 Entering Gaussian System, Link 0=/public3/home/sc70848/scripts/g16/g16
 Input=ph.gjf
 Output=ph.log
 Initial command:
 /public3/home/sc70848/scripts/g16/l1.exe "/public3/home/sc70848/scripts/tmp/Gau-21944.inp" -scrdir="/public3/home/sc70848/scripts/tmp/"
 Entering Link 1 = /public3/home/sc70848/scripts/g16/l1.exe PID=     21945.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
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 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
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 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                21-Jun-2022 
 ******************************************
 %nprocshared=64
 Will use up to   64 processors via shared memory.
 %mem=210GB
 %chk=ph.chk
 ---------------------------------------------
 # opt freq b3lyp/6-31g(d,p) geom=connectivity
 ---------------------------------------------
 1/18=20,19=15,26=3,38=1,57=2/1,3;
 2/9=110,12=2,17=6,18=5,40=1/2;
 3/5=1,6=6,7=101,11=2,25=1,30=1,71=1,74=-5/1,2,3;
 4//1;
 5/5=2,38=5/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7//1,2,3,16;
 1/18=20,19=15,26=3/3(2);
 2/9=110/2;
 99//99;
 2/9=110/2;
 3/5=1,6=6,7=101,11=2,25=1,30=1,71=1,74=-5/1,2,3;
 4/5=5,16=3,69=1/1;
 5/5=2,38=5/2;
 7//1,2,3,16;
 1/18=20,19=15,26=3/3(-5);
 2/9=110/2;
 6/7=2,8=2,9=2,10=2,19=2,28=1/1;
 99/9=1/99;
 -------------------
 Title Card Required
 -------------------
 Symbolic Z-matrix:
 Charge =  0 Multiplicity = 1
 C                    -3.8793    2.8077   -0.2307 
 C                    -3.7968    1.4659   -0.0857 
 C                    -2.6741    0.7195    0.0545 
 C                    -1.5026    1.3896    0.0621 
 C                    -1.537     2.7291   -0.0774 
 C                    -2.6785    3.4142   -0.2202 
 C                    -2.6596   -0.6337    0.1997 
 C                    -1.4784   -1.2765    0.3544 
 C                    -0.3044   -0.5993    0.3549 
 C                    -0.3262    0.7414    0.2082 
 C                    -3.7811   -1.3949    0.1877 
 C                    -3.868    -2.7361    0.3255 
 C                    -2.6674   -3.3198    0.4842 
 C                    -1.5282   -2.6158    0.4955 
 N                     0.8718   -1.1703    0.4837 
 C                     1.9594   -0.4474    0.495 
 C                     1.8685    0.8795    0.3576 
 N                     0.7385    1.4326    0.2394 
 C                     3.1847   -0.9779    0.6311 
 C                     4.2793   -0.2009    0.6287 
 C                     4.2341    1.1429    0.4936 
 C                     2.982     1.6371    0.3631 
 C                    -5.0493    3.4934   -0.3701 
 C                    -5.0358   -3.4388    0.3046 
 C                     5.3488    1.9252    0.4911 
 C                    -5.1004   -4.7851    0.358 
 C                    -6.25     -5.4815    0.3392 
 C                    -7.4781   -4.932     0.2559 
 C                    -7.405    -3.5871    0.2022 
 C                    -6.2618   -2.8807    0.2295 
 C                    -5.1269    4.8391   -0.4208 
 C                    -6.2782    5.5189   -0.5588 
 C                    -7.497     4.9511   -0.6552 
 C                    -7.4113    3.6068   -0.6038 
 C                    -6.2647    2.9173   -0.4749 
 C                     6.6051    1.4448    0.5865 
 C                     7.7029    2.2204    0.5875 
 C                     7.6922    3.5645    0.4832 
 C                     6.4327    4.035     0.3837 
 C                     5.3276    3.2698    0.3919 
 N                    -8.6003    5.607    -0.781 
 N                    -8.5791   -5.6035    0.2324 
 N                     8.7491    4.3037    0.4793 
 C                    -8.7704   -6.7919    0.6994 
 C                    -10.0392  -7.1874    0.4967 
 C                    -10.6454  -6.1706   -0.1135 
 C                    -9.707    -5.2201   -0.2658 
 C                    -9.7818    5.2029   -0.4523 
 C                    -10.7041   6.1416   -0.7271 
 C                    -10.0334   7.1737   -1.2354 
 C                    -8.7429    6.7978   -1.2595 
 C                     8.8657    5.4824   -0.035 
 C                     10.1073   5.9644    0.1479 
 C                     10.7766   5.0122    0.7951 
 C                     9.8996    4.0116    0.9873 
 C                    -11.916   -6.0667   -0.5251 
 C                    -12.2855  -4.9493   -1.1657 
 C                    -11.3678  -3.9999   -1.3993 
 C                    -10.1     -4.1421   -0.9746 
 C                    -8.0151   -7.6499    1.4151 
 C                    -8.4825   -8.8507    1.7995 
 C                    -9.7381   -9.2265    1.5165 
 C                    -10.5414  -8.373     0.867 
 C                    -10.4961   8.3563   -1.6623 
 C                    -9.6222    9.2282   -2.1833 
 C                    -8.3336    8.8728   -2.2889 
 C                    -7.9072    7.6743   -1.8532 
 C                    -10.2547   4.1112    0.183 
 C                    -11.5676   3.9459    0.4219 
 C                    -12.4576   4.8848    0.0694 
 C                    -12.0186   6.0149   -0.5013 
 C                     12.0518   5.004     1.2057 
 C                     12.4913   3.9372    1.8871 
 C                     11.6352   2.942     2.1603 
 C                     10.3604   2.9881    1.7351 
 C                     8.058     6.262    -0.7825 
 C                     8.449     7.4734   -1.2158 
 C                     9.6786    7.9382   -0.9515 
 C                     10.534    7.1634   -0.2707 
 H                     0.978    -2.1716    0.6894 
 H                    -4.7541    0.9485   -0.0594 
 H                    -0.6214    3.3449   -0.0882 
 H                    -2.5477    4.4999   -0.3367 
 H                    -4.7331   -0.8918    0.0294 
 H                    -2.5392   -4.4037    0.6206 
 H                    -0.6316   -3.2388    0.6301 
 H                     3.3064   -2.0694    0.7455 
 H                     5.2175   -0.7611    0.7512 
 H                     2.794     2.7143    0.2453 
 H                    -4.1984   -5.4149    0.3794 
 H                    -6.1082   -6.5698    0.2885 
 H                    -8.3109   -2.9663    0.24 
 H                    -6.4165   -1.791     0.226 
 H                    -4.2412    5.4822   -0.3078 
 H                    -6.1622    6.6084   -0.4783 
 H                    -8.2928    2.9738   -0.7752 
 H                    -6.4014    1.8256   -0.5041 
 H                     6.8184    0.3666    0.6366 
 H                     8.6447    1.655     0.5744 
 H                     6.2246    5.1137    0.3945 
 H                     4.388     3.8404    0.3436 
 H                    -12.6488  -6.8728   -0.365 
 H                    -13.3186  -4.8316   -1.5325 
 H                    -11.657   -3.1062   -1.9793 
 H                    -9.4205   -3.3437   -1.3001 
 H                    -7.0054   -7.4183    1.7784 
 H                    -7.8396   -9.5293    2.3867 
 H                    -10.1178  -10.2065   1.8501 
 H                    -11.5873  -8.6518    0.6659 
 H                    -11.5642   8.6182   -1.6092 
 H                    -9.9657    10.2065  -2.5584 
 H                    -7.6243    9.5667   -2.7727 
 H                    -6.8529    7.4608   -2.0719 
 H                    -9.6159    3.3187    0.594 
 H                    -11.9219   3.0414    0.9462 
 H                    -13.5303   4.748     0.2844 
 H                    -12.7337   6.8123   -0.7563 
 H                     12.7325   5.8474    1.0117 
 H                     13.5303   3.8985    2.254 
 H                     11.9806   2.091     2.7727 
 H                     9.7324    2.1619    2.093 
 H                     7.065     5.9531   -1.1338 
 H                     7.7646    8.0861   -1.828 
 H                     9.996     8.9258   -1.3253 
 H                     11.5606   7.5149   -0.0844 
 Cl                    1.0816   -1.9312   -2.2152 
 
 Add virtual bond connecting atoms Cl126      and N15        Dist= 5.31D+00.
 Add virtual bond connecting atoms Cl126      and H80        Dist= 5.51D+00.

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Initialization pass.
                           ----------------------------
                           !    Initial Parameters    !
                           ! (Angstroms and Degrees)  !
 --------------------------                            --------------------------
 ! Name  Definition              Value          Derivative Info.                !
 --------------------------------------------------------------------------------
 ! R1    R(1,2)                  1.3521         estimate D2E/DX2                !
 ! R2    R(1,6)                  1.3453         estimate D2E/DX2                !
 ! R3    R(1,23)                 1.3633         estimate D2E/DX2                !
 ! R4    R(2,3)                  1.3554         estimate D2E/DX2                !
 ! R5    R(2,81)                 1.0885         estimate D2E/DX2                !
 ! R6    R(3,4)                  1.3496         estimate D2E/DX2                !
 ! R7    R(3,7)                  1.361          estimate D2E/DX2                !
 ! R8    R(4,5)                  1.3472         estimate D2E/DX2                !
 ! R9    R(4,10)                 1.3511         estimate D2E/DX2                !
 ! R10   R(5,6)                  1.3389         estimate D2E/DX2                !
 ! R11   R(5,82)                 1.1035         estimate D2E/DX2                !
 ! R12   R(6,83)                 1.0997         estimate D2E/DX2                !
 ! R13   R(7,8)                  1.3536         estimate D2E/DX2                !
 ! R14   R(7,11)                 1.3555         estimate D2E/DX2                !
 ! R15   R(8,9)                  1.3553         estimate D2E/DX2                !
 ! R16   R(8,14)                 1.3476         estimate D2E/DX2                !
 ! R17   R(9,10)                 1.3489         estimate D2E/DX2                !
 ! R18   R(9,15)                 1.3138         estimate D2E/DX2                !
 ! R19   R(10,18)                1.2698         estimate D2E/DX2                !
 ! R20   R(11,12)                1.3511         estimate D2E/DX2                !
 ! R21   R(11,84)                1.0883         estimate D2E/DX2                !
 ! R22   R(12,13)                1.3444         estimate D2E/DX2                !
 ! R23   R(12,24)                1.3631         estimate D2E/DX2                !
 ! R24   R(13,14)                1.3392         estimate D2E/DX2                !
 ! R25   R(13,85)                1.0999         estimate D2E/DX2                !
 ! R26   R(14,86)                1.1001         estimate D2E/DX2                !
 ! R27   R(15,16)                1.306          estimate D2E/DX2                !
 ! R28   R(15,80)                1.0277         estimate D2E/DX2                !
 ! R29   R(15,126)               2.8119         estimate D2E/DX2                !
 ! R30   R(16,17)                1.3371         estimate D2E/DX2                !
 ! R31   R(16,19)                1.3421         estimate D2E/DX2                !
 ! R32   R(17,18)                1.2636         estimate D2E/DX2                !
 ! R33   R(17,22)                1.3468         estimate D2E/DX2                !
 ! R34   R(19,20)                1.3423         estimate D2E/DX2                !
 ! R35   R(19,87)                1.1042         estimate D2E/DX2                !
 ! R36   R(20,21)                1.3513         estimate D2E/DX2                !
 ! R37   R(20,88)                1.0996         estimate D2E/DX2                !
 ! R38   R(21,22)                1.3524         estimate D2E/DX2                !
 ! R39   R(21,25)                1.3618         estimate D2E/DX2                !
 ! R40   R(22,89)                1.0998         estimate D2E/DX2                !
 ! R41   R(23,31)                1.3489         estimate D2E/DX2                !
 ! R42   R(23,35)                1.3491         estimate D2E/DX2                !
 ! R43   R(24,26)                1.3489         estimate D2E/DX2                !
 ! R44   R(24,30)                1.3491         estimate D2E/DX2                !
 ! R45   R(25,36)                1.3484         estimate D2E/DX2                !
 ! R46   R(25,40)                1.3484         estimate D2E/DX2                !
 ! R47   R(26,27)                1.3442         estimate D2E/DX2                !
 ! R48   R(26,90)                1.1003         estimate D2E/DX2                !
 ! R49   R(27,28)                1.348          estimate D2E/DX2                !
 ! R50   R(27,91)                1.0987         estimate D2E/DX2                !
 ! R51   R(28,29)                1.348          estimate D2E/DX2                !
 ! R52   R(28,42)                1.2898         estimate D2E/DX2                !
 ! R53   R(29,30)                1.3441         estimate D2E/DX2                !
 ! R54   R(29,92)                1.0989         estimate D2E/DX2                !
 ! R55   R(30,93)                1.1006         estimate D2E/DX2                !
 ! R56   R(31,32)                1.3441         estimate D2E/DX2                !
 ! R57   R(31,94)                1.1004         estimate D2E/DX2                !
 ! R58   R(32,33)                1.348          estimate D2E/DX2                !
 ! R59   R(32,95)                1.0986         estimate D2E/DX2                !
 ! R60   R(33,34)                1.348          estimate D2E/DX2                !
 ! R61   R(33,41)                1.2897         estimate D2E/DX2                !
 ! R62   R(34,35)                1.3441         estimate D2E/DX2                !
 ! R63   R(34,96)                1.0987         estimate D2E/DX2                !
 ! R64   R(35,97)                1.1006         estimate D2E/DX2                !
 ! R65   R(36,37)                1.3441         estimate D2E/DX2                !
 ! R66   R(36,98)                1.1002         estimate D2E/DX2                !
 ! R67   R(37,38)                1.3482         estimate D2E/DX2                !
 ! R68   R(37,99)                1.0986         estimate D2E/DX2                !
 ! R69   R(38,39)                1.3482         estimate D2E/DX2                !
 ! R70   R(38,43)                1.2898         estimate D2E/DX2                !
 ! R71   R(39,40)                1.3442         estimate D2E/DX2                !
 ! R72   R(39,100)               1.0986         estimate D2E/DX2                !
 ! R73   R(40,101)               1.1003         estimate D2E/DX2                !
 ! R74   R(41,48)                1.2912         estimate D2E/DX2                !
 ! R75   R(41,51)                1.2912         estimate D2E/DX2                !
 ! R76   R(42,44)                1.2911         estimate D2E/DX2                !
 ! R77   R(42,47)                1.2913         estimate D2E/DX2                !
 ! R78   R(43,52)                1.2913         estimate D2E/DX2                !
 ! R79   R(43,55)                1.2911         estimate D2E/DX2                !
 ! R80   R(44,45)                1.3444         estimate D2E/DX2                !
 ! R81   R(44,60)                1.3487         estimate D2E/DX2                !
 ! R82   R(45,46)                1.3318         estimate D2E/DX2                !
 ! R83   R(45,63)                1.3398         estimate D2E/DX2                !
 ! R84   R(46,47)                1.3443         estimate D2E/DX2                !
 ! R85   R(46,56)                1.3396         estimate D2E/DX2                !
 ! R86   R(47,59)                1.3487         estimate D2E/DX2                !
 ! R87   R(48,49)                1.3444         estimate D2E/DX2                !
 ! R88   R(48,68)                1.3487         estimate D2E/DX2                !
 ! R89   R(49,50)                1.3317         estimate D2E/DX2                !
 ! R90   R(49,71)                1.3398         estimate D2E/DX2                !
 ! R91   R(50,51)                1.3443         estimate D2E/DX2                !
 ! R92   R(50,64)                1.3397         estimate D2E/DX2                !
 ! R93   R(51,67)                1.3487         estimate D2E/DX2                !
 ! R94   R(52,53)                1.3444         estimate D2E/DX2                !
 ! R95   R(52,76)                1.3487         estimate D2E/DX2                !
 ! R96   R(53,54)                1.3317         estimate D2E/DX2                !
 ! R97   R(53,79)                1.3397         estimate D2E/DX2                !
 ! R98   R(54,55)                1.3443         estimate D2E/DX2                !
 ! R99   R(54,72)                1.3397         estimate D2E/DX2                !
 ! R100  R(55,75)                1.3487         estimate D2E/DX2                !
 ! R101  R(56,57)                1.34           estimate D2E/DX2                !
 ! R102  R(56,102)               1.1011         estimate D2E/DX2                !
 ! R103  R(57,58)                1.3409         estimate D2E/DX2                !
 ! R104  R(57,103)               1.1026         estimate D2E/DX2                !
 ! R105  R(58,59)                1.3446         estimate D2E/DX2                !
 ! R106  R(58,104)               1.104          estimate D2E/DX2                !
 ! R107  R(59,105)               1.0978         estimate D2E/DX2                !
 ! R108  R(60,61)                1.3447         estimate D2E/DX2                !
 ! R109  R(60,106)               1.0978         estimate D2E/DX2                !
 ! R110  R(61,62)                1.3408         estimate D2E/DX2                !
 ! R111  R(61,107)               1.1039         estimate D2E/DX2                !
 ! R112  R(62,63)                1.34           estimate D2E/DX2                !
 ! R113  R(62,108)               1.1027         estimate D2E/DX2                !
 ! R114  R(63,109)               1.1009         estimate D2E/DX2                !
 ! R115  R(64,65)                1.3399         estimate D2E/DX2                !
 ! R116  R(64,110)               1.101          estimate D2E/DX2                !
 ! R117  R(65,66)                1.3409         estimate D2E/DX2                !
 ! R118  R(65,111)               1.1026         estimate D2E/DX2                !
 ! R119  R(66,67)                1.3446         estimate D2E/DX2                !
 ! R120  R(66,112)               1.1039         estimate D2E/DX2                !
 ! R121  R(67,113)               1.0977         estimate D2E/DX2                !
 ! R122  R(68,69)                1.3447         estimate D2E/DX2                !
 ! R123  R(68,114)               1.0977         estimate D2E/DX2                !
 ! R124  R(69,70)                1.3409         estimate D2E/DX2                !
 ! R125  R(69,115)               1.1039         estimate D2E/DX2                !
 ! R126  R(70,71)                1.34           estimate D2E/DX2                !
 ! R127  R(70,116)               1.1026         estimate D2E/DX2                !
 ! R128  R(71,117)               1.101          estimate D2E/DX2                !
 ! R129  R(72,73)                1.34           estimate D2E/DX2                !
 ! R130  R(72,118)               1.1011         estimate D2E/DX2                !
 ! R131  R(73,74)                1.3409         estimate D2E/DX2                !
 ! R132  R(73,119)               1.1026         estimate D2E/DX2                !
 ! R133  R(74,75)                1.3446         estimate D2E/DX2                !
 ! R134  R(74,120)               1.1039         estimate D2E/DX2                !
 ! R135  R(75,121)               1.0978         estimate D2E/DX2                !
 ! R136  R(76,77)                1.3447         estimate D2E/DX2                !
 ! R137  R(76,122)               1.0977         estimate D2E/DX2                !
 ! R138  R(77,78)                1.3408         estimate D2E/DX2                !
 ! R139  R(77,123)               1.1039         estimate D2E/DX2                !
 ! R140  R(78,79)                1.34           estimate D2E/DX2                !
 ! R141  R(78,124)               1.1026         estimate D2E/DX2                !
 ! R142  R(79,125)               1.101          estimate D2E/DX2                !
 ! R143  R(80,126)               2.9164         estimate D2E/DX2                !
 ! A1    A(2,1,6)              113.0841         estimate D2E/DX2                !
 ! A2    A(2,1,23)             124.2266         estimate D2E/DX2                !
 ! A3    A(6,1,23)             122.689          estimate D2E/DX2                !
 ! A4    A(1,2,3)              127.4516         estimate D2E/DX2                !
 ! A5    A(1,2,81)             114.8746         estimate D2E/DX2                !
 ! A6    A(3,2,81)             117.6589         estimate D2E/DX2                !
 ! A7    A(2,3,4)              116.4963         estimate D2E/DX2                !
 ! A8    A(2,3,7)              124.5659         estimate D2E/DX2                !
 ! A9    A(4,3,7)              118.9336         estimate D2E/DX2                !
 ! A10   A(3,4,5)              118.0945         estimate D2E/DX2                !
 ! A11   A(3,4,10)             121.211          estimate D2E/DX2                !
 ! A12   A(5,4,10)             120.6943         estimate D2E/DX2                !
 ! A13   A(4,5,6)              122.7903         estimate D2E/DX2                !
 ! A14   A(4,5,82)             122.3236         estimate D2E/DX2                !
 ! A15   A(6,5,82)             114.8852         estimate D2E/DX2                !
 ! A16   A(1,6,5)              122.0808         estimate D2E/DX2                !
 ! A17   A(1,6,83)             123.3947         estimate D2E/DX2                !
 ! A18   A(5,6,83)             114.5218         estimate D2E/DX2                !
 ! A19   A(3,7,8)              119.5786         estimate D2E/DX2                !
 ! A20   A(3,7,11)             123.2693         estimate D2E/DX2                !
 ! A21   A(8,7,11)             117.1498         estimate D2E/DX2                !
 ! A22   A(7,8,9)              121.241          estimate D2E/DX2                !
 ! A23   A(7,8,14)             116.8495         estimate D2E/DX2                !
 ! A24   A(9,8,14)             121.9072         estimate D2E/DX2                !
 ! A25   A(8,9,10)             118.8549         estimate D2E/DX2                !
 ! A26   A(8,9,15)             123.9431         estimate D2E/DX2                !
 ! A27   A(10,9,15)            117.2009         estimate D2E/DX2                !
 ! A28   A(4,10,9)             120.1779         estimate D2E/DX2                !
 ! A29   A(4,10,18)            118.1373         estimate D2E/DX2                !
 ! A30   A(9,10,18)            121.6565         estimate D2E/DX2                !
 ! A31   A(7,11,12)            127.5742         estimate D2E/DX2                !
 ! A32   A(7,11,84)            117.7379         estimate D2E/DX2                !
 ! A33   A(12,11,84)           114.6747         estimate D2E/DX2                !
 ! A34   A(11,12,13)           112.6817         estimate D2E/DX2                !
 ! A35   A(11,12,24)           124.4234         estimate D2E/DX2                !
 ! A36   A(13,12,24)           122.8946         estimate D2E/DX2                !
 ! A37   A(12,13,14)           122.1697         estimate D2E/DX2                !
 ! A38   A(12,13,85)           123.1322         estimate D2E/DX2                !
 ! A39   A(14,13,85)           114.697          estimate D2E/DX2                !
 ! A40   A(8,14,13)            123.5716         estimate D2E/DX2                !
 ! A41   A(8,14,86)            123.0603         estimate D2E/DX2                !
 ! A42   A(13,14,86)           113.368          estimate D2E/DX2                !
 ! A43   A(9,15,16)            120.3869         estimate D2E/DX2                !
 ! A44   A(9,15,80)            122.3834         estimate D2E/DX2                !
 ! A45   A(9,15,126)            95.1812         estimate D2E/DX2                !
 ! A46   A(16,15,80)           116.841          estimate D2E/DX2                !
 ! A47   A(16,15,126)           95.5062         estimate D2E/DX2                !
 ! A48   A(15,16,17)           119.4595         estimate D2E/DX2                !
 ! A49   A(15,16,19)           122.8456         estimate D2E/DX2                !
 ! A50   A(17,16,19)           117.6935         estimate D2E/DX2                !
 ! A51   A(16,17,18)           120.3163         estimate D2E/DX2                !
 ! A52   A(16,17,22)           120.1063         estimate D2E/DX2                !
 ! A53   A(18,17,22)           119.571          estimate D2E/DX2                !
 ! A54   A(10,18,17)           120.9209         estimate D2E/DX2                !
 ! A55   A(16,19,20)           121.0295         estimate D2E/DX2                !
 ! A56   A(16,19,87)           120.1222         estimate D2E/DX2                !
 ! A57   A(20,19,87)           118.8481         estimate D2E/DX2                !
 ! A58   A(19,20,21)           123.2653         estimate D2E/DX2                !
 ! A59   A(19,20,88)           113.6199         estimate D2E/DX2                !
 ! A60   A(21,20,88)           123.1143         estimate D2E/DX2                !
 ! A61   A(20,21,22)           113.8284         estimate D2E/DX2                !
 ! A62   A(20,21,25)           122.9601         estimate D2E/DX2                !
 ! A63   A(22,21,25)           123.2114         estimate D2E/DX2                !
 ! A64   A(17,22,21)           124.0757         estimate D2E/DX2                !
 ! A65   A(17,22,89)           114.1539         estimate D2E/DX2                !
 ! A66   A(21,22,89)           121.7696         estimate D2E/DX2                !
 ! A67   A(1,23,31)            123.7112         estimate D2E/DX2                !
 ! A68   A(1,23,35)            124.4949         estimate D2E/DX2                !
 ! A69   A(31,23,35)           111.7939         estimate D2E/DX2                !
 ! A70   A(12,24,26)           123.7073         estimate D2E/DX2                !
 ! A71   A(12,24,30)           124.4811         estimate D2E/DX2                !
 ! A72   A(26,24,30)           111.8115         estimate D2E/DX2                !
 ! A73   A(21,25,36)           123.9063         estimate D2E/DX2                !
 ! A74   A(21,25,40)           124.062          estimate D2E/DX2                !
 ! A75   A(36,25,40)           112.0316         estimate D2E/DX2                !
 ! A76   A(24,26,27)           123.8814         estimate D2E/DX2                !
 ! A77   A(24,26,90)           122.1937         estimate D2E/DX2                !
 ! A78   A(27,26,90)           113.8795         estimate D2E/DX2                !
 ! A79   A(26,27,28)           124.6685         estimate D2E/DX2                !
 ! A80   A(26,27,91)           113.794          estimate D2E/DX2                !
 ! A81   A(28,27,91)           121.2334         estimate D2E/DX2                !
 ! A82   A(27,28,29)           111.0861         estimate D2E/DX2                !
 ! A83   A(27,28,42)           124.5118         estimate D2E/DX2                !
 ! A84   A(29,28,42)           124.402          estimate D2E/DX2                !
 ! A85   A(28,29,30)           124.7274         estimate D2E/DX2                !
 ! A86   A(28,29,92)           121.171          estimate D2E/DX2                !
 ! A87   A(30,29,92)           113.8012         estimate D2E/DX2                !
 ! A88   A(24,30,29)           123.8221         estimate D2E/DX2                !
 ! A89   A(24,30,93)           122.5112         estimate D2E/DX2                !
 ! A90   A(29,30,93)           113.6231         estimate D2E/DX2                !
 ! A91   A(23,31,32)           123.8967         estimate D2E/DX2                !
 ! A92   A(23,31,94)           122.2012         estimate D2E/DX2                !
 ! A93   A(32,31,94)           113.8536         estimate D2E/DX2                !
 ! A94   A(31,32,33)           124.6629         estimate D2E/DX2                !
 ! A95   A(31,32,95)           113.8034         estimate D2E/DX2                !
 ! A96   A(33,32,95)           121.2265         estimate D2E/DX2                !
 ! A97   A(32,33,34)           111.0906         estimate D2E/DX2                !
 ! A98   A(32,33,41)           124.4878         estimate D2E/DX2                !
 ! A99   A(34,33,41)           124.4216         estimate D2E/DX2                !
 ! A100  A(33,34,35)           124.7114         estimate D2E/DX2                !
 ! A101  A(33,34,96)           121.1715         estimate D2E/DX2                !
 ! A102  A(35,34,96)           113.8177         estimate D2E/DX2                !
 ! A103  A(23,35,34)           123.8414         estimate D2E/DX2                !
 ! A104  A(23,35,97)           122.5152         estimate D2E/DX2                !
 ! A105  A(34,35,97)           113.5981         estimate D2E/DX2                !
 ! A106  A(25,36,37)           123.7396         estimate D2E/DX2                !
 ! A107  A(25,36,98)           122.2075         estimate D2E/DX2                !
 ! A108  A(37,36,98)           114.0224         estimate D2E/DX2                !
 ! A109  A(36,37,38)           124.662          estimate D2E/DX2                !
 ! A110  A(36,37,99)           113.7782         estimate D2E/DX2                !
 ! A111  A(38,37,99)           121.2649         estimate D2E/DX2                !
 ! A112  A(37,38,39)           111.1649         estimate D2E/DX2                !
 ! A113  A(37,38,43)           124.4111         estimate D2E/DX2                !
 ! A114  A(39,38,43)           124.424          estimate D2E/DX2                !
 ! A115  A(38,39,40)           124.6758         estimate D2E/DX2                !
 ! A116  A(38,39,100)          121.2573         estimate D2E/DX2                !
 ! A117  A(40,39,100)          113.7751         estimate D2E/DX2                !
 ! A118  A(25,40,39)           123.7228         estimate D2E/DX2                !
 ! A119  A(25,40,101)          122.2591         estimate D2E/DX2                !
 ! A120  A(39,40,101)          113.9889         estimate D2E/DX2                !
 ! A121  A(33,41,48)           126.7828         estimate D2E/DX2                !
 ! A122  A(33,41,51)           126.8437         estimate D2E/DX2                !
 ! A123  A(48,41,51)           106.3734         estimate D2E/DX2                !
 ! A124  A(28,42,44)           126.8039         estimate D2E/DX2                !
 ! A125  A(28,42,47)           126.731          estimate D2E/DX2                !
 ! A126  A(44,42,47)           106.465          estimate D2E/DX2                !
 ! A127  A(38,43,52)           126.7524         estimate D2E/DX2                !
 ! A128  A(38,43,55)           126.8231         estimate D2E/DX2                !
 ! A129  A(52,43,55)           106.4245         estimate D2E/DX2                !
 ! A130  A(42,44,45)           110.8599         estimate D2E/DX2                !
 ! A131  A(42,44,60)           133.991          estimate D2E/DX2                !
 ! A132  A(45,44,60)           114.9235         estimate D2E/DX2                !
 ! A133  A(44,45,46)           105.9059         estimate D2E/DX2                !
 ! A134  A(44,45,63)           124.9199         estimate D2E/DX2                !
 ! A135  A(46,45,63)           129.1713         estimate D2E/DX2                !
 ! A136  A(45,46,47)           105.9016         estimate D2E/DX2                !
 ! A137  A(45,46,56)           129.1757         estimate D2E/DX2                !
 ! A138  A(47,46,56)           124.9192         estimate D2E/DX2                !
 ! A139  A(42,47,46)           110.8599         estimate D2E/DX2                !
 ! A140  A(42,47,59)           133.9977         estimate D2E/DX2                !
 ! A141  A(46,47,59)           114.9149         estimate D2E/DX2                !
 ! A142  A(41,48,49)           110.9278         estimate D2E/DX2                !
 ! A143  A(41,48,68)           133.9522         estimate D2E/DX2                !
 ! A144  A(49,48,68)           114.8928         estimate D2E/DX2                !
 ! A145  A(48,49,50)           105.882          estimate D2E/DX2                !
 ! A146  A(48,49,71)           124.934          estimate D2E/DX2                !
 ! A147  A(50,49,71)           129.1807         estimate D2E/DX2                !
 ! A148  A(49,50,51)           105.8787         estimate D2E/DX2                !
 ! A149  A(49,50,64)           129.1835         estimate D2E/DX2                !
 ! A150  A(51,50,64)           124.9347         estimate D2E/DX2                !
 ! A151  A(41,51,50)           110.9305         estimate D2E/DX2                !
 ! A152  A(41,51,67)           133.9479         estimate D2E/DX2                !
 ! A153  A(50,51,67)           114.896          estimate D2E/DX2                !
 ! A154  A(43,52,53)           110.884          estimate D2E/DX2                !
 ! A155  A(43,52,76)           133.973          estimate D2E/DX2                !
 ! A156  A(53,52,76)           114.914          estimate D2E/DX2                !
 ! A157  A(52,53,54)           105.8977         estimate D2E/DX2                !
 ! A158  A(52,53,79)           124.9251         estimate D2E/DX2                !
 ! A159  A(54,53,79)           129.1737         estimate D2E/DX2                !
 ! A160  A(53,54,55)           105.8905         estimate D2E/DX2                !
 ! A161  A(53,54,72)           129.176          estimate D2E/DX2                !
 ! A162  A(55,54,72)           124.9303         estimate D2E/DX2                !
 ! A163  A(43,55,54)           110.8955         estimate D2E/DX2                !
 ! A164  A(43,55,75)           133.9687         estimate D2E/DX2                !
 ! A165  A(54,55,75)           114.9108         estimate D2E/DX2                !
 ! A166  A(46,56,57)           118.2362         estimate D2E/DX2                !
 ! A167  A(46,56,102)          121.9895         estimate D2E/DX2                !
 ! A168  A(57,56,102)          119.7677         estimate D2E/DX2                !
 ! A169  A(56,57,58)           119.0114         estimate D2E/DX2                !
 ! A170  A(56,57,103)          120.427          estimate D2E/DX2                !
 ! A171  A(58,57,103)          120.5115         estimate D2E/DX2                !
 ! A172  A(57,58,59)           121.0235         estimate D2E/DX2                !
 ! A173  A(57,58,104)          119.0391         estimate D2E/DX2                !
 ! A174  A(59,58,104)          119.9052         estimate D2E/DX2                !
 ! A175  A(47,59,58)           121.6877         estimate D2E/DX2                !
 ! A176  A(47,59,105)          123.8338         estimate D2E/DX2                !
 ! A177  A(58,59,105)          114.3972         estimate D2E/DX2                !
 ! A178  A(44,60,61)           121.6789         estimate D2E/DX2                !
 ! A179  A(44,60,106)          123.8148         estimate D2E/DX2                !
 ! A180  A(61,60,106)          114.4247         estimate D2E/DX2                !
 ! A181  A(60,61,62)           121.0272         estimate D2E/DX2                !
 ! A182  A(60,61,107)          119.906          estimate D2E/DX2                !
 ! A183  A(62,61,107)          119.0348         estimate D2E/DX2                !
 ! A184  A(61,62,63)           119.0225         estimate D2E/DX2                !
 ! A185  A(61,62,108)          120.5106         estimate D2E/DX2                !
 ! A186  A(63,62,108)          120.4176         estimate D2E/DX2                !
 ! A187  A(45,63,62)           118.2231         estimate D2E/DX2                !
 ! A188  A(45,63,109)          121.986          estimate D2E/DX2                !
 ! A189  A(62,63,109)          119.7848         estimate D2E/DX2                !
 ! A190  A(50,64,65)           118.2321         estimate D2E/DX2                !
 ! A191  A(50,64,110)          121.9815         estimate D2E/DX2                !
 ! A192  A(65,64,110)          119.7802         estimate D2E/DX2                !
 ! A193  A(64,65,66)           119.008          estimate D2E/DX2                !
 ! A194  A(64,65,111)          120.4272         estimate D2E/DX2                !
 ! A195  A(66,65,111)          120.5148         estimate D2E/DX2                !
 ! A196  A(65,66,67)           121.0291         estimate D2E/DX2                !
 ! A197  A(65,66,112)          119.0375         estimate D2E/DX2                !
 ! A198  A(67,66,112)          119.9016         estimate D2E/DX2                !
 ! A199  A(51,67,66)           121.6938         estimate D2E/DX2                !
 ! A200  A(51,67,113)          123.8081         estimate D2E/DX2                !
 ! A201  A(66,67,113)          114.4169         estimate D2E/DX2                !
 ! A202  A(48,68,69)           121.7046         estimate D2E/DX2                !
 ! A203  A(48,68,114)          123.8264         estimate D2E/DX2                !
 ! A204  A(69,68,114)          114.3878         estimate D2E/DX2                !
 ! A205  A(68,69,70)           121.0171         estimate D2E/DX2                !
 ! A206  A(68,69,115)          119.9003         estimate D2E/DX2                !
 ! A207  A(70,69,115)          119.0505         estimate D2E/DX2                !
 ! A208  A(69,70,71)           119.0163         estimate D2E/DX2                !
 ! A209  A(69,70,116)          120.5066         estimate D2E/DX2                !
 ! A210  A(71,70,116)          120.427          estimate D2E/DX2                !
 ! A211  A(49,71,70)           118.2278         estimate D2E/DX2                !
 ! A212  A(49,71,117)          121.9866         estimate D2E/DX2                !
 ! A213  A(70,71,117)          119.7792         estimate D2E/DX2                !
 ! A214  A(54,72,73)           118.2245         estimate D2E/DX2                !
 ! A215  A(54,72,118)          121.9901         estimate D2E/DX2                !
 ! A216  A(73,72,118)          119.7794         estimate D2E/DX2                !
 ! A217  A(72,73,74)           119.0183         estimate D2E/DX2                !
 ! A218  A(72,73,119)          120.4143         estimate D2E/DX2                !
 ! A219  A(74,73,119)          120.5176         estimate D2E/DX2                !
 ! A220  A(73,74,75)           121.026          estimate D2E/DX2                !
 ! A221  A(73,74,120)          119.0411         estimate D2E/DX2                !
 ! A222  A(75,74,120)          119.9014         estimate D2E/DX2                !
 ! A223  A(55,75,74)           121.6853         estimate D2E/DX2                !
 ! A224  A(55,75,121)          123.8104         estimate D2E/DX2                !
 ! A225  A(74,75,121)          114.4226         estimate D2E/DX2                !
 ! A226  A(52,76,77)           121.683          estimate D2E/DX2                !
 ! A227  A(52,76,122)          123.8134         estimate D2E/DX2                !
 ! A228  A(77,76,122)          114.4215         estimate D2E/DX2                !
 ! A229  A(76,77,78)           121.0267         estimate D2E/DX2                !
 ! A230  A(76,77,123)          119.8977         estimate D2E/DX2                !
 ! A231  A(78,77,123)          119.0432         estimate D2E/DX2                !
 ! A232  A(77,78,79)           119.0208         estimate D2E/DX2                !
 ! A233  A(77,78,124)          120.5065         estimate D2E/DX2                !
 ! A234  A(79,78,124)          120.4226         estimate D2E/DX2                !
 ! A235  A(53,79,78)           118.2233         estimate D2E/DX2                !
 ! A236  A(53,79,125)          121.9938         estimate D2E/DX2                !
 ! A237  A(78,79,125)          119.7761         estimate D2E/DX2                !
 ! D1    D(6,1,2,3)             -0.3486         estimate D2E/DX2                !
 ! D2    D(6,1,2,81)           178.2062         estimate D2E/DX2                !
 ! D3    D(23,1,2,3)           179.8517         estimate D2E/DX2                !
 ! D4    D(23,1,2,81)           -1.5935         estimate D2E/DX2                !
 ! D5    D(2,1,6,5)             -0.0624         estimate D2E/DX2                !
 ! D6    D(2,1,6,83)           179.2994         estimate D2E/DX2                !
 ! D7    D(23,1,6,5)           179.7409         estimate D2E/DX2                !
 ! D8    D(23,1,6,83)           -0.8973         estimate D2E/DX2                !
 ! D9    D(2,1,23,31)          175.2069         estimate D2E/DX2                !
 ! D10   D(2,1,23,35)           -4.8478         estimate D2E/DX2                !
 ! D11   D(6,1,23,31)           -4.5742         estimate D2E/DX2                !
 ! D12   D(6,1,23,35)          175.3711         estimate D2E/DX2                !
 ! D13   D(1,2,3,4)              0.6104         estimate D2E/DX2                !
 ! D14   D(1,2,3,7)            179.8595         estimate D2E/DX2                !
 ! D15   D(81,2,3,4)          -177.9093         estimate D2E/DX2                !
 ! D16   D(81,2,3,7)             1.3398         estimate D2E/DX2                !
 ! D17   D(2,3,4,5)             -0.4395         estimate D2E/DX2                !
 ! D18   D(2,3,4,10)           179.4082         estimate D2E/DX2                !
 ! D19   D(7,3,4,5)           -179.733          estimate D2E/DX2                !
 ! D20   D(7,3,4,10)             0.1148         estimate D2E/DX2                !
 ! D21   D(2,3,7,8)           -178.9174         estimate D2E/DX2                !
 ! D22   D(2,3,7,11)             1.6448         estimate D2E/DX2                !
 ! D23   D(4,3,7,8)              0.3148         estimate D2E/DX2                !
 ! D24   D(4,3,7,11)          -179.1231         estimate D2E/DX2                !
 ! D25   D(3,4,5,6)              0.0867         estimate D2E/DX2                !
 ! D26   D(3,4,5,82)          -179.5544         estimate D2E/DX2                !
 ! D27   D(10,4,5,6)          -179.7619         estimate D2E/DX2                !
 ! D28   D(10,4,5,82)            0.597          estimate D2E/DX2                !
 ! D29   D(3,4,10,9)            -0.2306         estimate D2E/DX2                !
 ! D30   D(3,4,10,18)         -178.3287         estimate D2E/DX2                !
 ! D31   D(5,4,10,9)           179.6132         estimate D2E/DX2                !
 ! D32   D(5,4,10,18)            1.5151         estimate D2E/DX2                !
 ! D33   D(4,5,6,1)              0.183          estimate D2E/DX2                !
 ! D34   D(4,5,6,83)          -179.2314         estimate D2E/DX2                !
 ! D35   D(82,5,6,1)           179.8487         estimate D2E/DX2                !
 ! D36   D(82,5,6,83)            0.4344         estimate D2E/DX2                !
 ! D37   D(3,7,8,9)             -0.6409         estimate D2E/DX2                !
 ! D38   D(3,7,8,14)           179.902          estimate D2E/DX2                !
 ! D39   D(11,7,8,9)           178.8309         estimate D2E/DX2                !
 ! D40   D(11,7,8,14)           -0.6262         estimate D2E/DX2                !
 ! D41   D(3,7,11,12)         -179.8788         estimate D2E/DX2                !
 ! D42   D(3,7,11,84)            1.5221         estimate D2E/DX2                !
 ! D43   D(8,7,11,12)            0.6706         estimate D2E/DX2                !
 ! D44   D(8,7,11,84)         -177.9285         estimate D2E/DX2                !
 ! D45   D(7,8,9,10)             0.5238         estimate D2E/DX2                !
 ! D46   D(7,8,9,15)          -179.1038         estimate D2E/DX2                !
 ! D47   D(14,8,9,10)          179.9532         estimate D2E/DX2                !
 ! D48   D(14,8,9,15)            0.3256         estimate D2E/DX2                !
 ! D49   D(7,8,14,13)            0.2615         estimate D2E/DX2                !
 ! D50   D(7,8,14,86)         -179.841          estimate D2E/DX2                !
 ! D51   D(9,8,14,13)         -179.1917         estimate D2E/DX2                !
 ! D52   D(9,8,14,86)            0.7058         estimate D2E/DX2                !
 ! D53   D(8,9,10,4)            -0.0866         estimate D2E/DX2                !
 ! D54   D(8,9,10,18)          177.943          estimate D2E/DX2                !
 ! D55   D(15,9,10,4)          179.566          estimate D2E/DX2                !
 ! D56   D(15,9,10,18)          -2.4043         estimate D2E/DX2                !
 ! D57   D(8,9,15,16)         -178.9572         estimate D2E/DX2                !
 ! D58   D(8,9,15,80)           -6.3424         estimate D2E/DX2                !
 ! D59   D(8,9,15,126)          81.5536         estimate D2E/DX2                !
 ! D60   D(10,9,15,16)           1.4095         estimate D2E/DX2                !
 ! D61   D(10,9,15,80)         174.0244         estimate D2E/DX2                !
 ! D62   D(10,9,15,126)        -98.0797         estimate D2E/DX2                !
 ! D63   D(4,10,18,17)        -179.126          estimate D2E/DX2                !
 ! D64   D(9,10,18,17)           2.8055         estimate D2E/DX2                !
 ! D65   D(7,11,12,13)          -0.2502         estimate D2E/DX2                !
 ! D66   D(7,11,12,24)         179.9331         estimate D2E/DX2                !
 ! D67   D(84,11,12,13)        178.3853         estimate D2E/DX2                !
 ! D68   D(84,11,12,24)         -1.4314         estimate D2E/DX2                !
 ! D69   D(11,12,13,14)         -0.1779         estimate D2E/DX2                !
 ! D70   D(11,12,13,85)        179.4318         estimate D2E/DX2                !
 ! D71   D(24,12,13,14)        179.6421         estimate D2E/DX2                !
 ! D72   D(24,12,13,85)         -0.7483         estimate D2E/DX2                !
 ! D73   D(11,12,24,26)        175.6042         estimate D2E/DX2                !
 ! D74   D(11,12,24,30)         -4.4427         estimate D2E/DX2                !
 ! D75   D(13,12,24,26)         -4.1944         estimate D2E/DX2                !
 ! D76   D(13,12,24,30)        175.7587         estimate D2E/DX2                !
 ! D77   D(12,13,14,8)           0.1669         estimate D2E/DX2                !
 ! D78   D(12,13,14,86)       -179.7395         estimate D2E/DX2                !
 ! D79   D(85,13,14,8)        -179.4732         estimate D2E/DX2                !
 ! D80   D(85,13,14,86)          0.6203         estimate D2E/DX2                !
 ! D81   D(9,15,16,17)          -0.8268         estimate D2E/DX2                !
 ! D82   D(9,15,16,19)         179.6228         estimate D2E/DX2                !
 ! D83   D(80,15,16,17)       -173.8392         estimate D2E/DX2                !
 ! D84   D(80,15,16,19)          6.6105         estimate D2E/DX2                !
 ! D85   D(126,15,16,17)        98.4787         estimate D2E/DX2                !
 ! D86   D(126,15,16,19)       -81.0717         estimate D2E/DX2                !
 ! D87   D(15,16,17,18)          1.1374         estimate D2E/DX2                !
 ! D88   D(15,16,17,22)       -179.7877         estimate D2E/DX2                !
 ! D89   D(19,16,17,18)       -179.2893         estimate D2E/DX2                !
 ! D90   D(19,16,17,22)         -0.2144         estimate D2E/DX2                !
 ! D91   D(15,16,19,20)        179.543          estimate D2E/DX2                !
 ! D92   D(15,16,19,87)         -0.3333         estimate D2E/DX2                !
 ! D93   D(17,16,19,20)         -0.0149         estimate D2E/DX2                !
 ! D94   D(17,16,19,87)       -179.8911         estimate D2E/DX2                !
 ! D95   D(16,17,18,10)         -2.1292         estimate D2E/DX2                !
 ! D96   D(22,17,18,10)        178.791          estimate D2E/DX2                !
 ! D97   D(16,17,22,21)          0.428          estimate D2E/DX2                !
 ! D98   D(16,17,22,89)       -179.8883         estimate D2E/DX2                !
 ! D99   D(18,17,22,21)        179.5098         estimate D2E/DX2                !
 ! D100  D(18,17,22,89)         -0.8065         estimate D2E/DX2                !
 ! D101  D(16,19,20,21)          0.0589         estimate D2E/DX2                !
 ! D102  D(16,19,20,88)        179.8291         estimate D2E/DX2                !
 ! D103  D(87,19,20,21)        179.9367         estimate D2E/DX2                !
 ! D104  D(87,19,20,88)         -0.2931         estimate D2E/DX2                !
 ! D105  D(19,20,21,22)          0.122          estimate D2E/DX2                !
 ! D106  D(19,20,21,25)       -179.9533         estimate D2E/DX2                !
 ! D107  D(88,20,21,22)       -179.6267         estimate D2E/DX2                !
 ! D108  D(88,20,21,25)          0.298          estimate D2E/DX2                !
 ! D109  D(20,21,22,17)         -0.3653         estimate D2E/DX2                !
 ! D110  D(20,21,22,89)        179.9742         estimate D2E/DX2                !
 ! D111  D(25,21,22,17)        179.7102         estimate D2E/DX2                !
 ! D112  D(25,21,22,89)          0.0497         estimate D2E/DX2                !
 ! D113  D(20,21,25,36)          1.8134         estimate D2E/DX2                !
 ! D114  D(20,21,25,40)       -178.2488         estimate D2E/DX2                !
 ! D115  D(22,21,25,36)       -178.269          estimate D2E/DX2                !
 ! D116  D(22,21,25,40)          1.6688         estimate D2E/DX2                !
 ! D117  D(1,23,31,32)         179.9659         estimate D2E/DX2                !
 ! D118  D(1,23,31,94)          -2.7258         estimate D2E/DX2                !
 ! D119  D(35,23,31,32)          0.0146         estimate D2E/DX2                !
 ! D120  D(35,23,31,94)        177.3228         estimate D2E/DX2                !
 ! D121  D(1,23,35,34)         179.5786         estimate D2E/DX2                !
 ! D122  D(1,23,35,97)          -3.0282         estimate D2E/DX2                !
 ! D123  D(31,23,35,34)         -0.4704         estimate D2E/DX2                !
 ! D124  D(31,23,35,97)        176.9227         estimate D2E/DX2                !
 ! D125  D(12,24,26,27)        179.919          estimate D2E/DX2                !
 ! D126  D(12,24,26,90)         -2.6834         estimate D2E/DX2                !
 ! D127  D(30,24,26,27)         -0.0393         estimate D2E/DX2                !
 ! D128  D(30,24,26,90)        177.3583         estimate D2E/DX2                !
 ! D129  D(12,24,30,29)        179.6108         estimate D2E/DX2                !
 ! D130  D(12,24,30,93)         -2.9463         estimate D2E/DX2                !
 ! D131  D(26,24,30,29)         -0.4313         estimate D2E/DX2                !
 ! D132  D(26,24,30,93)        177.0116         estimate D2E/DX2                !
 ! D133  D(21,25,36,37)       -179.8042         estimate D2E/DX2                !
 ! D134  D(21,25,36,98)          2.3284         estimate D2E/DX2                !
 ! D135  D(40,25,36,37)          0.2514         estimate D2E/DX2                !
 ! D136  D(40,25,36,98)       -177.616          estimate D2E/DX2                !
 ! D137  D(21,25,40,39)       -179.6693         estimate D2E/DX2                !
 ! D138  D(21,25,40,101)         2.4168         estimate D2E/DX2                !
 ! D139  D(36,25,40,39)          0.275          estimate D2E/DX2                !
 ! D140  D(36,25,40,101)      -177.6389         estimate D2E/DX2                !
 ! D141  D(24,26,27,28)          0.4814         estimate D2E/DX2                !
 ! D142  D(24,26,27,91)        174.1903         estimate D2E/DX2                !
 ! D143  D(90,26,27,28)       -177.1103         estimate D2E/DX2                !
 ! D144  D(90,26,27,91)         -3.4014         estimate D2E/DX2                !
 ! D145  D(26,27,28,29)         -0.3941         estimate D2E/DX2                !
 ! D146  D(26,27,28,42)        179.6925         estimate D2E/DX2                !
 ! D147  D(91,27,28,29)       -173.66           estimate D2E/DX2                !
 ! D148  D(91,27,28,42)          6.4266         estimate D2E/DX2                !
 ! D149  D(27,28,29,30)         -0.0837         estimate D2E/DX2                !
 ! D150  D(27,28,29,92)       -173.3921         estimate D2E/DX2                !
 ! D151  D(42,28,29,30)        179.8298         estimate D2E/DX2                !
 ! D152  D(42,28,29,92)          6.5214         estimate D2E/DX2                !
 ! D153  D(27,28,42,44)         24.1572         estimate D2E/DX2                !
 ! D154  D(27,28,42,47)       -155.6847         estimate D2E/DX2                !
 ! D155  D(29,28,42,44)       -155.7448         estimate D2E/DX2                !
 ! D156  D(29,28,42,47)         24.4133         estimate D2E/DX2                !
 ! D157  D(28,29,30,24)          0.5255         estimate D2E/DX2                !
 ! D158  D(28,29,30,93)       -177.121          estimate D2E/DX2                !
 ! D159  D(92,29,30,24)        174.2696         estimate D2E/DX2                !
 ! D160  D(92,29,30,93)         -3.377          estimate D2E/DX2                !
 ! D161  D(23,31,32,33)          0.4465         estimate D2E/DX2                !
 ! D162  D(23,31,32,95)        174.1243         estimate D2E/DX2                !
 ! D163  D(94,31,32,33)       -177.0632         estimate D2E/DX2                !
 ! D164  D(94,31,32,95)         -3.3854         estimate D2E/DX2                !
 ! D165  D(31,32,33,34)         -0.3989         estimate D2E/DX2                !
 ! D166  D(31,32,33,41)        179.6452         estimate D2E/DX2                !
 ! D167  D(95,32,33,34)       -173.6325         estimate D2E/DX2                !
 ! D168  D(95,32,33,41)          6.4116         estimate D2E/DX2                !
 ! D169  D(32,33,34,35)         -0.0637         estimate D2E/DX2                !
 ! D170  D(32,33,34,96)       -173.3838         estimate D2E/DX2                !
 ! D171  D(41,33,34,35)        179.8922         estimate D2E/DX2                !
 ! D172  D(41,33,34,96)          6.5721         estimate D2E/DX2                !
 ! D173  D(32,33,41,48)       -155.7439         estimate D2E/DX2                !
 ! D174  D(32,33,41,51)         24.2062         estimate D2E/DX2                !
 ! D175  D(34,33,41,48)         24.306          estimate D2E/DX2                !
 ! D176  D(34,33,41,51)       -155.7438         estimate D2E/DX2                !
 ! D177  D(33,34,35,23)          0.5287         estimate D2E/DX2                !
 ! D178  D(33,34,35,97)       -177.0726         estimate D2E/DX2                !
 ! D179  D(96,34,35,23)        174.283          estimate D2E/DX2                !
 ! D180  D(96,34,35,97)         -3.3183         estimate D2E/DX2                !
 ! D181  D(25,36,37,38)         -0.5745         estimate D2E/DX2                !
 ! D182  D(25,36,37,99)       -174.3825         estimate D2E/DX2                !
 ! D183  D(98,36,37,38)        177.45           estimate D2E/DX2                !
 ! D184  D(98,36,37,99)          3.642          estimate D2E/DX2                !
 ! D185  D(36,37,38,39)          0.2998         estimate D2E/DX2                !
 ! D186  D(36,37,38,43)       -179.7083         estimate D2E/DX2                !
 ! D187  D(99,37,38,39)        173.6688         estimate D2E/DX2                !
 ! D188  D(99,37,38,43)         -6.3393         estimate D2E/DX2                !
 ! D189  D(37,38,39,40)          0.2354         estimate D2E/DX2                !
 ! D190  D(37,38,39,100)       173.6378         estimate D2E/DX2                !
 ! D191  D(43,38,39,40)       -179.7566         estimate D2E/DX2                !
 ! D192  D(43,38,39,100)        -6.3542         estimate D2E/DX2                !
 ! D193  D(37,38,43,52)        155.6027         estimate D2E/DX2                !
 ! D194  D(37,38,43,55)        -24.3277         estimate D2E/DX2                !
 ! D195  D(39,38,43,52)        -24.4064         estimate D2E/DX2                !
 ! D196  D(39,38,43,55)        155.6631         estimate D2E/DX2                !
 ! D197  D(38,39,40,25)         -0.5513         estimate D2E/DX2                !
 ! D198  D(38,39,40,101)       177.5179         estimate D2E/DX2                !
 ! D199  D(100,39,40,25)      -174.3901         estimate D2E/DX2                !
 ! D200  D(100,39,40,101)        3.6791         estimate D2E/DX2                !
 ! D201  D(33,41,48,49)       -179.744          estimate D2E/DX2                !
 ! D202  D(33,41,48,68)          6.183          estimate D2E/DX2                !
 ! D203  D(51,41,48,49)          0.2976         estimate D2E/DX2                !
 ! D204  D(51,41,48,68)       -173.7754         estimate D2E/DX2                !
 ! D205  D(33,41,51,50)       -179.6777         estimate D2E/DX2                !
 ! D206  D(33,41,51,67)          6.2274         estimate D2E/DX2                !
 ! D207  D(48,41,51,50)          0.2807         estimate D2E/DX2                !
 ! D208  D(48,41,51,67)       -173.8142         estimate D2E/DX2                !
 ! D209  D(28,42,44,45)       -179.624          estimate D2E/DX2                !
 ! D210  D(28,42,44,60)          6.2809         estimate D2E/DX2                !
 ! D211  D(47,42,44,45)          0.2439         estimate D2E/DX2                !
 ! D212  D(47,42,44,60)       -173.8513         estimate D2E/DX2                !
 ! D213  D(28,42,47,46)       -179.8            estimate D2E/DX2                !
 ! D214  D(28,42,47,59)          6.13           estimate D2E/DX2                !
 ! D215  D(44,42,47,46)          0.3321         estimate D2E/DX2                !
 ! D216  D(44,42,47,59)       -173.738          estimate D2E/DX2                !
 ! D217  D(38,43,52,53)        179.7418         estimate D2E/DX2                !
 ! D218  D(38,43,52,76)         -6.2066         estimate D2E/DX2                !
 ! D219  D(55,43,52,53)         -0.3162         estimate D2E/DX2                !
 ! D220  D(55,43,52,76)        173.7354         estimate D2E/DX2                !
 ! D221  D(38,43,55,54)        179.6782         estimate D2E/DX2                !
 ! D222  D(38,43,55,75)         -6.2201         estimate D2E/DX2                !
 ! D223  D(52,43,55,54)         -0.2637         estimate D2E/DX2                !
 ! D224  D(52,43,55,75)        173.838          estimate D2E/DX2                !
 ! D225  D(42,44,45,46)         -0.7167         estimate D2E/DX2                !
 ! D226  D(42,44,45,63)        179.8582         estimate D2E/DX2                !
 ! D227  D(60,44,45,46)        174.6019         estimate D2E/DX2                !
 ! D228  D(60,44,45,63)         -4.8232         estimate D2E/DX2                !
 ! D229  D(42,44,60,61)        178.7836         estimate D2E/DX2                !
 ! D230  D(42,44,60,106)         2.2527         estimate D2E/DX2                !
 ! D231  D(45,44,60,61)          4.8687         estimate D2E/DX2                !
 ! D232  D(45,44,60,106)      -171.6622         estimate D2E/DX2                !
 ! D233  D(44,45,46,47)          0.8692         estimate D2E/DX2                !
 ! D234  D(44,45,46,56)       -179.7918         estimate D2E/DX2                !
 ! D235  D(63,45,46,47)       -179.7388         estimate D2E/DX2                !
 ! D236  D(63,45,46,56)         -0.3998         estimate D2E/DX2                !
 ! D237  D(44,45,63,62)          1.625          estimate D2E/DX2                !
 ! D238  D(44,45,63,109)      -179.2765         estimate D2E/DX2                !
 ! D239  D(46,45,63,62)       -177.6619         estimate D2E/DX2                !
 ! D240  D(46,45,63,109)         1.4366         estimate D2E/DX2                !
 ! D241  D(45,46,47,42)         -0.7715         estimate D2E/DX2                !
 ! D242  D(45,46,47,59)        174.528          estimate D2E/DX2                !
 ! D243  D(56,46,47,42)        179.8534         estimate D2E/DX2                !
 ! D244  D(56,46,47,59)         -4.847          estimate D2E/DX2                !
 ! D245  D(45,46,56,57)       -177.5948         estimate D2E/DX2                !
 ! D246  D(45,46,56,102)         1.4698         estimate D2E/DX2                !
 ! D247  D(47,46,56,57)          1.6299         estimate D2E/DX2                !
 ! D248  D(47,46,56,102)      -179.3055         estimate D2E/DX2                !
 ! D249  D(42,47,59,58)        178.7929         estimate D2E/DX2                !
 ! D250  D(42,47,59,105)         2.2592         estimate D2E/DX2                !
 ! D251  D(46,47,59,58)          4.9035         estimate D2E/DX2                !
 ! D252  D(46,47,59,105)      -171.6302         estimate D2E/DX2                !
 ! D253  D(41,48,49,50)         -0.7524         estimate D2E/DX2                !
 ! D254  D(41,48,49,71)        179.8526         estimate D2E/DX2                !
 ! D255  D(68,48,49,50)        174.5468         estimate D2E/DX2                !
 ! D256  D(68,48,49,71)         -4.8482         estimate D2E/DX2                !
 ! D257  D(41,48,68,69)        178.7999         estimate D2E/DX2                !
 ! D258  D(41,48,68,114)         2.2631         estimate D2E/DX2                !
 ! D259  D(49,48,68,69)          4.9035         estimate D2E/DX2                !
 ! D260  D(49,48,68,114)      -171.6333         estimate D2E/DX2                !
 ! D261  D(48,49,50,51)          0.8719         estimate D2E/DX2                !
 ! D262  D(48,49,50,64)       -179.7536         estimate D2E/DX2                !
 ! D263  D(71,49,50,51)       -179.7679         estimate D2E/DX2                !
 ! D264  D(71,49,50,64)         -0.3934         estimate D2E/DX2                !
 ! D265  D(48,49,71,70)          1.6289         estimate D2E/DX2                !
 ! D266  D(48,49,71,117)      -179.2928         estimate D2E/DX2                !
 ! D267  D(50,49,71,70)       -177.6205         estimate D2E/DX2                !
 ! D268  D(50,49,71,117)         1.4578         estimate D2E/DX2                !
 ! D269  D(49,50,51,41)         -0.7418         estimate D2E/DX2                !
 ! D270  D(49,50,51,67)        174.5742         estimate D2E/DX2                !
 ! D271  D(64,50,51,41)        179.8496         estimate D2E/DX2                !
 ! D272  D(64,50,51,67)         -4.8344         estimate D2E/DX2                !
 ! D273  D(49,50,64,65)       -177.6455         estimate D2E/DX2                !
 ! D274  D(49,50,64,110)         1.4471         estimate D2E/DX2                !
 ! D275  D(51,50,64,65)          1.6207         estimate D2E/DX2                !
 ! D276  D(51,50,64,110)      -179.2867         estimate D2E/DX2                !
 ! D277  D(41,51,67,66)        178.8041         estimate D2E/DX2                !
 ! D278  D(41,51,67,113)         2.2669         estimate D2E/DX2                !
 ! D279  D(50,51,67,66)          4.8853         estimate D2E/DX2                !
 ! D280  D(50,51,67,113)      -171.6519         estimate D2E/DX2                !
 ! D281  D(43,52,53,54)          0.7656         estimate D2E/DX2                !
 ! D282  D(43,52,53,79)       -179.8602         estimate D2E/DX2                !
 ! D283  D(76,52,53,54)       -174.5174         estimate D2E/DX2                !
 ! D284  D(76,52,53,79)          4.8568         estimate D2E/DX2                !
 ! D285  D(43,52,76,77)       -178.768          estimate D2E/DX2                !
 ! D286  D(43,52,76,122)        -2.249          estimate D2E/DX2                !
 ! D287  D(53,52,76,77)         -4.8965         estimate D2E/DX2                !
 ! D288  D(53,52,76,122)       171.6225         estimate D2E/DX2                !
 ! D289  D(52,53,54,55)         -0.8748         estimate D2E/DX2                !
 ! D290  D(52,53,54,72)        179.7572         estimate D2E/DX2                !
 ! D291  D(79,53,54,55)        179.787          estimate D2E/DX2                !
 ! D292  D(79,53,54,72)          0.4191         estimate D2E/DX2                !
 ! D293  D(52,53,79,78)         -1.6479         estimate D2E/DX2                !
 ! D294  D(52,53,79,125)       179.2986         estimate D2E/DX2                !
 ! D295  D(54,53,79,78)        177.5758         estimate D2E/DX2                !
 ! D296  D(54,53,79,125)        -1.4778         estimate D2E/DX2                !
 ! D297  D(53,54,55,43)          0.7328         estimate D2E/DX2                !
 ! D298  D(53,54,55,75)       -174.5896         estimate D2E/DX2                !
 ! D299  D(72,54,55,43)       -179.8648         estimate D2E/DX2                !
 ! D300  D(72,54,55,75)          4.8127         estimate D2E/DX2                !
 ! D301  D(53,54,72,73)        177.6527         estimate D2E/DX2                !
 ! D302  D(53,54,72,118)        -1.4523         estimate D2E/DX2                !
 ! D303  D(55,54,72,73)         -1.6058         estimate D2E/DX2                !
 ! D304  D(55,54,72,118)       179.2892         estimate D2E/DX2                !
 ! D305  D(43,55,75,74)       -178.7922         estimate D2E/DX2                !
 ! D306  D(43,55,75,121)        -2.2659         estimate D2E/DX2                !
 ! D307  D(54,55,75,74)         -4.8686         estimate D2E/DX2                !
 ! D308  D(54,55,75,121)       171.6577         estimate D2E/DX2                !
 ! D309  D(46,56,57,58)          1.709          estimate D2E/DX2                !
 ! D310  D(46,56,57,103)       179.1462         estimate D2E/DX2                !
 ! D311  D(102,56,57,58)      -177.377          estimate D2E/DX2                !
 ! D312  D(102,56,57,103)        0.0601         estimate D2E/DX2                !
 ! D313  D(56,57,58,59)         -1.5346         estimate D2E/DX2                !
 ! D314  D(56,57,58,104)       176.3976         estimate D2E/DX2                !
 ! D315  D(103,57,58,59)      -178.9695         estimate D2E/DX2                !
 ! D316  D(103,57,58,104)       -1.0374         estimate D2E/DX2                !
 ! D317  D(57,58,59,47)         -1.966          estimate D2E/DX2                !
 ! D318  D(57,58,59,105)       174.8727         estimate D2E/DX2                !
 ! D319  D(104,58,59,47)      -179.8804         estimate D2E/DX2                !
 ! D320  D(104,58,59,105)       -3.0417         estimate D2E/DX2                !
 ! D321  D(44,60,61,62)         -1.9384         estimate D2E/DX2                !
 ! D322  D(44,60,61,107)      -179.8623         estimate D2E/DX2                !
 ! D323  D(106,60,61,62)       174.8963         estimate D2E/DX2                !
 ! D324  D(106,60,61,107)       -3.0276         estimate D2E/DX2                !
 ! D325  D(60,61,62,63)         -1.5409         estimate D2E/DX2                !
 ! D326  D(60,61,62,108)      -178.9993         estimate D2E/DX2                !
 ! D327  D(107,61,62,63)       176.4008         estimate D2E/DX2                !
 ! D328  D(107,61,62,108)       -1.0576         estimate D2E/DX2                !
 ! D329  D(61,62,63,45)          1.7041         estimate D2E/DX2                !
 ! D330  D(61,62,63,109)      -177.4148         estimate D2E/DX2                !
 ! D331  D(108,62,63,45)       179.1649         estimate D2E/DX2                !
 ! D332  D(108,62,63,109)        0.0459         estimate D2E/DX2                !
 ! D333  D(50,64,65,66)          1.7205         estimate D2E/DX2                !
 ! D334  D(50,64,65,111)       179.1632         estimate D2E/DX2                !
 ! D335  D(110,64,65,66)      -177.3927         estimate D2E/DX2                !
 ! D336  D(110,64,65,111)        0.0499         estimate D2E/DX2                !
 ! D337  D(64,65,66,67)         -1.552          estimate D2E/DX2                !
 ! D338  D(64,65,66,112)       176.3949         estimate D2E/DX2                !
 ! D339  D(111,65,66,67)      -178.9923         estimate D2E/DX2                !
 ! D340  D(111,65,66,112)       -1.0455         estimate D2E/DX2                !
 ! D341  D(65,66,67,51)         -1.9453         estimate D2E/DX2                !
 ! D342  D(65,66,67,113)       174.8952         estimate D2E/DX2                !
 ! D343  D(112,66,67,51)      -179.8745         estimate D2E/DX2                !
 ! D344  D(112,66,67,113)       -3.0341         estimate D2E/DX2                !
 ! D345  D(48,68,69,70)         -1.9624         estimate D2E/DX2                !
 ! D346  D(48,68,69,115)      -179.8816         estimate D2E/DX2                !
 ! D347  D(114,68,69,70)       174.8791         estimate D2E/DX2                !
 ! D348  D(114,68,69,115)       -3.0402         estimate D2E/DX2                !
 ! D349  D(68,69,70,71)         -1.5422         estimate D2E/DX2                !
 ! D350  D(68,69,70,116)      -178.979          estimate D2E/DX2                !
 ! D351  D(115,69,70,71)       176.3945         estimate D2E/DX2                !
 ! D352  D(115,69,70,116)       -1.0424         estimate D2E/DX2                !
 ! D353  D(69,70,71,49)          1.7152         estimate D2E/DX2                !
 ! D354  D(69,70,71,117)      -177.3841         estimate D2E/DX2                !
 ! D355  D(116,70,71,49)       179.1542         estimate D2E/DX2                !
 ! D356  D(116,70,71,117)        0.0549         estimate D2E/DX2                !
 ! D357  D(54,72,73,74)         -1.7218         estimate D2E/DX2                !
 ! D358  D(54,72,73,119)      -179.1674         estimate D2E/DX2                !
 ! D359  D(118,72,73,74)       177.4036         estimate D2E/DX2                !
 ! D360  D(118,72,73,119)       -0.042          estimate D2E/DX2                !
 ! D361  D(72,73,74,75)          1.5491         estimate D2E/DX2                !
 ! D362  D(72,73,74,120)      -176.4085         estimate D2E/DX2                !
 ! D363  D(119,73,74,75)       178.992          estimate D2E/DX2                !
 ! D364  D(119,73,74,120)        1.0344         estimate D2E/DX2                !
 ! D365  D(73,74,75,55)          1.9396         estimate D2E/DX2                !
 ! D366  D(73,74,75,121)      -174.8909         estimate D2E/DX2                !
 ! D367  D(120,74,75,55)       179.8797         estimate D2E/DX2                !
 ! D368  D(120,74,75,121)        3.0493         estimate D2E/DX2                !
 ! D369  D(52,76,77,78)          1.9515         estimate D2E/DX2                !
 ! D370  D(52,76,77,123)       179.8617         estimate D2E/DX2                !
 ! D371  D(122,76,77,78)      -174.8723         estimate D2E/DX2                !
 ! D372  D(122,76,77,123)        3.0378         estimate D2E/DX2                !
 ! D373  D(76,77,78,79)          1.5406         estimate D2E/DX2                !
 ! D374  D(76,77,78,124)       178.9786         estimate D2E/DX2                !
 ! D375  D(123,77,78,79)      -176.3871         estimate D2E/DX2                !
 ! D376  D(123,77,78,124)        1.0509         estimate D2E/DX2                !
 ! D377  D(77,78,79,53)         -1.6996         estimate D2E/DX2                !
 ! D378  D(77,78,79,125)       177.3756         estimate D2E/DX2                !
 ! D379  D(124,78,79,53)      -179.1398         estimate D2E/DX2                !
 ! D380  D(124,78,79,125)       -0.0646         estimate D2E/DX2                !
 --------------------------------------------------------------------------------
 Trust Radius=3.00D-01 FncErr=1.00D-07 GrdErr=1.00D-06 EigMax=2.50D+02 EigMin=1.00D-04
 Number of steps in this run=    756 maximum allowed number of steps=    756.
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C74H46ClN5
 Framework group  C1[X(C74H46ClN5)]
 Deg. of freedom   372
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        1.114975    2.230676   -0.112872
      2          6           0        1.436831    0.917463   -0.101064
      3          6           0        0.587980   -0.139050   -0.079689
      4          6           0       -0.730777    0.147967   -0.081758
      5          6           0       -1.097944    1.444079   -0.095463
      6          6           0       -0.212592    2.448445   -0.108701
      7          6           0        0.978062   -1.442972   -0.071469
      8          6           0        0.041734   -2.420543   -0.072032
      9          6           0       -1.281323   -2.126640   -0.067684
     10          6           0       -1.660628   -0.832204   -0.073521
     11          6           0        2.276822   -1.830467   -0.051433
     12          6           0        2.760132   -3.092100   -0.044169
     13          6           0        1.787350   -4.019963   -0.053970
     14          6           0        0.489016   -3.691768   -0.065709
     15          7           0       -2.233738   -3.031462   -0.050934
     16          6           0       -3.488613   -2.670113   -0.068322
     17          6           0       -3.798209   -1.369490   -0.086576
     18          7           0       -2.884748   -0.496626   -0.108666
     19          6           0       -4.500270   -3.552039   -0.059967
     20          6           0       -5.777710   -3.139798   -0.069337
     21          6           0       -6.136026   -1.836982   -0.088626
     22          6           0       -5.088053   -0.982210   -0.100314
     23          6           0        2.027193    3.243606   -0.131501
     24          6           0        4.085630   -3.409385   -0.025020
     25          6           0       -7.434214   -1.425655   -0.097110
     26          6           0        4.551923   -4.671710    0.068014
     27          6           0        5.858111   -4.988680    0.085626
     28          6           0        6.865017   -4.094651    0.022612
     29          6           0        6.391057   -2.836127   -0.069385
     30          6           0        5.087677   -2.508877   -0.096980
     31          6           0        1.696484    4.547073   -0.236895
     32          6           0        2.592621    5.548709   -0.254971
     33          6           0        3.928393    5.383825   -0.179541
     34          6           0        4.250939    4.079200   -0.074442
     35          6           0        3.362499    3.070926   -0.046583
     36          6           0       -8.489236   -2.264140   -0.051878
     37          6           0       -9.769411   -1.854604   -0.064243
     38          6           0      -10.161671   -0.565621   -0.111734
     39          6           0       -9.100480    0.264958   -0.152014
     40          6           0       -7.816783   -0.133742   -0.150433
     41          7           0        4.785622    6.347087   -0.203751
     42          7           0        8.117530   -4.401821    0.045434
     43          7           0      -11.391731   -0.177829   -0.117979
     44          6           0        8.643689   -5.529768   -0.297891
     45          6           0        9.978473   -5.503222   -0.139755
     46          6           0       10.268549   -4.283689    0.310023
     47          6           0        9.092337   -3.641931    0.419166
     48          6           0        6.022881    6.272110   -0.565482
     49          6           0        6.627026    7.468537   -0.461160
     50          6           0        5.692594    8.311981   -0.026559
     51          6           0        4.577248    7.577513    0.127812
     52          6           0      -11.842278    0.969039    0.268200
     53          6           0      -13.176629    1.034950    0.118164
     54          6           0      -13.547509   -0.146787   -0.371184
     55          6           0      -12.415947   -0.859208   -0.510077
     56          6           0       11.460941   -3.757231    0.619343
     57          6           0       11.496086   -2.508587    1.104249
     58          6           0       10.342521   -1.851413    1.292695
     59          6           0        9.163942   -2.414969    0.974475
     60          6           0        8.160245   -6.656461   -0.859775
     61          6           0        8.955850   -7.703995   -1.138759
     62          6           0       10.274670   -7.652491   -0.902311
     63          6           0       10.803097   -6.524280   -0.408844
     64          6           0        5.790045    9.622746    0.232816
     65          6           0        4.710772   10.256040    0.711837
     66          6           0        3.593645    9.551905    0.944585
     67          6           0        3.535301    8.235702    0.675773
     68          6           0        6.782792    5.297595   -1.105766
     69          6           0        8.076020    5.498984   -1.414160
     70          6           0        8.651805    6.695927   -1.230616
     71          6           0        7.910543    7.708610   -0.760989
     72          6           0      -14.773144   -0.583871   -0.689889
     73          6           0      -14.891562   -1.810497   -1.216096
     74          6           0      -13.784125   -2.534286   -1.434460
     75          6           0      -12.569848   -2.059581   -1.105488
     76          6           0      -11.284224    2.041044    0.866775
     77          6           0      -12.008676    3.127425    1.187814
     78          6           0      -13.328996    3.170250    0.958179
     79          6           0      -13.931821    2.097164    0.428463
     80          1           0       -2.039194   -4.037025   -0.135717
     81          1           0        2.504316    0.707362   -0.134975
     82          1           0       -2.155898    1.757703   -0.090771
     83          1           0       -0.661274    3.452486   -0.105527
     84          1           0        3.037057   -1.052484   -0.015979
     85          1           0        1.988077   -5.101424   -0.059314
     86          1           0       -0.181481   -4.563873   -0.068071
     87          1           0       -4.290353   -4.635977   -0.043098
     88          1           0       -6.506417   -3.963210   -0.063868
     89          1           0       -5.230373    0.108228   -0.116761
     90          1           0        3.881943   -5.537457    0.179005
     91          1           0        6.053173   -6.054541    0.267191
     92          1           0        7.065583   -1.985274   -0.238327
     93          1           0        4.906211   -1.430985   -0.225854
     94          1           0        0.654830    4.879646   -0.360035
     95          1           0        2.150613    6.535678   -0.448537
     96          1           0        5.287404    3.762372    0.105753
     97          1           0        3.823259    2.081474    0.094952
     98          1           0       -8.368562   -3.354399    0.033531
     99          1           0      -10.495655   -2.666762    0.076484
    100          1           0       -9.228202    1.346410   -0.297498
    101          1           0       -7.092247    0.690495   -0.230720
    102          1           0       12.397413   -4.324069    0.500432
    103          1           0       12.456592   -2.044997    1.383899
    104          1           0       10.366758   -0.846014    1.748021
    105          1           0        8.285852   -1.818630    1.254564
    106          1           0        7.116694   -6.781979   -1.176582
    107          1           0        8.529438   -8.611258   -1.601001
    108          1           0       10.921675   -8.510454   -1.149586
    109          1           0       11.890218   -6.453367   -0.250047
    110          1           0        6.726979   10.179824    0.077680
    111          1           0        4.754673   11.331542    0.950857
    112          1           0        2.723756   10.060620    1.395326
    113          1           0        2.602183    7.749584    0.988727
    114          1           0        6.400289    4.306110   -1.380885
    115          1           0        8.669951    4.680744   -1.857183
    116          1           0        9.708327    6.856303   -1.502031
    117          1           0        8.359292    8.707464   -0.646304
    118          1           0      -15.670155    0.037999   -0.545110
    119          1           0      -15.881542   -2.201050   -1.504266
    120          1           0      -13.875834   -3.519997   -1.922823
    121          1           0      -11.733468   -2.701590   -1.411061
    122          1           0      -10.233631    2.086912    1.181466
    123          1           0      -11.522030    3.987748    1.679357
    124          1           0      -13.917654    4.058944    1.240187
    125          1           0      -15.022029    2.102670    0.274893
    126         17           0       -2.117883   -3.470757    2.724069
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           0.0247577           0.0080535           0.0061653
 Standard basis: 6-31G(d,p) (6D, 7F)
 There are  1434 symmetry adapted cartesian basis functions of A   symmetry.
 There are  1434 symmetry adapted basis functions of A   symmetry.
  1434 basis functions,  2586 primitive gaussians,  1434 cartesian basis functions
   271 alpha electrons      271 beta electrons
       nuclear repulsion energy     11010.1938763699 Hartrees.
 NAtoms=  126 NActive=  126 NUniq=  126 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=T Big=T
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 One-electron integrals computed using PRISM.
 NBasis=  1434 RedAO= T EigKep=  5.94D-05  NBF=  1434
 NBsUse=  1434 1.00D-06 EigRej= -1.00D+00 NBFU=  1434
 ExpMin= 1.43D-01 ExpMax= 2.52D+04 ExpMxC= 3.78D+03 IAcc=3 IRadAn=         5 AccDes= 0.00D+00
 Harris functional with IExCor=  402 and IRadAn=       5 diagonalized for initial guess.
 HarFok:  IExCor=  402 AccDes= 0.00D+00 IRadAn=         5 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=        2001
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Petite list used in FoFCou.
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Integral accuracy reduced to 1.0D-05 until final iterations.
 EnCoef did     4 forward-backward iterations
 Initial convergence to 1.0D-05 achieved.  Increase integral accuracy.
 SCF Done:  E(RB3LYP) =  -3581.16686554     A.U. after   20 cycles
            NFock= 20  Conv=0.39D-08     -V/T= 2.0039
 Hyperfine terms turned off by default for NAtoms > 100.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues -- -101.37612 -14.44241 -14.39987 -14.39751 -14.39720
 Alpha  occ. eigenvalues --  -14.33785 -10.25605 -10.24419 -10.23593 -10.23329
 Alpha  occ. eigenvalues --  -10.23214 -10.23154 -10.22484 -10.21318 -10.21318
 Alpha  occ. eigenvalues --  -10.21156 -10.21133 -10.21122 -10.21106 -10.20552
 Alpha  occ. eigenvalues --  -10.20335 -10.20247 -10.20239 -10.20068 -10.20027
 Alpha  occ. eigenvalues --  -10.19987 -10.19604 -10.19468 -10.19431 -10.19291
 Alpha  occ. eigenvalues --  -10.19282 -10.19232 -10.19222 -10.19210 -10.19195
 Alpha  occ. eigenvalues --  -10.19187 -10.19170 -10.19152 -10.19091 -10.19084
 Alpha  occ. eigenvalues --  -10.18971 -10.18902 -10.18864 -10.18847 -10.18809
 Alpha  occ. eigenvalues --  -10.18791 -10.18704 -10.18521 -10.18455 -10.18378
 Alpha  occ. eigenvalues --  -10.18372 -10.18249 -10.18240 -10.18205 -10.18167
 Alpha  occ. eigenvalues --  -10.18144 -10.17986 -10.17982 -10.17964 -10.17964
 Alpha  occ. eigenvalues --  -10.17876 -10.17841 -10.17827 -10.17811 -10.17802
 Alpha  occ. eigenvalues --  -10.17800 -10.17777 -10.17769 -10.17568 -10.17567
 Alpha  occ. eigenvalues --  -10.17445 -10.17407 -10.17395 -10.17368 -10.16678
 Alpha  occ. eigenvalues --  -10.16590 -10.16509 -10.16486 -10.16417 -10.16396
 Alpha  occ. eigenvalues --   -9.28921  -7.04874  -7.04622  -7.04612  -1.08627
 Alpha  occ. eigenvalues --   -1.08405  -1.08389  -1.07352  -0.98648  -0.94390
 Alpha  occ. eigenvalues --   -0.92453  -0.92269  -0.92087  -0.90951  -0.90422
 Alpha  occ. eigenvalues --   -0.89290  -0.88288  -0.88081  -0.88018  -0.87918
 Alpha  occ. eigenvalues --   -0.87890  -0.85910  -0.83999  -0.83852  -0.82717
 Alpha  occ. eigenvalues --   -0.81728  -0.81270  -0.79959  -0.79049  -0.78726
 Alpha  occ. eigenvalues --   -0.78558  -0.78510  -0.78331  -0.77168  -0.76884
 Alpha  occ. eigenvalues --   -0.76628  -0.76316  -0.76222  -0.75694  -0.74646
 Alpha  occ. eigenvalues --   -0.74278  -0.73881  -0.73179  -0.73023  -0.72992
 Alpha  occ. eigenvalues --   -0.72910  -0.70747  -0.69760  -0.69215  -0.67906
 Alpha  occ. eigenvalues --   -0.67279  -0.66744  -0.65751  -0.65711  -0.65167
 Alpha  occ. eigenvalues --   -0.64817  -0.64222  -0.63797  -0.63379  -0.62924
 Alpha  occ. eigenvalues --   -0.62678  -0.62001  -0.61391  -0.61230  -0.60715
 Alpha  occ. eigenvalues --   -0.60560  -0.59758  -0.59444  -0.59193  -0.58507
 Alpha  occ. eigenvalues --   -0.57914  -0.57761  -0.57471  -0.57101  -0.56907
 Alpha  occ. eigenvalues --   -0.56877  -0.56199  -0.56102  -0.53787  -0.53570
 Alpha  occ. eigenvalues --   -0.53395  -0.53267  -0.52947  -0.52313  -0.51901
 Alpha  occ. eigenvalues --   -0.51707  -0.51366  -0.51170  -0.51076  -0.50689
 Alpha  occ. eigenvalues --   -0.50469  -0.49863  -0.49506  -0.49001  -0.48721
 Alpha  occ. eigenvalues --   -0.48470  -0.48379  -0.48189  -0.47458  -0.47321
 Alpha  occ. eigenvalues --   -0.46992  -0.46742  -0.46062  -0.45725  -0.45652
 Alpha  occ. eigenvalues --   -0.45422  -0.45279  -0.44565  -0.44436  -0.44374
 Alpha  occ. eigenvalues --   -0.44042  -0.44002  -0.43900  -0.43755  -0.43638
 Alpha  occ. eigenvalues --   -0.43511  -0.43321  -0.42886  -0.42761  -0.42706
 Alpha  occ. eigenvalues --   -0.42648  -0.42549  -0.42501  -0.42009  -0.41913
 Alpha  occ. eigenvalues --   -0.41893  -0.41669  -0.41566  -0.41370  -0.41121
 Alpha  occ. eigenvalues --   -0.40950  -0.40594  -0.40404  -0.40189  -0.39308
 Alpha  occ. eigenvalues --   -0.39093  -0.38800  -0.38675  -0.38189  -0.38089
 Alpha  occ. eigenvalues --   -0.37850  -0.37704  -0.37666  -0.37656  -0.37184
 Alpha  occ. eigenvalues --   -0.36833  -0.36642  -0.36576  -0.36497  -0.36320
 Alpha  occ. eigenvalues --   -0.36292  -0.36234  -0.36008  -0.35481  -0.34376
 Alpha  occ. eigenvalues --   -0.34179  -0.33782  -0.33539  -0.33474  -0.33363
 Alpha  occ. eigenvalues --   -0.33347  -0.32730  -0.32634  -0.32208  -0.31646
 Alpha  occ. eigenvalues --   -0.31106  -0.29933  -0.29783  -0.29648  -0.28970
 Alpha  occ. eigenvalues --   -0.27640  -0.27401  -0.27207  -0.26935  -0.26905
 Alpha  occ. eigenvalues --   -0.26635  -0.26469  -0.26444  -0.26067  -0.24668
 Alpha  occ. eigenvalues --   -0.23956  -0.23733  -0.22171  -0.22020  -0.21985
 Alpha  occ. eigenvalues --   -0.20827  -0.20270  -0.20130  -0.17274  -0.16936
 Alpha  occ. eigenvalues --   -0.16869
 Alpha virt. eigenvalues --   -0.11515  -0.06824  -0.04426  -0.04292  -0.03559
 Alpha virt. eigenvalues --   -0.02529  -0.02380  -0.02341  -0.01256  -0.00893
 Alpha virt. eigenvalues --   -0.00264  -0.00071   0.01001   0.01155   0.01175
 Alpha virt. eigenvalues --    0.01405   0.02630   0.02720   0.03998   0.04749
 Alpha virt. eigenvalues --    0.05051   0.05576   0.05668   0.05727   0.06046
 Alpha virt. eigenvalues --    0.06717   0.07281   0.07883   0.07950   0.08652
 Alpha virt. eigenvalues --    0.08881   0.09143   0.09193   0.09397   0.09449
 Alpha virt. eigenvalues --    0.09666   0.10070   0.10697   0.10899   0.11240
 Alpha virt. eigenvalues --    0.11434   0.12479   0.12712   0.12939   0.13423
 Alpha virt. eigenvalues --    0.14100   0.14293   0.14541   0.15125   0.15587
 Alpha virt. eigenvalues --    0.15864   0.16020   0.16242   0.16460   0.16546
 Alpha virt. eigenvalues --    0.16743   0.17336   0.17652   0.18167   0.18334
 Alpha virt. eigenvalues --    0.18457   0.18597   0.18925   0.19280   0.19619
 Alpha virt. eigenvalues --    0.19836   0.20523   0.20714   0.20848   0.21020
 Alpha virt. eigenvalues --    0.21352   0.21442   0.21687   0.22013   0.22457
 Alpha virt. eigenvalues --    0.22748   0.22841   0.22948   0.23314   0.23487
 Alpha virt. eigenvalues --    0.23497   0.23554   0.23566   0.23775   0.24118
 Alpha virt. eigenvalues --    0.24632   0.25636   0.25860   0.26231   0.26457
 Alpha virt. eigenvalues --    0.26893   0.27323   0.27482   0.27913   0.27924
 Alpha virt. eigenvalues --    0.28169   0.28346   0.28515   0.28658   0.28847
 Alpha virt. eigenvalues --    0.29174   0.29312   0.29378   0.29627   0.29981
 Alpha virt. eigenvalues --    0.30295   0.30556   0.30953   0.31046   0.31228
 Alpha virt. eigenvalues --    0.32044   0.32485   0.32674   0.32799   0.32907
 Alpha virt. eigenvalues --    0.33079   0.33394   0.33791   0.34132   0.34298
 Alpha virt. eigenvalues --    0.34441   0.34707   0.35066   0.35318   0.36187
 Alpha virt. eigenvalues --    0.36413   0.36962   0.37861   0.38612   0.39006
 Alpha virt. eigenvalues --    0.39067   0.39423   0.39664   0.39934   0.40666
 Alpha virt. eigenvalues --    0.41021   0.41136   0.41582   0.41864   0.42067
 Alpha virt. eigenvalues --    0.42652   0.42710   0.43693   0.44053   0.44495
 Alpha virt. eigenvalues --    0.44978   0.45295   0.45436   0.46097   0.46450
 Alpha virt. eigenvalues --    0.46529   0.47121   0.47382   0.47545   0.47680
 Alpha virt. eigenvalues --    0.47768   0.47977   0.48029   0.48204   0.48769
 Alpha virt. eigenvalues --    0.48913   0.49041   0.49331   0.49507   0.49602
 Alpha virt. eigenvalues --    0.49821   0.50621   0.50661   0.50832   0.50886
 Alpha virt. eigenvalues --    0.51303   0.51663   0.51854   0.52124   0.52518
 Alpha virt. eigenvalues --    0.52730   0.52824   0.52951   0.53003   0.53105
 Alpha virt. eigenvalues --    0.53307   0.53479   0.53693   0.54012   0.54166
 Alpha virt. eigenvalues --    0.54315   0.54402   0.54519   0.54621   0.54810
 Alpha virt. eigenvalues --    0.54996   0.55107   0.55296   0.55555   0.55576
 Alpha virt. eigenvalues --    0.55699   0.55991   0.56090   0.56285   0.56526
 Alpha virt. eigenvalues --    0.56675   0.56793   0.56966   0.57125   0.57331
 Alpha virt. eigenvalues --    0.57417   0.57451   0.57499   0.57696   0.57787
 Alpha virt. eigenvalues --    0.57893   0.57992   0.58173   0.58458   0.58743
 Alpha virt. eigenvalues --    0.58967   0.58986   0.59077   0.59208   0.59330
 Alpha virt. eigenvalues --    0.59454   0.59521   0.59631   0.59960   0.60084
 Alpha virt. eigenvalues --    0.60176   0.60400   0.60565   0.60857   0.60966
 Alpha virt. eigenvalues --    0.61035   0.61083   0.61131   0.61224   0.61258
 Alpha virt. eigenvalues --    0.61426   0.61574   0.61707   0.61755   0.61810
 Alpha virt. eigenvalues --    0.61930   0.62159   0.62325   0.62408   0.62571
 Alpha virt. eigenvalues --    0.62732   0.62924   0.63032   0.63150   0.63277
 Alpha virt. eigenvalues --    0.63449   0.63637   0.63688   0.63794   0.63822
 Alpha virt. eigenvalues --    0.63860   0.63972   0.64187   0.64206   0.64348
 Alpha virt. eigenvalues --    0.64651   0.64765   0.64835   0.64978   0.65228
 Alpha virt. eigenvalues --    0.65850   0.65930   0.66106   0.66439   0.66506
 Alpha virt. eigenvalues --    0.66537   0.66863   0.67114   0.67221   0.67455
 Alpha virt. eigenvalues --    0.67599   0.67838   0.68093   0.68210   0.68714
 Alpha virt. eigenvalues --    0.69064   0.69252   0.69821   0.70142   0.70687
 Alpha virt. eigenvalues --    0.70780   0.70887   0.70957   0.71045   0.71237
 Alpha virt. eigenvalues --    0.71412   0.71662   0.72094   0.72529   0.72755
 Alpha virt. eigenvalues --    0.73081   0.73120   0.73666   0.74064   0.74372
 Alpha virt. eigenvalues --    0.74793   0.75116   0.75288   0.75441   0.75828
 Alpha virt. eigenvalues --    0.76185   0.76437   0.76552   0.77105   0.77189
 Alpha virt. eigenvalues --    0.77282   0.77330   0.77653   0.77839   0.78062
 Alpha virt. eigenvalues --    0.78173   0.78748   0.78955   0.79073   0.79292
 Alpha virt. eigenvalues --    0.79891   0.80222   0.80445   0.80614   0.81050
 Alpha virt. eigenvalues --    0.81192   0.81372   0.81481   0.81707   0.81773
 Alpha virt. eigenvalues --    0.81863   0.81901   0.82034   0.82404   0.82533
 Alpha virt. eigenvalues --    0.82714   0.82807   0.82902   0.83044   0.83086
 Alpha virt. eigenvalues --    0.83336   0.83476   0.83794   0.83823   0.84555
 Alpha virt. eigenvalues --    0.84868   0.85124   0.85413   0.85441   0.85660
 Alpha virt. eigenvalues --    0.86379   0.86925   0.87050   0.87392   0.87520
 Alpha virt. eigenvalues --    0.87947   0.88081   0.88100   0.88226   0.88361
 Alpha virt. eigenvalues --    0.88489   0.88585   0.88800   0.89832   0.90198
 Alpha virt. eigenvalues --    0.90898   0.91763   0.92065   0.92150   0.92247
 Alpha virt. eigenvalues --    0.92344   0.92770   0.92865   0.94384   0.94579
 Alpha virt. eigenvalues --    0.94663   0.95844   0.95980   0.96046   0.96294
 Alpha virt. eigenvalues --    0.96763   0.97009   0.97454   0.97651   0.97866
 Alpha virt. eigenvalues --    0.98038   0.98195   0.98219   0.98382   0.98540
 Alpha virt. eigenvalues --    0.98798   0.98862   0.98957   0.99042   0.99450
 Alpha virt. eigenvalues --    0.99531   1.00197   1.00927   1.01346   1.01515
 Alpha virt. eigenvalues --    1.01823   1.01893   1.02080   1.02288   1.02471
 Alpha virt. eigenvalues --    1.02733   1.02864   1.02914   1.03360   1.03665
 Alpha virt. eigenvalues --    1.03979   1.04097   1.04288   1.04512   1.04684
 Alpha virt. eigenvalues --    1.04834   1.05039   1.05426   1.05762   1.06132
 Alpha virt. eigenvalues --    1.06574   1.07337   1.07736   1.08627   1.09263
 Alpha virt. eigenvalues --    1.09779   1.10092   1.10311   1.10625   1.10739
 Alpha virt. eigenvalues --    1.10777   1.10958   1.12007   1.12451   1.12510
 Alpha virt. eigenvalues --    1.12596   1.13106   1.13155   1.13527   1.14463
 Alpha virt. eigenvalues --    1.14573   1.15001   1.15315   1.16028   1.16488
 Alpha virt. eigenvalues --    1.16670   1.17205   1.17503   1.17813   1.17947
 Alpha virt. eigenvalues --    1.18265   1.18570   1.18848   1.19186   1.19670
 Alpha virt. eigenvalues --    1.20652   1.20886   1.20951   1.20977   1.21138
 Alpha virt. eigenvalues --    1.21396   1.21752   1.21929   1.22102   1.22821
 Alpha virt. eigenvalues --    1.23313   1.23430   1.23868   1.23972   1.24070
 Alpha virt. eigenvalues --    1.24151   1.24263   1.24337   1.24633   1.24800
 Alpha virt. eigenvalues --    1.25032   1.25291   1.25481   1.25759   1.26075
 Alpha virt. eigenvalues --    1.26180   1.26326   1.26623   1.26783   1.27655
 Alpha virt. eigenvalues --    1.28002   1.28288   1.28350   1.28516   1.28744
 Alpha virt. eigenvalues --    1.29175   1.29482   1.30090   1.30266   1.30320
 Alpha virt. eigenvalues --    1.30781   1.31295   1.31719   1.31913   1.31981
 Alpha virt. eigenvalues --    1.32258   1.33060   1.33746   1.33884   1.34176
 Alpha virt. eigenvalues --    1.34311   1.35119   1.35815   1.36186   1.36274
 Alpha virt. eigenvalues --    1.36347   1.36382   1.36641   1.36780   1.36831
 Alpha virt. eigenvalues --    1.37347   1.37891   1.38124   1.38187   1.39136
 Alpha virt. eigenvalues --    1.39330   1.39604   1.39734   1.39860   1.39993
 Alpha virt. eigenvalues --    1.40102   1.40396   1.40847   1.41003   1.41317
 Alpha virt. eigenvalues --    1.41340   1.41675   1.42281   1.42496   1.42694
 Alpha virt. eigenvalues --    1.42729   1.43076   1.43195   1.43606   1.43661
 Alpha virt. eigenvalues --    1.43837   1.44020   1.44189   1.44213   1.44408
 Alpha virt. eigenvalues --    1.44831   1.45168   1.45591   1.45828   1.46188
 Alpha virt. eigenvalues --    1.46375   1.46386   1.46896   1.47211   1.47879
 Alpha virt. eigenvalues --    1.48007   1.48164   1.48550   1.48733   1.48796
 Alpha virt. eigenvalues --    1.48954   1.50074   1.52873   1.53534   1.54029
 Alpha virt. eigenvalues --    1.54150   1.54263   1.54367   1.54428   1.55077
 Alpha virt. eigenvalues --    1.55274   1.55618   1.55998   1.56237   1.56424
 Alpha virt. eigenvalues --    1.56733   1.57494   1.58079   1.59321   1.59961
 Alpha virt. eigenvalues --    1.60840   1.61870   1.62846   1.63736   1.64453
 Alpha virt. eigenvalues --    1.66101   1.66456   1.67004   1.67133   1.67231
 Alpha virt. eigenvalues --    1.67817   1.68885   1.69053   1.69080   1.69457
 Alpha virt. eigenvalues --    1.72527   1.72801   1.74006   1.74512   1.75473
 Alpha virt. eigenvalues --    1.75839   1.76264   1.76714   1.76901   1.77039
 Alpha virt. eigenvalues --    1.77168   1.77546   1.77651   1.77815   1.78169
 Alpha virt. eigenvalues --    1.78481   1.78729   1.79364   1.80063   1.80118
 Alpha virt. eigenvalues --    1.80307   1.80347   1.80406   1.80582   1.80769
 Alpha virt. eigenvalues --    1.80959   1.81254   1.81594   1.81736   1.81970
 Alpha virt. eigenvalues --    1.82441   1.83155   1.83934   1.84359   1.84827
 Alpha virt. eigenvalues --    1.85471   1.85745   1.86072   1.86400   1.86540
 Alpha virt. eigenvalues --    1.86629   1.87068   1.87189   1.87235   1.87311
 Alpha virt. eigenvalues --    1.87423   1.87430   1.88397   1.89081   1.89332
 Alpha virt. eigenvalues --    1.89527   1.89680   1.89805   1.90052   1.90179
 Alpha virt. eigenvalues --    1.90381   1.90490   1.90631   1.90740   1.90950
 Alpha virt. eigenvalues --    1.91380   1.92158   1.92554   1.93197   1.93675
 Alpha virt. eigenvalues --    1.93739   1.93938   1.94596   1.94986   1.95535
 Alpha virt. eigenvalues --    1.96001   1.96113   1.96219   1.96925   1.97158
 Alpha virt. eigenvalues --    1.97291   1.97490   1.97613   1.97735   1.98319
 Alpha virt. eigenvalues --    1.98441   1.98496   1.98620   1.98778   1.99037
 Alpha virt. eigenvalues --    1.99417   1.99509   1.99785   2.00135   2.00498
 Alpha virt. eigenvalues --    2.00897   2.00928   2.01087   2.01255   2.01395
 Alpha virt. eigenvalues --    2.01567   2.01931   2.02071   2.02628   2.03530
 Alpha virt. eigenvalues --    2.03908   2.04060   2.04153   2.04253   2.04335
 Alpha virt. eigenvalues --    2.04353   2.04533   2.04765   2.04886   2.05096
 Alpha virt. eigenvalues --    2.05439   2.05523   2.06279   2.06687   2.06774
 Alpha virt. eigenvalues --    2.07274   2.08033   2.08409   2.08954   2.09290
 Alpha virt. eigenvalues --    2.09621   2.10216   2.10492   2.10691   2.10786
 Alpha virt. eigenvalues --    2.11413   2.11639   2.12225   2.12345   2.12392
 Alpha virt. eigenvalues --    2.12686   2.15138   2.15305   2.15338   2.15626
 Alpha virt. eigenvalues --    2.16830   2.16967   2.17040   2.17060   2.18526
 Alpha virt. eigenvalues --    2.18981   2.19245   2.19580   2.19809   2.20217
 Alpha virt. eigenvalues --    2.20418   2.21103   2.21182   2.21292   2.21334
 Alpha virt. eigenvalues --    2.21800   2.22010   2.22119   2.22683   2.23159
 Alpha virt. eigenvalues --    2.23733   2.24647   2.24688   2.24815   2.24905
 Alpha virt. eigenvalues --    2.25076   2.25119   2.25470   2.25568   2.26312
 Alpha virt. eigenvalues --    2.26460   2.26539   2.27295   2.27713   2.28233
 Alpha virt. eigenvalues --    2.28381   2.28737   2.29386   2.29673   2.29832
 Alpha virt. eigenvalues --    2.30189   2.30369   2.30658   2.30931   2.31091
 Alpha virt. eigenvalues --    2.31135   2.31763   2.31860   2.31968   2.32078
 Alpha virt. eigenvalues --    2.32297   2.32388   2.32569   2.33543   2.34365
 Alpha virt. eigenvalues --    2.35096   2.35161   2.35294   2.35393   2.35666
 Alpha virt. eigenvalues --    2.35990   2.36052   2.36853   2.36912   2.37096
 Alpha virt. eigenvalues --    2.37116   2.37450   2.37587   2.37726   2.37802
 Alpha virt. eigenvalues --    2.37871   2.37883   2.37901   2.38421   2.38469
 Alpha virt. eigenvalues --    2.38658   2.39581   2.39990   2.40613   2.40675
 Alpha virt. eigenvalues --    2.40843   2.40877   2.40953   2.41183   2.41288
 Alpha virt. eigenvalues --    2.41516   2.41573   2.41773   2.42043   2.42300
 Alpha virt. eigenvalues --    2.42399   2.42684   2.43091   2.43780   2.44311
 Alpha virt. eigenvalues --    2.44553   2.44775   2.44885   2.45059   2.45368
 Alpha virt. eigenvalues --    2.45590   2.46064   2.46337   2.46881   2.47413
 Alpha virt. eigenvalues --    2.47952   2.48027   2.48068   2.48500   2.48698
 Alpha virt. eigenvalues --    2.48797   2.48841   2.49153   2.49505   2.49868
 Alpha virt. eigenvalues --    2.50361   2.50521   2.50529   2.50790   2.51169
 Alpha virt. eigenvalues --    2.51260   2.51684   2.52133   2.52182   2.52789
 Alpha virt. eigenvalues --    2.52936   2.53080   2.53866   2.53881   2.54223
 Alpha virt. eigenvalues --    2.54345   2.54471   2.54727   2.55140   2.55224
 Alpha virt. eigenvalues --    2.55833   2.56298   2.56875   2.57152   2.57323
 Alpha virt. eigenvalues --    2.57620   2.57867   2.58253   2.58409   2.58865
 Alpha virt. eigenvalues --    2.58943   2.59428   2.59655   2.60132   2.60183
 Alpha virt. eigenvalues --    2.60333   2.60765   2.60910   2.61132   2.61244
 Alpha virt. eigenvalues --    2.61438   2.61519   2.61661   2.61745   2.61956
 Alpha virt. eigenvalues --    2.62095   2.62182   2.62637   2.62744   2.63047
 Alpha virt. eigenvalues --    2.63392   2.63463   2.63666   2.64405   2.65008
 Alpha virt. eigenvalues --    2.65067   2.65565   2.66179   2.66799   2.67231
 Alpha virt. eigenvalues --    2.67439   2.67567   2.67615   2.68060   2.68170
 Alpha virt. eigenvalues --    2.68342   2.68652   2.69224   2.69971   2.70224
 Alpha virt. eigenvalues --    2.70681   2.70723   2.71087   2.71144   2.71396
 Alpha virt. eigenvalues --    2.71580   2.72392   2.72757   2.73275   2.73767
 Alpha virt. eigenvalues --    2.74134   2.74581   2.74694   2.75609   2.76483
 Alpha virt. eigenvalues --    2.77055   2.77697   2.78031   2.78577   2.78670
 Alpha virt. eigenvalues --    2.78966   2.79571   2.79920   2.80287   2.80694
 Alpha virt. eigenvalues --    2.81080   2.81577   2.82310   2.82611   2.83824
 Alpha virt. eigenvalues --    2.84022   2.84136   2.85535   2.86260   2.87058
 Alpha virt. eigenvalues --    2.87616   2.88465   2.88752   2.89087   2.89592
 Alpha virt. eigenvalues --    2.89681   2.89858   2.89940   2.90186   2.90325
 Alpha virt. eigenvalues --    2.91063   2.91451   2.91660   2.92163   2.92570
 Alpha virt. eigenvalues --    2.92764   2.94129   2.94744   2.94957   2.95119
 Alpha virt. eigenvalues --    2.95649   2.95843   2.95898   2.97236   2.98099
 Alpha virt. eigenvalues --    2.98986   2.99162   2.99225   2.99469   2.99679
 Alpha virt. eigenvalues --    3.00025   3.00084   3.00532   3.00824   3.01954
 Alpha virt. eigenvalues --    3.03121   3.03602   3.04150   3.04732   3.05419
 Alpha virt. eigenvalues --    3.06960   3.08103   3.09534   3.10087   3.10603
 Alpha virt. eigenvalues --    3.11525   3.12043   3.14022   3.14446   3.17418
 Alpha virt. eigenvalues --    3.19461   3.19709   3.20721   3.20818   3.20911
 Alpha virt. eigenvalues --    3.21319   3.21510   3.21743   3.22043   3.22182
 Alpha virt. eigenvalues --    3.22200   3.23065   3.24326   3.24576   3.24885
 Alpha virt. eigenvalues --    3.25369   3.25490   3.25856   3.26285   3.26920
 Alpha virt. eigenvalues --    3.27045   3.27195   3.27265   3.27637   3.28330
 Alpha virt. eigenvalues --    3.30035   3.30696   3.30869   3.31107   3.31695
 Alpha virt. eigenvalues --    3.31704   3.33635   3.35184   3.36292   3.38357
 Alpha virt. eigenvalues --    3.39246   3.39478   3.39538   3.39544   3.39921
 Alpha virt. eigenvalues --    3.40578   3.40865   3.41166   3.42519   3.42942
 Alpha virt. eigenvalues --    3.45486   3.45656   3.45769   3.48335   3.48581
 Alpha virt. eigenvalues --    3.48736   3.48755   3.49362   3.50021   3.51506
 Alpha virt. eigenvalues --    3.51672   3.51743   3.52994   3.53651   3.56743
 Alpha virt. eigenvalues --    3.57330   3.57399   3.57911   3.63816   3.64013
 Alpha virt. eigenvalues --    3.64046   3.69434   3.69963   3.70109   3.76166
 Alpha virt. eigenvalues --    3.78740   3.80350   3.86083   3.90711   3.94127
 Alpha virt. eigenvalues --    3.95279   3.96023   3.98175   4.00920   4.04335
 Alpha virt. eigenvalues --    4.04503   4.04534   4.04946   4.11961   4.14065
 Alpha virt. eigenvalues --    4.14680   4.14826   4.14874   4.14986   4.15318
 Alpha virt. eigenvalues --    4.15746   4.16058   4.16253   4.16382   4.16450
 Alpha virt. eigenvalues --    4.16686   4.17083   4.17444   4.17473   4.17614
 Alpha virt. eigenvalues --    4.17649   4.17706   4.17806   4.17904   4.19059
 Alpha virt. eigenvalues --    4.19599   4.19793   4.20462   4.20688   4.20820
 Alpha virt. eigenvalues --    4.20856   4.21251   4.21376   4.22018   4.26898
 Alpha virt. eigenvalues --    4.27086   4.27094   4.28643   4.29387   4.29648
 Alpha virt. eigenvalues --    4.36767   4.38274   4.39091   4.40120   4.40415
 Alpha virt. eigenvalues --    4.40662   4.42040   4.43207   4.46298   4.47679
 Alpha virt. eigenvalues --    4.47875   4.47988   4.49311   4.52948   4.53135
 Alpha virt. eigenvalues --    4.53181   4.54393   4.57511   4.57672   4.57702
 Alpha virt. eigenvalues --    4.57856   4.58478   4.58803   4.59476   4.61005
 Alpha virt. eigenvalues --    4.64535   4.70839   4.76621   4.78624   4.79363
 Alpha virt. eigenvalues --    4.81922   4.87210   4.90934   4.95174   4.99740
 Alpha virt. eigenvalues --    5.04991   5.07231   5.07391   5.07417   5.08207
 Alpha virt. eigenvalues --    5.10059   5.11287   5.22603
          Condensed to atoms (all electrons):
 Mulliken charges:
               1
     1  C    0.197467
     2  C   -0.262019
     3  C    0.129768
     4  C    0.049441
     5  C   -0.127949
     6  C   -0.161010
     7  C    0.107712
     8  C    0.192508
     9  C    0.357086
    10  C    0.245508
    11  C   -0.253132
    12  C    0.191299
    13  C   -0.165778
    14  C   -0.149335
    15  N   -0.658334
    16  C    0.431356
    17  C    0.322013
    18  N   -0.582032
    19  C   -0.129189
    20  C   -0.135331
    21  C    0.156570
    22  C   -0.199641
    23  C    0.108291
    24  C    0.110094
    25  C    0.119708
    26  C   -0.152332
    27  C   -0.150005
    28  C    0.375548
    29  C   -0.150120
    30  C   -0.145671
    31  C   -0.152885
    32  C   -0.149614
    33  C    0.372879
    34  C   -0.150777
    35  C   -0.146843
    36  C   -0.155775
    37  C   -0.148707
    38  C    0.374415
    39  C   -0.151162
    40  C   -0.142144
    41  N   -0.676680
    42  N   -0.677857
    43  N   -0.677334
    44  C    0.295940
    45  C    0.030986
    46  C    0.031360
    47  C    0.294862
    48  C    0.295300
    49  C    0.030849
    50  C    0.031279
    51  C    0.294870
    52  C    0.294793
    53  C    0.031192
    54  C    0.031163
    55  C    0.295663
    56  C   -0.115606
    57  C   -0.108934
    58  C   -0.084375
    59  C   -0.119530
    60  C   -0.119377
    61  C   -0.083842
    62  C   -0.108836
    63  C   -0.115442
    64  C   -0.115745
    65  C   -0.109172
    66  C   -0.084160
    67  C   -0.120218
    68  C   -0.119780
    69  C   -0.084202
    70  C   -0.109359
    71  C   -0.115572
    72  C   -0.115546
    73  C   -0.109028
    74  C   -0.083910
    75  C   -0.119560
    76  C   -0.120204
    77  C   -0.084167
    78  C   -0.108979
    79  C   -0.115650
    80  H    0.291941
    81  H    0.072665
    82  H    0.109438
    83  H    0.082823
    84  H    0.081022
    85  H    0.088587
    86  H    0.087216
    87  H    0.106075
    88  H    0.099075
    89  H    0.100596
    90  H    0.091318
    91  H    0.104302
    92  H    0.100175
    93  H    0.081770
    94  H    0.085838
    95  H    0.100286
    96  H    0.099214
    97  H    0.080280
    98  H    0.086308
    99  H    0.102875
   100  H    0.101537
   101  H    0.088090
   102  H    0.083122
   103  H    0.076141
   104  H    0.078995
   105  H    0.090127
   106  H    0.088850
   107  H    0.078482
   108  H    0.076030
   109  H    0.083167
   110  H    0.082161
   111  H    0.075107
   112  H    0.078175
   113  H    0.090355
   114  H    0.087271
   115  H    0.076753
   116  H    0.074790
   117  H    0.082455
   118  H    0.082657
   119  H    0.075211
   120  H    0.077544
   121  H    0.088184
   122  H    0.091759
   123  H    0.078823
   124  H    0.075362
   125  H    0.082401
   126  Cl  -0.772422
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.197467
     2  C   -0.189354
     3  C    0.129768
     4  C    0.049441
     5  C   -0.018512
     6  C   -0.078188
     7  C    0.107712
     8  C    0.192508
     9  C    0.357086
    10  C    0.245508
    11  C   -0.172110
    12  C    0.191299
    13  C   -0.077191
    14  C   -0.062119
    15  N   -0.366393
    16  C    0.431356
    17  C    0.322013
    18  N   -0.582032
    19  C   -0.023114
    20  C   -0.036256
    21  C    0.156570
    22  C   -0.099045
    23  C    0.108291
    24  C    0.110094
    25  C    0.119708
    26  C   -0.061014
    27  C   -0.045703
    28  C    0.375548
    29  C   -0.049945
    30  C   -0.063901
    31  C   -0.067048
    32  C   -0.049328
    33  C    0.372879
    34  C   -0.051564
    35  C   -0.066562
    36  C   -0.069467
    37  C   -0.045832
    38  C    0.374415
    39  C   -0.049625
    40  C   -0.054054
    41  N   -0.676680
    42  N   -0.677857
    43  N   -0.677334
    44  C    0.295940
    45  C    0.030986
    46  C    0.031360
    47  C    0.294862
    48  C    0.295300
    49  C    0.030849
    50  C    0.031279
    51  C    0.294870
    52  C    0.294793
    53  C    0.031192
    54  C    0.031163
    55  C    0.295663
    56  C   -0.032484
    57  C   -0.032793
    58  C   -0.005380
    59  C   -0.029402
    60  C   -0.030527
    61  C   -0.005360
    62  C   -0.032806
    63  C   -0.032275
    64  C   -0.033584
    65  C   -0.034065
    66  C   -0.005984
    67  C   -0.029863
    68  C   -0.032509
    69  C   -0.007449
    70  C   -0.034568
    71  C   -0.033117
    72  C   -0.032889
    73  C   -0.033817
    74  C   -0.006366
    75  C   -0.031376
    76  C   -0.028445
    77  C   -0.005343
    78  C   -0.033617
    79  C   -0.033249
   126  Cl  -0.772422
 Electronic spatial extent (au):  <R**2>=         156392.4913
 Charge=              0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              1.5863    Y=              2.2016    Z=             -8.9835  Tot=              9.3844
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=           -380.8587   YY=           -420.1742   ZZ=           -493.8266
   XY=             -8.7094   XZ=             19.3387   YZ=             40.9614
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             50.7611   YY=             11.4456   ZZ=            -62.2068
   XY=             -8.7094   XZ=             19.3387   YZ=             40.9614
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=           -188.2499  YYY=              5.7880  ZZZ=            -69.5804  XYY=             58.7084
  XXY=            -84.6116  XXZ=            -65.0518  XZZ=             47.9208  YZZ=             86.6472
  YYZ=           -116.2004  XYZ=            -95.2965
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=        -149522.8968 YYYY=         -49185.1141 ZZZZ=          -2300.6063 XXXY=           -448.3997
 XXXZ=            614.8608 YYYX=             51.7856 YYYZ=           1155.2912 ZZZX=            150.1461
 ZZZY=            265.6733 XXYY=         -33338.1543 XXZZ=         -28788.3522 YYZZ=          -9778.3210
 XXYZ=            793.5204 YYXZ=             -5.5430 ZZXY=           -176.6034
 N-N= 1.101019387637D+04 E-N=-3.035424316174D+04  KE= 3.567210243245D+03
 Calling FoFJK, ICntrl=      2127 FMM=T ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.036407136   -0.031065474    0.005220398
      2        6          -0.067583515   -0.034659987    0.000804633
      3        6          -0.021072722    0.040631985   -0.005304401
      4        6          -0.021862204    0.025362380   -0.004692991
      5        6           0.046538794    0.056995290   -0.003225921
      6        6           0.031158343    0.068029994   -0.006132269
      7        6          -0.024081690   -0.034872381    0.001104364
      8        6           0.002613017   -0.026937724    0.004291457
      9        6           0.015381290   -0.023580113    0.005750988
     10        6           0.021238645   -0.000528567    0.000954987
     11        6          -0.064007030    0.034784645   -0.009583169
     12        6           0.035650956    0.029720874   -0.000597821
     13        6           0.033899430   -0.070520755    0.011731952
     14        6           0.045211467   -0.056070248    0.009761656
     15        7          -0.011794651   -0.050604954    0.012459123
     16        6           0.019774808   -0.037684987    0.004362256
     17        6           0.027326027    0.009306594   -0.000066312
     18        7          -0.025954165    0.091861309   -0.010984344
     19        6           0.029317255   -0.066867585    0.011252407
     20        6           0.042954377   -0.068076792    0.010705979
     21        6          -0.050217797   -0.003808436   -0.003127933
     22        6           0.017637170    0.073579343   -0.005516229
     23        6          -0.035993602    0.016737528   -0.004017287
     24        6          -0.034237644   -0.016730211   -0.000844269
     25        6           0.033084839    0.022992935   -0.000221069
     26        6           0.048262333   -0.048561111    0.002107577
     27        6           0.024472141   -0.079688677   -0.004991244
     28        6           0.067609536    0.040773790    0.001502874
     29        6          -0.059846267    0.058753682    0.004545119
     30        6          -0.021456922    0.064384346   -0.001367467
     31        6           0.047395742    0.048459104    0.005563945
     32        6           0.021163403    0.079703721    0.009302161
     33        6           0.069145893   -0.040605203    0.007791801
     34        6          -0.057890997   -0.058526265   -0.013576346
     35        6          -0.019916007   -0.064242342   -0.002165977
     36        6           0.024073601   -0.063025704    0.004227341
     37        6           0.063843830   -0.053597772   -0.002385379
     38        6          -0.064768592   -0.046677620    0.000255398
     39        6          -0.030253852    0.077848925    0.002481415
     40        6          -0.049836305    0.045663621   -0.003839440
     41        7           0.014749875   -0.008876889    0.001636537
     42        7           0.016898081    0.010441555    0.000401480
     43        7          -0.015397857   -0.010524366    0.000100926
     44        6           0.024732514   -0.089883116    0.047981652
     45        6          -0.014911657   -0.042855132    0.010471379
     46        6          -0.044424976    0.006570729   -0.011726828
     47        6          -0.066893608    0.064063578   -0.048922983
     48        6          -0.071438770   -0.065721314    0.038459966
     49        6          -0.045638629   -0.007113228    0.005187490
     50        6          -0.014037439    0.042529213   -0.011958391
     51        6           0.030369761    0.090310292   -0.043212025
     52        6          -0.030394427    0.085991370   -0.051368975
     53        6           0.012190683    0.043207263   -0.012097301
     54        6           0.044778965   -0.003175156    0.011873190
     55        6           0.070545990   -0.058071523    0.051198367
     56        6          -0.053088263   -0.034627182    0.001346047
     57        6          -0.071315803   -0.000444506   -0.019053731
     58        6          -0.012212105    0.053166267   -0.033319548
     59        6           0.047668248    0.068755006   -0.026403644
     60        6           0.081930378    0.010331663    0.029439719
     61        6           0.040684098   -0.035739948    0.033954689
     62        6          -0.033789602   -0.063617912    0.016636081
     63        6          -0.054792247   -0.031114662   -0.003813315
     64        6          -0.055342482    0.030457412   -0.003724047
     65        6          -0.032082069    0.063347986   -0.020646316
     66        6           0.044570378    0.036628673   -0.027437453
     67        6           0.085494007   -0.008721374   -0.017602732
     68        6           0.044233649   -0.068430737    0.032388784
     69        6          -0.015698562   -0.053653828    0.030697313
     70        6          -0.073453727   -0.000655507    0.008718161
     71        6          -0.052740578    0.033713156   -0.008482037
     72        6           0.050693631    0.037674797   -0.002852028
     73        6           0.071228976    0.005755964    0.018785474
     74        6           0.015383966   -0.050974450    0.035272822
     75        6          -0.043163951   -0.070401836    0.029294914
     76        6          -0.081174531   -0.016522576   -0.028728286
     77        6          -0.042918455    0.031694705   -0.035169973
     78        6           0.029745325    0.064936769   -0.019204306
     79        6           0.052755684    0.034723048    0.002387469
     80        1          -0.005911092    0.010824390   -0.012403776
     81        1           0.004771650   -0.001094914    0.000282323
     82        1          -0.005785369   -0.015697608    0.001343520
     83        1          -0.006657810   -0.008855650    0.000276751
     84        1           0.005756929    0.001992176    0.000209718
     85        1          -0.005949008    0.009244491   -0.001501576
     86        1          -0.003055175    0.010083334   -0.002952298
     87        1          -0.002278284    0.010292625   -0.002888180
     88        1          -0.005042945    0.010351003   -0.001592102
     89        1           0.002186331   -0.010606883    0.000726358
     90        1          -0.005676758    0.009347921   -0.000107340
     91        1          -0.005910727    0.010063854    0.001182233
     92        1           0.006304191   -0.009897795   -0.001282699
     93        1           0.006213780   -0.008760786   -0.000029714
     94        1          -0.005400286   -0.009546799   -0.001039177
     95        1          -0.005524837   -0.009998986   -0.002198496
     96        1           0.005810030    0.009890117    0.002124177
     97        1           0.006116637    0.008819333    0.000875261
     98        1          -0.005896581    0.008793479   -0.000344303
     99        1          -0.006750324    0.009518695    0.000789578
    100        1           0.006611663   -0.009635840   -0.000891248
    101        1           0.006114612   -0.008914964    0.000143384
    102        1           0.008837395    0.005181559    0.000091195
    103        1           0.008949355   -0.000423237    0.004028773
    104        1           0.005598123   -0.007767940    0.006382377
    105        1          -0.001774194   -0.008484595    0.006366553
    106        1          -0.008090902    0.002377313   -0.006667643
    107        1          -0.004083977    0.008623796   -0.006385375
    108        1           0.003876003    0.008261475   -0.003758235
    109        1           0.008574686    0.005439295    0.000292214
    110        1           0.008623351   -0.005327000    0.000873301
    111        1           0.003404141   -0.008214238    0.004164317
    112        1          -0.004823932   -0.008766412    0.005617407
    113        1          -0.008910733   -0.002617444    0.005394761
    114        1          -0.000915928    0.008511406   -0.006548245
    115        1           0.006254999    0.007833615   -0.005424298
    116        1           0.009360569    0.000595055   -0.002725252
    117        1           0.008794259   -0.005023318    0.001087788
    118        1          -0.008470320   -0.005710374    0.000123556
    119        1          -0.008921584   -0.000324643   -0.004010950
    120        1          -0.006035621    0.007069028   -0.006652423
    121        1           0.001254798    0.008246191   -0.006790218
    122        1           0.008210110   -0.001632585    0.006641199
    123        1           0.004635935   -0.008107885    0.006667470
    124        1          -0.003322065   -0.008314507    0.004073506
    125        1          -0.008212913   -0.005993826   -0.000047432
    126       17           0.000011276   -0.003473284    0.002436753
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.091861309 RMS     0.031970674

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.140380697 RMS     0.029675151
 Search for a local minimum.
 Step number   1 out of a maximum of  756
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- RFO/linear search
 Second derivative matrix not updated -- first step.
 ITU=  0
     Eigenvalues ---    0.02029   0.02575   0.02577   0.02594   0.02666
     Eigenvalues ---    0.02675   0.02686   0.02687   0.02693   0.02698
     Eigenvalues ---    0.02701   0.02701   0.02703   0.02708   0.02710
     Eigenvalues ---    0.02712   0.02722   0.02742   0.02743   0.02754
     Eigenvalues ---    0.02758   0.02762   0.02768   0.02769   0.02771
     Eigenvalues ---    0.02773   0.02786   0.02789   0.02789   0.02790
     Eigenvalues ---    0.02790   0.02790   0.02793   0.02793   0.02793
     Eigenvalues ---    0.02793   0.02793   0.02794   0.02794   0.02801
     Eigenvalues ---    0.02801   0.02803   0.02810   0.02810   0.02810
     Eigenvalues ---    0.02816   0.02817   0.02817   0.02817   0.02822
     Eigenvalues ---    0.02823   0.02825   0.02825   0.02825   0.02825
     Eigenvalues ---    0.02825   0.02825   0.02825   0.02826   0.02826
     Eigenvalues ---    0.02829   0.02837   0.02839   0.02847   0.02847
     Eigenvalues ---    0.02847   0.02847   0.02847   0.02847   0.02853
     Eigenvalues ---    0.02857   0.02859   0.02864   0.02871   0.02871
     Eigenvalues ---    0.02871   0.02875   0.02875   0.02875   0.02879
     Eigenvalues ---    0.02879   0.02879   0.02879   0.02880   0.02880
     Eigenvalues ---    0.02884   0.02885   0.02885   0.02885   0.02885
     Eigenvalues ---    0.02885   0.02885   0.02885   0.02886   0.02897
     Eigenvalues ---    0.02899   0.02899   0.02899   0.02910   0.02910
     Eigenvalues ---    0.02910   0.02910   0.02912   0.02912   0.02916
     Eigenvalues ---    0.02929   0.02930   0.02930   0.02964   0.02964
     Eigenvalues ---    0.02965   0.02975   0.03025   0.03026   0.03026
     Eigenvalues ---    0.03048   0.03136   0.03136   0.03136   0.03149
     Eigenvalues ---    0.03150   0.03151   0.03268   0.06608   0.15873
     Eigenvalues ---    0.15915   0.15915   0.15918   0.15925   0.15925
     Eigenvalues ---    0.15928   0.15974   0.15974   0.15974   0.15974
     Eigenvalues ---    0.15974   0.15974   0.15984   0.15984   0.15984
     Eigenvalues ---    0.15984   0.15984   0.15984   0.15988   0.15988
     Eigenvalues ---    0.15990   0.15991   0.15992   0.15993   0.15993
     Eigenvalues ---    0.15993   0.15993   0.15993   0.15993   0.15994
     Eigenvalues ---    0.15996   0.15997   0.15998   0.15998   0.15998
     Eigenvalues ---    0.15998   0.15998   0.15998   0.15999   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16933   0.21995   0.21995   0.21995   0.21995
     Eigenvalues ---    0.21995   0.21995   0.22008   0.22009   0.22009
     Eigenvalues ---    0.22409   0.22418   0.22431   0.22588   0.22588
     Eigenvalues ---    0.22588   0.22593   0.22593   0.22593   0.22912
     Eigenvalues ---    0.22912   0.22913   0.23459   0.23477   0.23496
     Eigenvalues ---    0.23550   0.24003   0.24004   0.24004   0.24396
     Eigenvalues ---    0.24397   0.24397   0.24447   0.24447   0.24448
     Eigenvalues ---    0.24601   0.24609   0.24632   0.24866   0.24866
     Eigenvalues ---    0.24866   0.24930   0.24930   0.24930   0.24985
     Eigenvalues ---    0.24991   0.24996   0.24997   0.24999   0.25000
     Eigenvalues ---    0.25000   0.25000   0.25000   0.25000   0.25000
     Eigenvalues ---    0.25000   0.25000   0.25000   0.25000   0.25000
     Eigenvalues ---    0.25000   0.33221   0.33248   0.33251   0.33253
     Eigenvalues ---    0.33255   0.33257   0.33257   0.33301   0.33390
     Eigenvalues ---    0.33391   0.33394   0.33398   0.33401   0.33401
     Eigenvalues ---    0.33561   0.33566   0.33569   0.33570   0.33573
     Eigenvalues ---    0.33578   0.33612   0.33614   0.33641   0.33644
     Eigenvalues ---    0.33646   0.33656   0.33675   0.33688   0.33703
     Eigenvalues ---    0.33711   0.33730   0.33809   0.33828   0.33830
     Eigenvalues ---    0.33833   0.33836   0.33842   0.33929   0.33929
     Eigenvalues ---    0.33931   0.33933   0.33937   0.33941   0.34987
     Eigenvalues ---    0.35006   0.42297   0.43307   0.43309   0.43312
     Eigenvalues ---    0.44317   0.45009   0.47753   0.48383   0.48384
     Eigenvalues ---    0.48386   0.48483   0.48559   0.48562   0.48592
     Eigenvalues ---    0.48756   0.49242   0.49930   0.49933   0.49937
     Eigenvalues ---    0.50071   0.50073   0.50075   0.50267   0.50267
     Eigenvalues ---    0.50291   0.50411   0.52190   0.52291   0.52330
     Eigenvalues ---    0.52571   0.52581   0.53725   0.53735   0.53740
     Eigenvalues ---    0.53919   0.53975   0.53978   0.53980   0.54343
     Eigenvalues ---    0.54448   0.54949   0.55186   0.55193   0.55314
     Eigenvalues ---    0.55318   0.55350   0.55353   0.55383   0.55386
     Eigenvalues ---    0.55402   0.55454   0.55747   0.55748   0.55754
     Eigenvalues ---    0.55847   0.55909   0.55912   0.55915   0.56105
     Eigenvalues ---    0.56107   0.56108   0.56166   0.56281   0.56282
     Eigenvalues ---    0.56289   0.56655   0.56657   0.56658   0.56663
     Eigenvalues ---    0.56667   0.56667   0.56674   0.56780   0.56801
     Eigenvalues ---    0.56850   0.56855   0.56855   0.57166   0.57167
     Eigenvalues ---    0.57169   0.57179   0.57179   0.57181   0.59498
     Eigenvalues ---    0.63762   0.65995   0.65996   0.65997   0.67414
     Eigenvalues ---    0.67423   0.67432   0.70098   0.70120   0.70140
     Eigenvalues ---    0.73630   0.76346
 RFO step:  Lambda=-5.75825103D-01 EMin= 2.02948930D-02
 Linear search not attempted -- first point.
 Maximum step size (   0.300) exceeded in Quadratic search.
    -- Step size scaled by   0.425
 Iteration  1 RMS(Cart)=  0.08829310 RMS(Int)=  0.00006041
 Iteration  2 RMS(Cart)=  0.00028681 RMS(Int)=  0.00000488
 Iteration  3 RMS(Cart)=  0.00000002 RMS(Int)=  0.00000488
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        2.55516   0.05691   0.00000   0.02150   0.02150   2.57666
    R2        2.54228   0.07893   0.00000   0.02949   0.02949   2.57177
    R3        2.57622   0.10796   0.00000   0.04180   0.04180   2.61802
    R4        2.56142   0.05467   0.00000   0.02084   0.02084   2.58226
    R5        2.05695  -0.00367   0.00000  -0.00169  -0.00169   2.05527
    R6        2.55043   0.08290   0.00000   0.03161   0.03162   2.58206
    R7        2.57200   0.10378   0.00000   0.04004   0.04004   2.61204
    R8        2.54581   0.06399   0.00000   0.02413   0.02413   2.56994
    R9        2.55318   0.10997   0.00000   0.04186   0.04187   2.59505
   R10        2.53024   0.05051   0.00000   0.01870   0.01870   2.54894
   R11        2.08526  -0.01357   0.00000  -0.00635  -0.00635   2.07891
   R12        2.07821  -0.00956   0.00000  -0.00446  -0.00446   2.07375
   R13        2.55802   0.08284   0.00000   0.03124   0.03123   2.58925
   R14        2.56149   0.05179   0.00000   0.01972   0.01972   2.58121
   R15        2.56117   0.08269   0.00000   0.03130   0.03129   2.59246
   R16        2.54666   0.06824   0.00000   0.02568   0.02568   2.57234
   R17        2.54901   0.09255   0.00000   0.03453   0.03453   2.58354
   R18        2.48273   0.05173   0.00000   0.01726   0.01725   2.49997
   R19        2.39952   0.09025   0.00000   0.02918   0.02919   2.42871
   R20        2.55313   0.06113   0.00000   0.02312   0.02312   2.57625
   R21        2.05665  -0.00415   0.00000  -0.00190  -0.00190   2.05475
   R22        2.54049   0.07967   0.00000   0.02981   0.02981   2.57031
   R23        2.57584   0.10560   0.00000   0.04087   0.04087   2.61671
   R24        2.53077   0.04629   0.00000   0.01718   0.01718   2.54795
   R25        2.07860  -0.00999   0.00000  -0.00466  -0.00466   2.07394
   R26        2.07882  -0.00856   0.00000  -0.00399  -0.00399   2.07483
   R27        2.46795   0.07007   0.00000   0.02366   0.02365   2.49160
   R28        1.94209  -0.01200   0.00000  -0.00510  -0.00510   1.93700
   R29        5.31381   0.00417   0.00000   0.00276   0.00276   5.31657
   R30        2.52673   0.09498   0.00000   0.03570   0.03572   2.56245
   R31        2.53626   0.06801   0.00000   0.02537   0.02536   2.56162
   R32        2.38794   0.11527   0.00000   0.03688   0.03689   2.42483
   R33        2.54508   0.07341   0.00000   0.02783   0.02784   2.57292
   R34        2.53666   0.04294   0.00000   0.01573   0.01572   2.55238
   R35        2.08665  -0.01072   0.00000  -0.00502  -0.00502   2.08162
   R36        2.55364   0.08511   0.00000   0.03190   0.03189   2.58554
   R37        2.07788  -0.00975   0.00000  -0.00454  -0.00454   2.07334
   R38        2.55569   0.05044   0.00000   0.01910   0.01910   2.57479
   R39        2.57347   0.10928   0.00000   0.04220   0.04220   2.61567
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   R41        2.54903   0.06782   0.00000   0.02554   0.02554   2.57457
   R42        2.54943   0.06776   0.00000   0.02552   0.02552   2.57495
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   R44        2.54951   0.06806   0.00000   0.02564   0.02564   2.57515
   R45        2.54810   0.06842   0.00000   0.02575   0.02575   2.57385
   R46        2.54815   0.06857   0.00000   0.02580   0.02580   2.57395
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   R49        2.54736   0.07014   0.00000   0.02643   0.02643   2.57379
   R50        2.07618  -0.01079   0.00000  -0.00502  -0.00502   2.07116
   R51        2.54727   0.07054   0.00000   0.02658   0.02658   2.57385
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   R85        2.53155   0.06649   0.00000   0.02468   0.02468   2.55624
   R86        2.54863   0.06405   0.00000   0.02422   0.02422   2.57285
   R87        2.54048   0.08579   0.00000   0.03191   0.03192   2.57239
   R88        2.54871   0.06415   0.00000   0.02426   0.02426   2.57298
   R89        2.51656   0.13207   0.00000   0.04711   0.04710   2.56365
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   R91        2.54045   0.08571   0.00000   0.03187   0.03188   2.57233
   R92        2.53172   0.06649   0.00000   0.02468   0.02469   2.55641
   R93        2.54877   0.06408   0.00000   0.02423   0.02423   2.57300
   R94        2.54050   0.08566   0.00000   0.03185   0.03186   2.57236
   R95        2.54862   0.06409   0.00000   0.02424   0.02424   2.57285
   R96        2.51661   0.13215   0.00000   0.04713   0.04712   2.56374
   R97        2.53174   0.06643   0.00000   0.02466   0.02466   2.55640
   R98        2.54045   0.08571   0.00000   0.03187   0.03188   2.57233
   R99        2.53167   0.06646   0.00000   0.02467   0.02467   2.55634
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   R108       2.54106   0.05406   0.00000   0.02017   0.02017   2.56123
   R109       2.07450  -0.00915   0.00000  -0.00425  -0.00425   2.07025
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   R117       2.53389   0.07028   0.00000   0.02596   0.02595   2.55984
   R118       2.08364  -0.00977   0.00000  -0.00457  -0.00457   2.07908
   R119       2.54100   0.05406   0.00000   0.02017   0.02016   2.56116
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   R121       2.07437  -0.00912   0.00000  -0.00424  -0.00424   2.07012
   R122       2.54103   0.05414   0.00000   0.02020   0.02019   2.56123
   R123       2.07444  -0.00913   0.00000  -0.00424  -0.00424   2.07019
   R124       2.53385   0.07025   0.00000   0.02594   0.02593   2.55978
   R125       2.08602  -0.01100   0.00000  -0.00515  -0.00515   2.08087
   R126       2.53219   0.05909   0.00000   0.02181   0.02181   2.55400
   R127       2.08352  -0.00971   0.00000  -0.00454  -0.00454   2.07898
   R128       2.08062  -0.00960   0.00000  -0.00448  -0.00448   2.07614
   R129       2.53218   0.05915   0.00000   0.02183   0.02183   2.55401
   R130       2.08068  -0.00963   0.00000  -0.00450  -0.00450   2.07619
   R131       2.53390   0.07017   0.00000   0.02592   0.02591   2.55981
   R132       2.08353  -0.00973   0.00000  -0.00455  -0.00455   2.07898
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    A2        2.16816  -0.00969   0.00000  -0.00494  -0.00494   2.16322
    A3        2.14133  -0.00006   0.00000   0.00002   0.00002   2.14135
    A4        2.22445  -0.01091   0.00000  -0.00586  -0.00586   2.21859
    A5        2.00494   0.00880   0.00000   0.00486   0.00486   2.00980
    A6        2.05354   0.00211   0.00000   0.00099   0.00099   2.05453
    A7        2.03324   0.00573   0.00000   0.00300   0.00300   2.03625
    A8        2.17409  -0.00737   0.00000  -0.00401  -0.00401   2.17007
    A9        2.07578   0.00165   0.00000   0.00101   0.00101   2.07680
   A10        2.06114   0.00000   0.00000   0.00006   0.00006   2.06119
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   A12        2.10651   0.00366   0.00000   0.00147   0.00146   2.10797
   A13        2.14309  -0.00438   0.00000  -0.00208  -0.00208   2.14102
   A14        2.13495  -0.00810   0.00000  -0.00491  -0.00491   2.13004
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   A16        2.13071  -0.00019   0.00000  -0.00005  -0.00005   2.13066
   A17        2.15364  -0.00572   0.00000  -0.00334  -0.00333   2.15031
   A18        1.99878   0.00590   0.00000   0.00338   0.00338   2.00216
   A19        2.08704   0.00291   0.00000   0.00117   0.00116   2.08820
   A20        2.15146  -0.00313   0.00000  -0.00134  -0.00133   2.15012
   A21        2.04465   0.00022   0.00000   0.00016   0.00017   2.04482
   A22        2.11605  -0.00415   0.00000  -0.00286  -0.00287   2.11318
   A23        2.03941   0.00591   0.00000   0.00336   0.00336   2.04277
   A24        2.12768  -0.00176   0.00000  -0.00050  -0.00049   2.12719
   A25        2.07441   0.01098   0.00000   0.00614   0.00614   2.08055
   A26        2.16322  -0.01619   0.00000  -0.00715  -0.00713   2.15609
   A27        2.04554   0.00520   0.00000   0.00100   0.00099   2.04653
   A28        2.09750  -0.00773   0.00000  -0.00393  -0.00393   2.09357
   A29        2.06188   0.01376   0.00000   0.00689   0.00689   2.06877
   A30        2.12331  -0.00601   0.00000  -0.00295  -0.00295   2.12035
   A31        2.22659  -0.00981   0.00000  -0.00537  -0.00537   2.22122
   A32        2.05491   0.00031   0.00000   0.00003   0.00003   2.05494
   A33        2.00145   0.00948   0.00000   0.00533   0.00533   2.00678
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   A39        2.00184   0.00639   0.00000   0.00360   0.00360   2.00544
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   A41        2.14781  -0.00388   0.00000  -0.00240  -0.00240   2.14541
   A42        1.97865   0.00987   0.00000   0.00555   0.00555   1.98420
   A43        2.10115   0.02046   0.00000   0.00873   0.00871   2.10986
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   A45        1.66123  -0.00043   0.00000   0.00026   0.00025   1.66148
   A46        2.03926  -0.00509   0.00000  -0.00138  -0.00136   2.03790
   A47        1.66690  -0.00007   0.00000   0.00044   0.00044   1.66733
   A48        2.08496  -0.00839   0.00000  -0.00507  -0.00508   2.07988
   A49        2.14406   0.00280   0.00000   0.00132   0.00131   2.14537
   A50        2.05414   0.00559   0.00000   0.00376   0.00376   2.05790
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   A52        2.09625  -0.00840   0.00000  -0.00424  -0.00424   2.09201
   A53        2.08691   0.01219   0.00000   0.00498   0.00496   2.09187
   A54        2.11047  -0.00745   0.00000  -0.00095  -0.00092   2.10955
   A55        2.11236  -0.00457   0.00000  -0.00257  -0.00258   2.10978
   A56        2.09653   0.00101   0.00000   0.00055   0.00055   2.09708
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   A77        2.13268  -0.00319   0.00000  -0.00192  -0.00192   2.13076
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   A80        1.98608   0.00942   0.00000   0.00518   0.00518   1.99126
   A81        2.11592   0.00007   0.00000  -0.00023  -0.00023   2.11569
   A82        1.93882   0.01490   0.00000   0.00786   0.00786   1.94668
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   A84        2.17122  -0.00727   0.00000  -0.00384  -0.00384   2.16739
   A85        2.17690  -0.00983   0.00000  -0.00512  -0.00512   2.17178
   A86        2.11483   0.00017   0.00000  -0.00018  -0.00018   2.11465
   A87        1.98621   0.00964   0.00000   0.00530   0.00530   1.99151
   A88        2.16110  -0.00243   0.00000  -0.00127  -0.00127   2.15983
   A89        2.13822  -0.00389   0.00000  -0.00231  -0.00231   2.13591
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   A91        2.16241  -0.00249   0.00000  -0.00130  -0.00130   2.16110
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   A96        2.11580  -0.00005   0.00000  -0.00029  -0.00029   2.11551
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   A98        2.17272  -0.00740   0.00000  -0.00390  -0.00390   2.16882
   A99        2.17157  -0.00710   0.00000  -0.00374  -0.00374   2.16783
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   A107       2.13292  -0.00317   0.00000  -0.00190  -0.00190   2.13102
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   A112       1.94019   0.01461   0.00000   0.00767   0.00767   1.94786
   A113       2.17138  -0.00715   0.00000  -0.00376  -0.00376   2.16763
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   A115       2.17600  -0.00931   0.00000  -0.00487  -0.00487   2.17113
   A116       2.11634  -0.00013   0.00000  -0.00033  -0.00033   2.11601
   A117       1.98575   0.00943   0.00000   0.00520   0.00520   1.99095
   A118       2.15937  -0.00219   0.00000  -0.00114  -0.00114   2.15823
   A119       2.13382  -0.00350   0.00000  -0.00209  -0.00209   2.13173
   A120       1.98948   0.00570   0.00000   0.00323   0.00323   1.99271
   A121       2.21278  -0.00219   0.00000  -0.00223  -0.00224   2.21054
   A122       2.21384  -0.00269   0.00000  -0.00248  -0.00249   2.21135
   A123       1.85657   0.00489   0.00000   0.00471   0.00473   1.86129
   A124       2.21315  -0.00248   0.00000  -0.00239  -0.00239   2.21075
   A125       2.21187  -0.00194   0.00000  -0.00211  -0.00212   2.20976
   A126       1.85816   0.00442   0.00000   0.00449   0.00451   1.86268
   A127       2.21225  -0.00219   0.00000  -0.00223  -0.00224   2.21001
   A128       2.21348  -0.00246   0.00000  -0.00237  -0.00238   2.21110
   A129       1.85746   0.00465   0.00000   0.00460   0.00462   1.86208
   A130       1.93487  -0.01287   0.00000  -0.00599  -0.00599   1.92888
   A131       2.33858  -0.00413   0.00000  -0.00262  -0.00263   2.33595
   A132       2.00579   0.01695   0.00000   0.00859   0.00859   2.01439
   A133       1.84841   0.01068   0.00000   0.00376   0.00374   1.85215
   A134       2.18026  -0.02064   0.00000  -0.00965  -0.00963   2.17064
   A135       2.25446   0.00995   0.00000   0.00589   0.00588   2.26035
   A136       1.84833   0.01072   0.00000   0.00378   0.00376   1.85210
   A137       2.25454   0.00990   0.00000   0.00586   0.00585   2.26039
   A138       2.18025  -0.02062   0.00000  -0.00963  -0.00962   2.17064
   A139       1.93487  -0.01295   0.00000  -0.00603  -0.00603   1.92884
   A140       2.33870  -0.00402   0.00000  -0.00257  -0.00258   2.33612
   A141       2.00564   0.01692   0.00000   0.00857   0.00857   2.01422
   A142       1.93605  -0.01314   0.00000  -0.00614  -0.00614   1.92992
   A143       2.33791  -0.00381   0.00000  -0.00246  -0.00247   2.33544
   A144       2.00526   0.01690   0.00000   0.00857   0.00857   2.01383
   A145       1.84799   0.01068   0.00000   0.00377   0.00376   1.85175
   A146       2.18051  -0.02064   0.00000  -0.00965  -0.00964   2.17087
   A147       2.25463   0.00997   0.00000   0.00588   0.00587   2.26050
   A148       1.84793   0.01070   0.00000   0.00378   0.00377   1.85170
   A149       2.25468   0.00998   0.00000   0.00589   0.00588   2.26056
   A150       2.18052  -0.02068   0.00000  -0.00967  -0.00965   2.17087
   A151       1.93610  -0.01311   0.00000  -0.00612  -0.00612   1.92998
   A152       2.33783  -0.00395   0.00000  -0.00253  -0.00254   2.33529
   A153       2.00531   0.01701   0.00000   0.00862   0.00863   2.01394
   A154       1.93529  -0.01299   0.00000  -0.00606  -0.00606   1.92924
   A155       2.33827  -0.00403   0.00000  -0.00257  -0.00258   2.33569
   A156       2.00563   0.01697   0.00000   0.00860   0.00860   2.01423
   A157       1.84826   0.01067   0.00000   0.00376   0.00375   1.85201
   A158       2.18035  -0.02065   0.00000  -0.00965  -0.00964   2.17072
   A159       2.25451   0.00998   0.00000   0.00589   0.00589   2.26039
   A160       1.84814   0.01071   0.00000   0.00378   0.00377   1.85191
   A161       2.25455   0.00998   0.00000   0.00589   0.00589   2.26043
   A162       2.18045  -0.02069   0.00000  -0.00968  -0.00966   2.17079
   A163       1.93549  -0.01303   0.00000  -0.00608  -0.00607   1.92942
   A164       2.33819  -0.00398   0.00000  -0.00255  -0.00256   2.33564
   A165       2.00557   0.01696   0.00000   0.00859   0.00860   2.01417
   A166       2.06361   0.00529   0.00000   0.00268   0.00269   2.06630
   A167       2.12912  -0.00619   0.00000  -0.00339  -0.00339   2.12573
   A168       2.09034   0.00090   0.00000   0.00071   0.00070   2.09104
   A169       2.07714   0.00449   0.00000   0.00199   0.00198   2.07912
   A170       2.10185  -0.00201   0.00000  -0.00086  -0.00086   2.10099
   A171       2.10332  -0.00244   0.00000  -0.00111  -0.00111   2.10221
   A172       2.11226   0.00379   0.00000   0.00169   0.00167   2.11393
   A173       2.07762   0.00123   0.00000   0.00096   0.00097   2.07860
   A174       2.09274  -0.00499   0.00000  -0.00263  -0.00263   2.09011
   A175       2.12385  -0.00987   0.00000  -0.00530  -0.00530   2.11855
   A176       2.16131  -0.00073   0.00000  -0.00062  -0.00062   2.16069
   A177       1.99661   0.01060   0.00000   0.00592   0.00593   2.00253
   A178       2.12370  -0.00985   0.00000  -0.00529  -0.00530   2.11840
   A179       2.16098  -0.00071   0.00000  -0.00061  -0.00061   2.16037
   A180       1.99709   0.01057   0.00000   0.00591   0.00591   2.00300
   A181       2.11232   0.00375   0.00000   0.00167   0.00166   2.11398
   A182       2.09275  -0.00498   0.00000  -0.00263  -0.00262   2.09013
   A183       2.07755   0.00126   0.00000   0.00098   0.00099   2.07854
   A184       2.07733   0.00446   0.00000   0.00198   0.00197   2.07931
   A185       2.10331  -0.00244   0.00000  -0.00111  -0.00111   2.10220
   A186       2.10168  -0.00199   0.00000  -0.00085  -0.00085   2.10084
   A187       2.06338   0.00533   0.00000   0.00270   0.00270   2.06609
   A188       2.12906  -0.00619   0.00000  -0.00338  -0.00339   2.12567
   A189       2.09064   0.00086   0.00000   0.00069   0.00068   2.09132
   A190       2.06354   0.00529   0.00000   0.00268   0.00269   2.06623
   A191       2.12898  -0.00618   0.00000  -0.00338  -0.00339   2.12559
   A192       2.09056   0.00088   0.00000   0.00070   0.00069   2.09125
   A193       2.07708   0.00448   0.00000   0.00199   0.00198   2.07906
   A194       2.10185  -0.00201   0.00000  -0.00086  -0.00086   2.10099
   A195       2.10338  -0.00244   0.00000  -0.00111  -0.00111   2.10227
   A196       2.11236   0.00380   0.00000   0.00169   0.00168   2.11403
   A197       2.07760   0.00123   0.00000   0.00097   0.00097   2.07857
   A198       2.09268  -0.00500   0.00000  -0.00264  -0.00263   2.09004
   A199       2.12396  -0.00991   0.00000  -0.00532  -0.00533   2.11863
   A200       2.16086  -0.00072   0.00000  -0.00062  -0.00061   2.16025
   A201       1.99695   0.01063   0.00000   0.00594   0.00595   2.00290
   A202       2.12415  -0.00988   0.00000  -0.00530  -0.00531   2.11884
   A203       2.16118  -0.00080   0.00000  -0.00066  -0.00066   2.16052
   A204       1.99644   0.01068   0.00000   0.00597   0.00597   2.00242
   A205       2.11215   0.00383   0.00000   0.00171   0.00169   2.11384
   A206       2.09266  -0.00497   0.00000  -0.00262  -0.00262   2.09004
   A207       2.07782   0.00118   0.00000   0.00093   0.00094   2.07876
   A208       2.07723   0.00442   0.00000   0.00196   0.00195   2.07917
   A209       2.10324  -0.00240   0.00000  -0.00109  -0.00108   2.10215
   A210       2.10185  -0.00200   0.00000  -0.00085  -0.00085   2.10100
   A211       2.06346   0.00537   0.00000   0.00272   0.00273   2.06620
   A212       2.12907  -0.00622   0.00000  -0.00341  -0.00341   2.12566
   A213       2.09054   0.00085   0.00000   0.00068   0.00068   2.09122
   A214       2.06341   0.00535   0.00000   0.00271   0.00272   2.06613
   A215       2.12913  -0.00622   0.00000  -0.00340  -0.00341   2.12572
   A216       2.09054   0.00086   0.00000   0.00069   0.00068   2.09123
   A217       2.07726   0.00445   0.00000   0.00198   0.00197   2.07923
   A218       2.10163  -0.00198   0.00000  -0.00084  -0.00084   2.10079
   A219       2.10343  -0.00245   0.00000  -0.00112  -0.00111   2.10232
   A220       2.11230   0.00377   0.00000   0.00168   0.00166   2.11397
   A221       2.07766   0.00123   0.00000   0.00096   0.00097   2.07863
   A222       2.09268  -0.00497   0.00000  -0.00262  -0.00262   2.09006
   A223       2.12381  -0.00984   0.00000  -0.00528  -0.00529   2.11852
   A224       2.16090  -0.00074   0.00000  -0.00063  -0.00062   2.16027
   A225       1.99705   0.01058   0.00000   0.00592   0.00592   2.00297
   A226       2.12377  -0.00989   0.00000  -0.00531  -0.00531   2.11845
   A227       2.16095  -0.00068   0.00000  -0.00060  -0.00059   2.16036
   A228       1.99703   0.01057   0.00000   0.00591   0.00591   2.00294
   A229       2.11231   0.00378   0.00000   0.00169   0.00167   2.11399
   A230       2.09261  -0.00500   0.00000  -0.00264  -0.00263   2.08998
   A231       2.07770   0.00124   0.00000   0.00097   0.00098   2.07867
   A232       2.07730   0.00445   0.00000   0.00198   0.00197   2.07927
   A233       2.10324  -0.00242   0.00000  -0.00110  -0.00110   2.10214
   A234       2.10177  -0.00200   0.00000  -0.00086  -0.00085   2.10092
   A235       2.06339   0.00532   0.00000   0.00270   0.00270   2.06609
   A236       2.12919  -0.00620   0.00000  -0.00340  -0.00340   2.12580
   A237       2.09049   0.00088   0.00000   0.00070   0.00070   2.09118
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    D2        3.11029   0.00012   0.00000   0.00010   0.00010   3.11039
    D3        3.13900  -0.00002   0.00000  -0.00001  -0.00001   3.13899
    D4       -0.02781  -0.00003   0.00000  -0.00001  -0.00001  -0.02782
    D5       -0.00109  -0.00006   0.00000  -0.00004  -0.00004  -0.00113
    D6        3.12937  -0.00021   0.00000  -0.00015  -0.00015   3.12922
    D7        3.13707   0.00007   0.00000   0.00006   0.00006   3.13713
    D8       -0.01566  -0.00008   0.00000  -0.00005  -0.00005  -0.01571
    D9        3.05794  -0.00114   0.00000  -0.00081  -0.00081   3.05713
   D10       -0.08461  -0.00114   0.00000  -0.00081  -0.00081  -0.08542
   D11       -0.07983  -0.00133   0.00000  -0.00094  -0.00094  -0.08077
   D12        3.06080  -0.00132   0.00000  -0.00094  -0.00094   3.05987
   D13        0.01065  -0.00011   0.00000  -0.00007  -0.00007   0.01058
   D14        3.13914   0.00043   0.00000   0.00031   0.00031   3.13945
   D15       -3.10510  -0.00018   0.00000  -0.00012  -0.00012  -3.10522
   D16        0.02338   0.00036   0.00000   0.00026   0.00026   0.02365
   D17       -0.00767  -0.00006   0.00000  -0.00004  -0.00004  -0.00771
   D18        3.13126  -0.00005   0.00000  -0.00002  -0.00002   3.13124
   D19       -3.13693  -0.00050   0.00000  -0.00036  -0.00036  -3.13730
   D20        0.00200  -0.00049   0.00000  -0.00035  -0.00035   0.00166
   D21       -3.12270  -0.00016   0.00000  -0.00011  -0.00011  -3.12280
   D22        0.02871  -0.00001   0.00000  -0.00001  -0.00001   0.02870
   D23        0.00549   0.00042   0.00000   0.00030   0.00030   0.00579
   D24       -3.12629   0.00057   0.00000   0.00040   0.00040  -3.12589
   D25        0.00151   0.00005   0.00000   0.00005   0.00005   0.00156
   D26       -3.13382   0.00001   0.00000   0.00002   0.00002  -3.13380
   D27       -3.13744   0.00005   0.00000   0.00004   0.00003  -3.13740
   D28        0.01042   0.00001   0.00000   0.00001   0.00000   0.01042
   D29       -0.00402   0.00003   0.00000   0.00001   0.00001  -0.00401
   D30       -3.11242  -0.00021   0.00000  -0.00020  -0.00020  -3.11263
   D31        3.13484   0.00004   0.00000   0.00003   0.00003   3.13487
   D32        0.02644  -0.00020   0.00000  -0.00019  -0.00019   0.02626
   D33        0.00319  -0.00004   0.00000  -0.00003  -0.00003   0.00317
   D34       -3.12818   0.00016   0.00000   0.00011   0.00011  -3.12807
   D35        3.13895  -0.00007   0.00000  -0.00004  -0.00004   3.13891
   D36        0.00758   0.00014   0.00000   0.00010   0.00010   0.00768
   D37       -0.01119   0.00015   0.00000   0.00011   0.00011  -0.01107
   D38        3.13988   0.00074   0.00000   0.00052   0.00052   3.14040
   D39        3.12119  -0.00001   0.00000   0.00001   0.00001   3.12120
   D40       -0.01093   0.00058   0.00000   0.00042   0.00042  -0.01051
   D41       -3.13948  -0.00061   0.00000  -0.00042  -0.00042  -3.13989
   D42        0.02657  -0.00026   0.00000  -0.00017  -0.00017   0.02639
   D43        0.01170  -0.00048   0.00000  -0.00033  -0.00032   0.01138
   D44       -3.10544  -0.00013   0.00000  -0.00008  -0.00008  -3.10552
   D45        0.00914  -0.00059   0.00000  -0.00043  -0.00043   0.00871
   D46       -3.12595  -0.00003   0.00000  -0.00007  -0.00007  -3.12602
   D47        3.14078  -0.00118   0.00000  -0.00084  -0.00084   3.13994
   D48        0.00568  -0.00062   0.00000  -0.00048  -0.00048   0.00520
   D49        0.00456  -0.00053   0.00000  -0.00036  -0.00036   0.00421
   D50       -3.13882  -0.00116   0.00000  -0.00081  -0.00081  -3.13962
   D51       -3.12749   0.00009   0.00000   0.00007   0.00007  -3.12742
   D52        0.01232  -0.00055   0.00000  -0.00038  -0.00038   0.01193
   D53       -0.00151   0.00050   0.00000   0.00037   0.00037  -0.00114
   D54        3.10569   0.00113   0.00000   0.00079   0.00079   3.10648
   D55        3.13402  -0.00010   0.00000   0.00000   0.00000   3.13402
   D56       -0.04196   0.00053   0.00000   0.00042   0.00042  -0.04155
   D57       -3.12339  -0.00004   0.00000  -0.00007  -0.00007  -3.12346
   D58       -0.11069   0.00186   0.00000   0.00128   0.00127  -0.10942
   D59        1.42338  -0.00359   0.00000  -0.00241  -0.00241   1.42097
   D60        0.02460   0.00048   0.00000   0.00027   0.00027   0.02487
   D61        3.03730   0.00238   0.00000   0.00161   0.00161   3.03891
   D62       -1.71181  -0.00306   0.00000  -0.00207  -0.00207  -1.71388
   D63       -3.12634  -0.00107   0.00000  -0.00060  -0.00060  -3.12694
   D64        0.04897  -0.00128   0.00000  -0.00081  -0.00080   0.04816
   D65       -0.00437   0.00000   0.00000   0.00001   0.00001  -0.00436
   D66        3.14043   0.00011   0.00000   0.00008   0.00008   3.14050
   D67        3.11341  -0.00043   0.00000  -0.00029  -0.00029   3.11312
   D68       -0.02498  -0.00033   0.00000  -0.00022  -0.00022  -0.02520
   D69       -0.00310   0.00016   0.00000   0.00011   0.00011  -0.00299
   D70        3.13167   0.00028   0.00000   0.00020   0.00020   3.13187
   D71        3.13535   0.00004   0.00000   0.00004   0.00004   3.13538
   D72       -0.01306   0.00016   0.00000   0.00012   0.00012  -0.01294
   D73        3.06487  -0.00122   0.00000  -0.00086  -0.00086   3.06401
   D74       -0.07754  -0.00117   0.00000  -0.00083  -0.00083  -0.07837
   D75       -0.07321  -0.00113   0.00000  -0.00080  -0.00080  -0.07400
   D76        3.06757  -0.00108   0.00000  -0.00077  -0.00077   3.06680
   D77        0.00291   0.00007   0.00000   0.00005   0.00005   0.00296
   D78       -3.13705   0.00066   0.00000   0.00047   0.00047  -3.13658
   D79       -3.13240  -0.00001   0.00000  -0.00001  -0.00001  -3.13241
   D80        0.01083   0.00058   0.00000   0.00041   0.00041   0.01124
   D81       -0.01443  -0.00075   0.00000  -0.00046  -0.00046  -0.01489
   D82        3.13501  -0.00081   0.00000  -0.00052  -0.00052   3.13449
   D83       -3.03407  -0.00168   0.00000  -0.00126  -0.00126  -3.03533
   D84        0.11537  -0.00175   0.00000  -0.00132  -0.00132   0.11405
   D85        1.71878   0.00268   0.00000   0.00180   0.00181   1.72058
   D86       -1.41497   0.00261   0.00000   0.00174   0.00175  -1.41322
   D87        0.01985   0.00015   0.00000   0.00006   0.00006   0.01991
   D88       -3.13789   0.00004   0.00000   0.00000   0.00000  -3.13789
   D89       -3.12919   0.00020   0.00000   0.00011   0.00011  -3.12908
   D90       -0.00374   0.00010   0.00000   0.00005   0.00005  -0.00369
   D91        3.13362  -0.00007   0.00000  -0.00001  -0.00001   3.13360
   D92       -0.00582   0.00084   0.00000   0.00061   0.00061  -0.00521
   D93       -0.00026  -0.00008   0.00000  -0.00004  -0.00003  -0.00029
   D94       -3.13969   0.00084   0.00000   0.00059   0.00059  -3.13910
   D95       -0.03716   0.00066   0.00000   0.00045   0.00045  -0.03672
   D96        3.12049   0.00095   0.00000   0.00059   0.00059   3.12108
   D97        0.00747  -0.00007   0.00000  -0.00004  -0.00004   0.00743
   D98       -3.13964  -0.00023   0.00000  -0.00017  -0.00017  -3.13981
   D99        3.13304  -0.00032   0.00000  -0.00015  -0.00015   3.13289
   D100      -0.01408  -0.00048   0.00000  -0.00028  -0.00028  -0.01435
   D101       0.00103   0.00002   0.00000   0.00000   0.00000   0.00103
   D102       3.13861   0.00034   0.00000   0.00023   0.00023   3.13884
   D103       3.14049  -0.00089   0.00000  -0.00062  -0.00062   3.13987
   D104      -0.00512  -0.00056   0.00000  -0.00039  -0.00039  -0.00550
   D105       0.00213   0.00007   0.00000   0.00003   0.00003   0.00216
   D106      -3.14078   0.00015   0.00000   0.00010   0.00010  -3.14067
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   D329       0.02974  -0.00029   0.00000  -0.00013  -0.00013   0.02961
   D330      -3.09647  -0.00024   0.00000  -0.00010  -0.00010  -3.09657
   D331       3.12702   0.00037   0.00000   0.00030   0.00030   3.12732
   D332       0.00080   0.00041   0.00000   0.00033   0.00033   0.00113
   D333       0.03003  -0.00029   0.00000  -0.00014  -0.00014   0.02989
   D334       3.12699   0.00035   0.00000   0.00028   0.00028   3.12727
   D335      -3.09609  -0.00024   0.00000  -0.00010  -0.00010  -3.09619
   D336       0.00087   0.00040   0.00000   0.00032   0.00032   0.00119
   D337      -0.02709  -0.00035   0.00000  -0.00022  -0.00022  -0.02731
   D338       3.07867   0.00052   0.00000   0.00036   0.00036   3.07904
   D339      -3.12401  -0.00100   0.00000  -0.00065  -0.00065  -3.12465
   D340      -0.01825  -0.00013   0.00000  -0.00006  -0.00006  -0.01831
   D341      -0.03395   0.00077   0.00000   0.00051   0.00051  -0.03344
   D342       3.05250   0.00084   0.00000   0.00058   0.00058   3.05308
   D343      -3.13940  -0.00023   0.00000  -0.00016  -0.00016  -3.13956
   D344      -0.05295  -0.00016   0.00000  -0.00008  -0.00008  -0.05304
   D345      -0.03425   0.00078   0.00000   0.00051   0.00051  -0.03374
   D346      -3.13953  -0.00024   0.00000  -0.00016  -0.00016  -3.13969
   D347       3.05222   0.00085   0.00000   0.00058   0.00059   3.05280
   D348      -0.05306  -0.00017   0.00000  -0.00009  -0.00009  -0.05315
   D349      -0.02692  -0.00036   0.00000  -0.00023  -0.00023  -0.02715
   D350      -3.12377  -0.00101   0.00000  -0.00066  -0.00066  -3.12443
   D351       3.07866   0.00052   0.00000   0.00036   0.00036   3.07903
   D352      -0.01819  -0.00013   0.00000  -0.00006  -0.00006  -0.01826
   D353       0.02994  -0.00029   0.00000  -0.00013  -0.00013   0.02980
   D354      -3.09594  -0.00024   0.00000  -0.00010  -0.00010  -3.09603
   D355       3.12683   0.00035   0.00000   0.00029   0.00029   3.12712
   D356       0.00096   0.00041   0.00000   0.00032   0.00032   0.00128
   D357      -0.03005   0.00030   0.00000   0.00014   0.00014  -0.02992
   D358      -3.12706  -0.00036   0.00000  -0.00030  -0.00030  -3.12736
   D359       3.09628   0.00025   0.00000   0.00011   0.00010   3.09638
   D360      -0.00073  -0.00041   0.00000  -0.00033  -0.00033  -0.00106
   D361       0.02704   0.00035   0.00000   0.00022   0.00022   0.02726
   D362      -3.07891  -0.00054   0.00000  -0.00038  -0.00038  -3.07929
   D363       3.12400   0.00102   0.00000   0.00066   0.00066   3.12466
   D364       0.01805   0.00013   0.00000   0.00006   0.00006   0.01811
   D365       0.03385  -0.00076   0.00000  -0.00050  -0.00050   0.03335
   D366      -3.05242  -0.00088   0.00000  -0.00060  -0.00060  -3.05303
   D367       3.13949   0.00026   0.00000   0.00018   0.00018   3.13967
   D368       0.05322   0.00015   0.00000   0.00008   0.00008   0.05330
   D369       0.03406  -0.00077   0.00000  -0.00050  -0.00050   0.03356
   D370       3.13918   0.00023   0.00000   0.00016   0.00016   3.13933
   D371      -3.05210  -0.00084   0.00000  -0.00057  -0.00057  -3.05267
   D372       0.05302   0.00017   0.00000   0.00009   0.00009   0.05311
   D373       0.02689   0.00036   0.00000   0.00023   0.00023   0.02712
   D374       3.12377   0.00100   0.00000   0.00064   0.00064   3.12441
   D375      -3.07854  -0.00050   0.00000  -0.00035  -0.00035  -3.07889
   D376       0.01834   0.00013   0.00000   0.00006   0.00006   0.01840
   D377      -0.02966   0.00028   0.00000   0.00013   0.00013  -0.02954
   D378       3.09579   0.00023   0.00000   0.00009   0.00009   3.09588
   D379      -3.12658  -0.00034   0.00000  -0.00028  -0.00028  -3.12686
   D380      -0.00113  -0.00040   0.00000  -0.00032  -0.00032  -0.00144
         Item               Value     Threshold  Converged?
 Maximum Force            0.140381     0.000450     NO 
 RMS     Force            0.029675     0.000300     NO 
 Maximum Displacement     0.386006     0.001800     NO 
 RMS     Displacement     0.088270     0.001200     NO 
 Predicted change in Energy=-2.188898D-01
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C74H46ClN5
 Framework group  C1[X(C74H46ClN5)]
 Deg. of freedom   372
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        1.150560    2.272195   -0.116362
      2          6           0        1.464902    0.945477   -0.103330
      3          6           0        0.594771   -0.107902   -0.080817
      4          6           0       -0.737193    0.196763   -0.083045
      5          6           0       -1.094073    1.508971   -0.097938
      6          6           0       -0.189515    2.509443   -0.112225
      7          6           0        0.978258   -1.435833   -0.070962
      8          6           0        0.022230   -2.417357   -0.070543
      9          6           0       -1.313556   -2.104795   -0.066749
     10          6           0       -1.691271   -0.790878   -0.073733
     11          6           0        2.283757   -1.837034   -0.050067
     12          6           0        2.754093   -3.116592   -0.040896
     13          6           0        1.763156   -4.048242   -0.049512
     14          6           0        0.458901   -3.706612   -0.062064
     15          7           0       -2.276348   -3.011910   -0.049006
     16          6           0       -3.544906   -2.652911   -0.066747
     17          6           0       -3.858220   -1.333755   -0.086047
     18          7           0       -2.929558   -0.448562   -0.109040
     19          6           0       -4.563768   -3.546982   -0.057800
     20          6           0       -5.849406   -3.133069   -0.067499
     21          6           0       -6.214266   -1.814565   -0.087776
     22          6           0       -5.163624   -0.947123   -0.100134
     23          6           0        2.090530    3.289732   -0.136198
     24          6           0        4.097939   -3.449883   -0.020753
     25          6           0       -7.535452   -1.401932   -0.096488
     26          6           0        4.555789   -4.729490    0.076213
     27          6           0        5.868684   -5.060348    0.094626
     28          6           0        6.889525   -4.161156    0.028573
     29          6           0        6.425589   -2.884179   -0.067331
     30          6           0        5.114899   -2.545920   -0.095742
     31          6           0        1.770608    4.609574   -0.244850
     32          6           0        2.685430    5.607796   -0.263937
     33          6           0        4.031896    5.418696   -0.186313
     34          6           0        4.345654    4.097812   -0.077944
     35          6           0        3.436319    3.094892   -0.049119
     36          6           0       -8.595631   -2.255705   -0.049644
     37          6           0       -9.887520   -1.850073   -0.062177
     38          6           0      -10.284298   -0.548091   -0.111359
     39          6           0       -9.218865    0.299697   -0.153238
     40          6           0       -7.924572   -0.097786   -0.151574
     41          7           0        4.918040    6.388927   -0.211767
     42          7           0        8.163122   -4.484136    0.052441
     43          7           0      -11.539273   -0.158151   -0.117806
     44          6           0        8.688150   -5.638284   -0.301217
     45          6           0       10.039382   -5.617801   -0.137830
     46          6           0       10.344158   -4.379343    0.324838
     47          6           0        9.160725   -3.716287    0.437648
     48          6           0        6.176640    6.294126   -0.585722
     49          6           0        6.799902    7.499485   -0.477740
     50          6           0        5.860718    8.369756   -0.029409
     51          6           0        4.719978    7.644491    0.130644
     52          6           0      -12.001305    1.008334    0.280978
     53          6           0      -13.352443    1.065243    0.125578
     54          6           0      -13.724418   -0.137951   -0.378913
     55          6           0      -12.578119   -0.857826   -0.522760
     56          6           0       11.548446   -3.851627    0.642656
     57          6           0       11.589009   -2.593881    1.135605
     58          6           0       10.427918   -1.922580    1.325989
     59          6           0        9.235609   -2.479452    1.001831
     60          6           0        8.185696   -6.767363   -0.872454
     61          6           0        8.980093   -7.828194   -1.156236
     62          6           0       10.312652   -7.788978   -0.916337
     63          6           0       10.857922   -6.658750   -0.414394
     64          6           0        5.969493    9.691423    0.237829
     65          6           0        4.888689   10.339233    0.726342
     66          6           0        3.752571    9.640542    0.963052
     67          6           0        3.675031    8.315508    0.688951
     68          6           0        6.924020    5.297789   -1.135800
     69          6           0        8.228779    5.485509   -1.450945
     70          6           0        8.827976    6.686095   -1.265374
     71          6           0        8.098626    7.718378   -0.786783
     72          6           0      -14.956467   -0.589931   -0.707123
     73          6           0      -15.065628   -1.825745   -1.243283
     74          6           0      -13.942570   -2.550085   -1.464627
     75          6           0      -12.720948   -2.068586   -1.128966
     76          6           0      -11.437452    2.087334    0.890482
     77          6           0      -12.173320    3.177388    1.217910
     78          6           0      -13.507075    3.217510    0.984893
     79          6           0      -14.113516    2.137020    0.445115
     80          1           0       -2.079147   -4.014359   -0.131855
     81          1           0        2.528790    0.722120   -0.136948
     82          1           0       -2.147036    1.827543   -0.093333
     83          1           0       -0.621179    3.518355   -0.109800
     84          1           0        3.049670   -1.066021   -0.015499
     85          1           0        1.958035   -5.128277   -0.053037
     86          1           0       -0.222562   -4.567486   -0.062775
     87          1           0       -4.351429   -4.627719   -0.039767
     88          1           0       -6.578710   -3.952731   -0.061413
     89          1           0       -5.311079    0.139928   -0.117050
     90          1           0        3.876797   -5.584826    0.188704
     91          1           0        6.059475   -6.123978    0.277755
     92          1           0        7.108615   -2.043805   -0.237235
     93          1           0        4.937040   -1.470071   -0.226598
     94          1           0        0.734215    4.950122   -0.368484
     95          1           0        2.261510    6.599624   -0.458241
     96          1           0        5.376760    3.772798    0.102379
     97          1           0        3.878408    2.099731    0.093664
     98          1           0       -8.466100   -3.342457    0.036448
     99          1           0      -10.611971   -2.660245    0.078714
    100          1           0       -9.355392    1.377360   -0.298922
    101          1           0       -7.201599    0.724529   -0.232382
    102          1           0       12.479930   -4.422151    0.524272
    103          1           0       12.549513   -2.137629    1.417793
    104          1           0       10.457148   -0.921089    1.782964
    105          1           0        8.360134   -1.882204    1.279340
    106          1           0        7.142293   -6.878162   -1.187442
    107          1           0        8.545881   -8.727443   -1.620327
    108          1           0       10.949626   -8.650740   -1.165617
    109          1           0       11.943321   -6.599672   -0.255352
    110          1           0        6.909749   10.237922    0.081962
    111          1           0        4.944622   11.411142    0.967845
    112          1           0        2.891647   10.156027    1.416594
    113          1           0        2.740464    7.836481    1.000650
    114          1           0        6.523433    4.315315   -1.408547
    115          1           0        8.807345    4.661319   -1.896479
    116          1           0        9.883424    6.830741   -1.540034
    117          1           0        8.561944    8.707968   -0.672451
    118          1           0      -15.855909    0.024163   -0.562309
    119          1           0      -16.050283   -2.220607   -1.534607
    120          1           0      -14.026825   -3.532024   -1.955754
    121          1           0      -11.879308   -2.700804   -1.432439
    122          1           0      -10.388549    2.131008    1.203324
    123          1           0      -11.690041    4.034463    1.712286
    124          1           0      -14.096432    4.101768    1.269910
    125          1           0      -15.201307    2.141128    0.291301
    126         17           0       -2.158496   -3.454250    2.726910
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           0.0242978           0.0078606           0.0060262
 Standard basis: 6-31G(d,p) (6D, 7F)
 There are  1434 symmetry adapted cartesian basis functions of A   symmetry.
 There are  1434 symmetry adapted basis functions of A   symmetry.
  1434 basis functions,  2586 primitive gaussians,  1434 cartesian basis functions
   271 alpha electrons      271 beta electrons
       nuclear repulsion energy     10892.2458714477 Hartrees.
 NAtoms=  126 NActive=  126 NUniq=  126 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=T Big=T
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 One-electron integrals computed using PRISM.
 NBasis=  1434 RedAO= T EigKep=  7.09D-05  NBF=  1434
 NBsUse=  1434 1.00D-06 EigRej= -1.00D+00 NBFU=  1434
 Initial guess from the checkpoint file:  "ph.chk"
 B after Tr=     0.000000    0.000000   -0.000000
         Rot=    0.999997    0.000355    0.000044    0.002538 Ang=   0.29 deg.
 ExpMin= 1.43D-01 ExpMax= 2.52D+04 ExpMxC= 3.78D+03 IAcc=2 IRadAn=         4 AccDes= 0.00D+00
 Harris functional with IExCor=  402 and IRadAn=       4 diagonalized for initial guess.
 HarFok:  IExCor=  402 AccDes= 0.00D+00 IRadAn=         4 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=        2001
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Petite list used in FoFCou.
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Integral accuracy reduced to 1.0D-05 until final iterations.
 Initial convergence to 1.0D-05 achieved.  Increase integral accuracy.
 SCF Done:  E(RB3LYP) =  -3581.37992350     A.U. after   16 cycles
            NFock= 16  Conv=0.46D-08     -V/T= 2.0052
 Calling FoFJK, ICntrl=      2127 FMM=T ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.032011142   -0.024092259    0.004268661
      2        6          -0.054975830   -0.027727366    0.000802587
      3        6          -0.013643535    0.033182934   -0.003947568
      4        6          -0.016746975    0.018019063   -0.003449589
      5        6           0.035674201    0.044897799   -0.002621824
      6        6           0.022930462    0.052887351   -0.005000751
      7        6          -0.016678779   -0.028266358    0.000999421
      8        6           0.001218425   -0.021403258    0.003417132
      9        6           0.010250725   -0.016170684    0.004693246
     10        6           0.020261108    0.000312401    0.001376569
     11        6          -0.052464729    0.026518868   -0.007701855
     12        6           0.031282958    0.023916513   -0.000325203
     13        6           0.025343422   -0.054812966    0.009216089
     14        6           0.035033946   -0.043689596    0.007546391
     15        7          -0.009346336   -0.036522294    0.010585098
     16        6           0.016780628   -0.026633619    0.003164830
     17        6           0.017313255    0.005204702    0.000028653
     18        7          -0.020617307    0.069822940   -0.009092002
     19        6           0.021684167   -0.052250256    0.009115972
     20        6           0.033256106   -0.053225596    0.008566921
     21        6          -0.041117885   -0.003804467   -0.002487260
     22        6           0.013865260    0.057837589   -0.004302585
     23        6          -0.030153515    0.013917830   -0.003352451
     24        6          -0.028683165   -0.014262945   -0.000669665
     25        6           0.027875001    0.018685986   -0.000139994
     26        6           0.038289545   -0.036608120    0.001289028
     27        6           0.017542900   -0.063813462   -0.005588458
     28        6           0.053550453    0.032515986    0.001196060
     29        6          -0.049173860    0.044905156    0.005153566
     30        6          -0.015752545    0.050093460   -0.000677204
     31        6           0.037185700    0.036941582    0.004729520
     32        6           0.014087126    0.063949537    0.008667839
     33        6           0.055033042   -0.031735378    0.006117552
     34        6          -0.046934271   -0.045283294   -0.012389648
     35        6          -0.013968982   -0.050130228   -0.001825435
     36        6           0.016941299   -0.049294774    0.003055129
     37        6           0.051721893   -0.041499852   -0.003394013
     38        6          -0.051639421   -0.036499227    0.000124785
     39        6          -0.021454470    0.062814680    0.003524116
     40        6          -0.039019409    0.034756868   -0.002718204
     41        7           0.010742274   -0.006401158    0.001195748
     42        7           0.012334540    0.007698886    0.000261782
     43        7          -0.011342753   -0.007552372    0.000048898
     44        6           0.016570295   -0.068830567    0.037733264
     45        6          -0.012788916   -0.028432974    0.005320353
     46        6          -0.030845897    0.001573541   -0.006232437
     47        6          -0.052565240    0.046642488   -0.038532469
     48        6          -0.055620684   -0.048530807    0.030534129
     49        6          -0.031450522   -0.002211711    0.001776633
     50        6          -0.012737395    0.027975626   -0.006737906
     51        6           0.020317477    0.069306440   -0.034579118
     52        6          -0.020038361    0.066197401   -0.040418399
     53        6           0.011344550    0.028757210   -0.006383750
     54        6           0.030897716    0.000363801    0.006282380
     55        6           0.054608340   -0.042625027    0.040304222
     56        6          -0.040343937   -0.025355129    0.000392358
     57        6          -0.054242005   -0.000477410   -0.014879273
     58        6          -0.010632605    0.039087883   -0.025625737
     59        6           0.039116486    0.054357850   -0.020579908
     60        6           0.065372658    0.009848707    0.023039235
     61        6           0.029287712   -0.027578298    0.026047380
     62        6          -0.025557648   -0.048487382    0.013069772
     63        6          -0.040646065   -0.024335557   -0.002223931
     64        6          -0.041246321    0.023428986   -0.003318368
     65        6          -0.024729064    0.047999841   -0.016119967
     66        6           0.031953621    0.028543449   -0.021392165
     67        6           0.068238355   -0.007860915   -0.013689071
     68        6           0.037017635   -0.053646199    0.025546416
     69        6          -0.012858948   -0.039575602    0.023521637
     70        6          -0.055918746   -0.000942324    0.007110055
     71        6          -0.040399689    0.024202777   -0.005798671
     72        6           0.038909273    0.027208624   -0.001433496
     73        6           0.054194167    0.003892413    0.014783262
     74        6           0.012445664   -0.037470350    0.027093920
     75        6          -0.036268501   -0.055293389    0.022844487
     76        6          -0.064805055   -0.013989203   -0.022501423
     77        6          -0.030666938    0.024961357   -0.027044155
     78        6           0.023095421    0.049183712   -0.014989622
     79        6           0.039380009    0.026515837    0.001178349
     80        1          -0.005215411    0.008965659   -0.011813220
     81        1           0.004122808   -0.001150927    0.000198224
     82        1          -0.004244139   -0.013935007    0.001255513
     83        1          -0.006300756   -0.007523463    0.000199221
     84        1           0.004866381    0.001934531    0.000189423
     85        1          -0.005762092    0.007811982   -0.001361574
     86        1          -0.002590850    0.009110705   -0.002799456
     87        1          -0.002004515    0.009032892   -0.002720438
     88        1          -0.003874573    0.009508164   -0.001431147
     89        1           0.001973258   -0.008839456    0.000556297
     90        1          -0.004564645    0.008357607    0.000000492
     91        1          -0.005706636    0.008200718    0.001448729
     92        1           0.004787769   -0.008826313   -0.001586802
     93        1           0.005787677   -0.007505706   -0.000113264
     94        1          -0.004193980   -0.008561338   -0.000953623
     95        1          -0.005218996   -0.008209370   -0.002397456
     96        1           0.004207333    0.008843274    0.002195563
     97        1           0.005605384    0.007600601    0.000874585
     98        1          -0.005398610    0.007488249   -0.000234965
     99        1          -0.005097113    0.008611779    0.001115872
    100        1           0.006194156   -0.007884404   -0.001222208
    101        1           0.004887878   -0.008057890    0.000033840
    102        1           0.007713658    0.004277141    0.000198174
    103        1           0.007862952   -0.000308765    0.003618619
    104        1           0.004890401   -0.006682389    0.005620382
    105        1          -0.000910822   -0.007382037    0.006209416
    106        1          -0.006749758    0.002588285   -0.006451117
    107        1          -0.003519449    0.007460643   -0.005628769
    108        1           0.003420934    0.007249429   -0.003385117
    109        1           0.007242352    0.004903558    0.000127871
    110        1           0.007325392   -0.004733016    0.000846970
    111        1           0.003077508   -0.007175580    0.003748451
    112        1          -0.004089812   -0.007624509    0.004979330
    113        1          -0.007508451   -0.002876785    0.005384717
    114        1          -0.000154689    0.007404521   -0.006291113
    115        1           0.005393761    0.006794776   -0.004807227
    116        1           0.008233784    0.000543665   -0.002488558
    117        1           0.007731341   -0.004057322    0.000828217
    118        1          -0.007464110   -0.004654996   -0.000033496
    119        1          -0.007834415   -0.000258498   -0.003618606
    120        1          -0.005178807    0.006132386   -0.005870620
    121        1           0.000565460    0.007089897   -0.006583177
    122        1           0.006844613   -0.002022214    0.006461729
    123        1           0.003903010   -0.007059630    0.005878781
    124        1          -0.003030509   -0.007259900    0.003657567
    125        1          -0.006982593   -0.005284794    0.000079277
    126       17           0.000075267   -0.003641857    0.002524823
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.069822940 RMS     0.024798996

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.102103517 RMS     0.022020085
 Search for a local minimum.
 Step number   2 out of a maximum of  756
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- RFO/linear search
 Update second derivatives using D2CorX and points    1    2
 DE= -2.13D-01 DEPred=-2.19D-01 R= 9.73D-01
 TightC=F SS=  1.41D+00  RLast= 3.01D-01 DXNew= 5.0454D-01 9.0212D-01
 Trust test= 9.73D-01 RLast= 3.01D-01 DXMaxT set to 5.05D-01
 ITU=  1  0
 Use linear search instead of GDIIS.
 Linear search step of   0.600 exceeds DXMaxT=   0.505 but not scaled.
 Quartic linear search produced a step of  2.00000.
 Iteration  1 RMS(Cart)=  0.17564256 RMS(Int)=  0.00023618
 Iteration  2 RMS(Cart)=  0.00113772 RMS(Int)=  0.00002863
 Iteration  3 RMS(Cart)=  0.00000034 RMS(Int)=  0.00002863
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        2.57666   0.04234   0.04301   0.00000   0.04299   2.61965
    R2        2.57177   0.05852   0.05898   0.00000   0.05897   2.63073
    R3        2.61802   0.08087   0.08360   0.00000   0.08360   2.70162
    R4        2.58226   0.04053   0.04168   0.00000   0.04168   2.62394
    R5        2.05527  -0.00305  -0.00337   0.00000  -0.00337   2.05190
    R6        2.58206   0.06098   0.06325   0.00000   0.06331   2.64537
    R7        2.61204   0.07823   0.08007   0.00000   0.08007   2.69211
    R8        2.56994   0.04757   0.04826   0.00000   0.04828   2.61822
    R9        2.59505   0.08046   0.08374   0.00000   0.08379   2.67883
   R10        2.54894   0.03792   0.03740   0.00000   0.03740   2.58634
   R11        2.07891  -0.01132  -0.01271   0.00000  -0.01271   2.06620
   R12        2.07375  -0.00814  -0.00891   0.00000  -0.00891   2.06484
   R13        2.58925   0.06127   0.06247   0.00000   0.06242   2.65167
   R14        2.58121   0.03841   0.03943   0.00000   0.03943   2.62064
   R15        2.59246   0.06223   0.06258   0.00000   0.06253   2.65500
   R16        2.57234   0.05139   0.05137   0.00000   0.05136   2.62370
   R17        2.58354   0.06855   0.06905   0.00000   0.06901   2.65254
   R18        2.49997   0.03719   0.03449   0.00000   0.03440   2.53438
   R19        2.42871   0.06415   0.05838   0.00000   0.05842   2.48713
   R20        2.57625   0.04514   0.04624   0.00000   0.04625   2.62250
   R21        2.05475  -0.00340  -0.00381   0.00000  -0.00381   2.05094
   R22        2.57031   0.05909   0.05963   0.00000   0.05963   2.62994
   R23        2.61671   0.07923   0.08174   0.00000   0.08174   2.69846
   R24        2.54795   0.03497   0.03436   0.00000   0.03436   2.58230
   R25        2.07394  -0.00854  -0.00931   0.00000  -0.00931   2.06463
   R26        2.07483  -0.00756  -0.00798   0.00000  -0.00798   2.06684
   R27        2.49160   0.05241   0.04731   0.00000   0.04726   2.53886
   R28        1.93700  -0.00995  -0.01019   0.00000  -0.01020   1.92680
   R29        5.31657   0.00422   0.00552   0.00000   0.00551   5.32208
   R30        2.56245   0.07091   0.07144   0.00000   0.07153   2.63398
   R31        2.56162   0.05111   0.05073   0.00000   0.05072   2.61234
   R32        2.42483   0.08434   0.07378   0.00000   0.07387   2.49870
   R33        2.57292   0.05427   0.05567   0.00000   0.05572   2.62864
   R34        2.55238   0.03173   0.03143   0.00000   0.03138   2.58376
   R35        2.08162  -0.00942  -0.01005   0.00000  -0.01005   2.07157
   R36        2.58554   0.06352   0.06378   0.00000   0.06374   2.64927
   R37        2.07334  -0.00832  -0.00909   0.00000  -0.00909   2.06425
   R38        2.57479   0.03653   0.03820   0.00000   0.03821   2.61299
   R39        2.61567   0.08173   0.08440   0.00000   0.08440   2.70007
   R40        2.07329  -0.00905  -0.01010   0.00000  -0.01010   2.06318
   R41        2.57457   0.05044   0.05107   0.00000   0.05107   2.62564
   R42        2.57495   0.05046   0.05104   0.00000   0.05104   2.62599
   R43        2.57476   0.05082   0.05140   0.00000   0.05140   2.62616
   R44        2.57515   0.05074   0.05127   0.00000   0.05127   2.62642
   R45        2.57385   0.05090   0.05149   0.00000   0.05149   2.62534
   R46        2.57395   0.05104   0.05160   0.00000   0.05160   2.62554
   R47        2.55882   0.03758   0.03725   0.00000   0.03725   2.59606
   R48        2.07464  -0.00850  -0.00933   0.00000  -0.00933   2.06531
   R49        2.57379   0.05141   0.05287   0.00000   0.05287   2.62667
   R50        2.07116  -0.00892  -0.01004   0.00000  -0.01004   2.06113
   R51        2.57385   0.05173   0.05317   0.00000   0.05317   2.62702
   R52        2.48334   0.09975   0.09183   0.00000   0.09183   2.57517
   R53        2.55856   0.03745   0.03709   0.00000   0.03709   2.59566
   R54        2.07149  -0.00896  -0.01009   0.00000  -0.01009   2.06140
   R55        2.07544  -0.00824  -0.00891   0.00000  -0.00891   2.06653
   R56        2.55896   0.03820   0.03789   0.00000   0.03789   2.59685
   R57        2.07472  -0.00849  -0.00936   0.00000  -0.00936   2.06536
   R58        2.57361   0.05099   0.05243   0.00000   0.05243   2.62604
   R59        2.07111  -0.00881  -0.00992   0.00000  -0.00992   2.06119
   R60        2.57372   0.05129   0.05271   0.00000   0.05271   2.62644
   R61        2.48357   0.10083   0.09281   0.00000   0.09281   2.57638
   R62        2.55887   0.03795   0.03761   0.00000   0.03761   2.59648
   R63        2.07124  -0.00883  -0.00995   0.00000  -0.00995   2.06129
   R64        2.07541  -0.00820  -0.00889   0.00000  -0.00889   2.06652
   R65        2.55894   0.03809   0.03775   0.00000   0.03775   2.59669
   R66        2.07459  -0.00834  -0.00912   0.00000  -0.00912   2.06547
   R67        2.57378   0.05074   0.05217   0.00000   0.05217   2.62596
   R68        2.07100  -0.00884  -0.00995   0.00000  -0.00995   2.06105
   R69        2.57423   0.05163   0.05304   0.00000   0.05304   2.62727
   R70        2.48343   0.10024   0.09229   0.00000   0.09229   2.57573
   R71        2.55860   0.03723   0.03690   0.00000   0.03690   2.59550
   R72        2.07114  -0.00887  -0.00998   0.00000  -0.00998   2.06117
   R73        2.07476  -0.00838  -0.00919   0.00000  -0.00919   2.06558
   R74        2.48763   0.10170   0.09511   0.00000   0.09515   2.58278
   R75        2.48764   0.10175   0.09510   0.00000   0.09513   2.58277
   R76        2.48755   0.10210   0.09539   0.00000   0.09542   2.58297
   R77        2.48784   0.10205   0.09541   0.00000   0.09545   2.58329
   R78        2.48784   0.10194   0.09530   0.00000   0.09533   2.58317
   R79        2.48751   0.10189   0.09522   0.00000   0.09526   2.58277
   R80        2.57235   0.06283   0.06367   0.00000   0.06371   2.63606
   R81        2.57280   0.04648   0.04842   0.00000   0.04843   2.62123
   R82        2.56386   0.09661   0.09422   0.00000   0.09417   2.65803
   R83        2.55642   0.04927   0.04927   0.00000   0.04931   2.60574
   R84        2.57231   0.06290   0.06376   0.00000   0.06380   2.63610
   R85        2.55624   0.04938   0.04937   0.00000   0.04941   2.60565
   R86        2.57285   0.04647   0.04845   0.00000   0.04845   2.62130
   R87        2.57239   0.06297   0.06383   0.00000   0.06387   2.63626
   R88        2.57298   0.04654   0.04853   0.00000   0.04853   2.62151
   R89        2.56365   0.09658   0.09419   0.00000   0.09415   2.65781
   R90        2.55645   0.04935   0.04935   0.00000   0.04940   2.60584
   R91        2.57233   0.06293   0.06376   0.00000   0.06380   2.63613
   R92        2.55641   0.04938   0.04937   0.00000   0.04942   2.60583
   R93        2.57300   0.04651   0.04847   0.00000   0.04847   2.62148
   R94        2.57236   0.06287   0.06372   0.00000   0.06376   2.63612
   R95        2.57285   0.04651   0.04847   0.00000   0.04848   2.62133
   R96        2.56374   0.09664   0.09425   0.00000   0.09420   2.65794
   R97        2.55640   0.04933   0.04933   0.00000   0.04937   2.60577
   R98        2.57233   0.06291   0.06376   0.00000   0.06380   2.63613
   R99        2.55634   0.04936   0.04935   0.00000   0.04940   2.60574
   R100       2.57296   0.04647   0.04843   0.00000   0.04844   2.62140
   R101       2.55398   0.04450   0.04365   0.00000   0.04365   2.59762
   R102       2.07627  -0.00824  -0.00902   0.00000  -0.00902   2.06725
   R103       2.55988   0.05277   0.05177   0.00000   0.05172   2.61160
   R104       2.07901  -0.00861  -0.00914   0.00000  -0.00914   2.06988
   R105       2.56111   0.04102   0.04042   0.00000   0.04038   2.60149
   R106       2.08099  -0.00965  -0.01041   0.00000  -0.01041   2.07058
   R107       2.07024  -0.00775  -0.00851   0.00000  -0.00851   2.06173
   R108       2.56123   0.04092   0.04033   0.00000   0.04029   2.60152
   R109       2.07025  -0.00775  -0.00850   0.00000  -0.00850   2.06175
   R110       2.55973   0.05283   0.05182   0.00000   0.05177   2.61150
   R111       2.08090  -0.00962  -0.01037   0.00000  -0.01037   2.07053
   R112       2.55405   0.04447   0.04364   0.00000   0.04363   2.59769
   R113       2.07914  -0.00865  -0.00918   0.00000  -0.00918   2.06996
   R114       2.07601  -0.00816  -0.00894   0.00000  -0.00894   2.06708
   R115       2.55389   0.04449   0.04366   0.00000   0.04365   2.59754
   R116       2.07615  -0.00818  -0.00895   0.00000  -0.00895   2.06720
   R117       2.55984   0.05291   0.05190   0.00000   0.05185   2.61169
   R118       2.07908  -0.00861  -0.00913   0.00000  -0.00913   2.06994
   R119       2.56116   0.04092   0.04032   0.00000   0.04028   2.60144
   R120       2.08094  -0.00962  -0.01037   0.00000  -0.01037   2.07057
   R121       2.07012  -0.00773  -0.00848   0.00000  -0.00848   2.06164
   R122       2.56123   0.04097   0.04038   0.00000   0.04034   2.60156
   R123       2.07019  -0.00772  -0.00849   0.00000  -0.00849   2.06170
   R124       2.55978   0.05289   0.05187   0.00000   0.05182   2.61160
   R125       2.08087  -0.00956  -0.01031   0.00000  -0.01031   2.07056
   R126       2.55400   0.04446   0.04362   0.00000   0.04361   2.59762
   R127       2.07898  -0.00856  -0.00908   0.00000  -0.00908   2.06990
   R128       2.07614  -0.00818  -0.00896   0.00000  -0.00896   2.06718
   R129       2.55401   0.04449   0.04366   0.00000   0.04365   2.59767
   R130       2.07619  -0.00821  -0.00899   0.00000  -0.00899   2.06720
   R131       2.55981   0.05283   0.05181   0.00000   0.05176   2.61157
   R132       2.07898  -0.00858  -0.00910   0.00000  -0.00910   2.06988
   R133       2.56117   0.04096   0.04036   0.00000   0.04032   2.60149
   R134       2.08085  -0.00958  -0.01033   0.00000  -0.01033   2.07052
   R135       2.07022  -0.00774  -0.00850   0.00000  -0.00850   2.06173
   R136       2.56121   0.04091   0.04032   0.00000   0.04028   2.60149
   R137       2.07007  -0.00770  -0.00845   0.00000  -0.00845   2.06162
   R138       2.55973   0.05290   0.05188   0.00000   0.05183   2.61156
   R139       2.08088  -0.00962  -0.01037   0.00000  -0.01037   2.07051
   R140       2.55399   0.04447   0.04364   0.00000   0.04364   2.59763
   R141       2.07912  -0.00862  -0.00915   0.00000  -0.00915   2.06997
   R142       2.07609  -0.00817  -0.00894   0.00000  -0.00894   2.06715
   R143       5.50704  -0.00603  -0.00821   0.00000  -0.00820   5.49884
    A1        1.97861   0.00979   0.00984   0.00000   0.00982   1.98843
    A2        2.16322  -0.00851  -0.00988   0.00000  -0.00987   2.15335
    A3        2.14135  -0.00129   0.00004   0.00000   0.00005   2.14140
    A4        2.21859  -0.01067  -0.01171   0.00000  -0.01171   2.20688
    A5        2.00980   0.00843   0.00973   0.00000   0.00973   2.01953
    A6        2.05453   0.00224   0.00199   0.00000   0.00198   2.05651
    A7        2.03625   0.00507   0.00601   0.00000   0.00602   2.04227
    A8        2.17007  -0.00676  -0.00803   0.00000  -0.00806   2.16201
    A9        2.07680   0.00170   0.00203   0.00000   0.00205   2.07885
   A10        2.06119   0.00119   0.00011   0.00000   0.00011   2.06130
   A11        2.11402  -0.00252  -0.00303   0.00000  -0.00296   2.11106
   A12        2.10797   0.00133   0.00291   0.00000   0.00285   2.11082
   A13        2.14102  -0.00425  -0.00415   0.00000  -0.00413   2.13688
   A14        2.13004  -0.00750  -0.00982   0.00000  -0.00983   2.12020
   A15        2.01211   0.01175   0.01398   0.00000   0.01397   2.02608
   A16        2.13066  -0.00113  -0.00010   0.00000  -0.00010   2.13056
   A17        2.15031  -0.00512  -0.00667   0.00000  -0.00667   2.14364
   A18        2.00216   0.00624   0.00676   0.00000   0.00677   2.00893
   A19        2.08820   0.00207   0.00233   0.00000   0.00228   2.09048
   A20        2.15012  -0.00311  -0.00266   0.00000  -0.00262   2.14750
   A21        2.04482   0.00104   0.00033   0.00000   0.00035   2.04516
   A22        2.11318  -0.00456  -0.00575   0.00000  -0.00585   2.10733
   A23        2.04277   0.00532   0.00673   0.00000   0.00676   2.04953
   A24        2.12719  -0.00077  -0.00098   0.00000  -0.00092   2.12627
   A25        2.08055   0.00956   0.01228   0.00000   0.01229   2.09284
   A26        2.15609  -0.01261  -0.01426   0.00000  -0.01416   2.14193
   A27        2.04653   0.00305   0.00197   0.00000   0.00187   2.04839
   A28        2.09357  -0.00625  -0.00785   0.00000  -0.00781   2.08576
   A29        2.06877   0.00859   0.01378   0.00000   0.01376   2.08253
   A30        2.12035  -0.00234  -0.00591   0.00000  -0.00593   2.11443
   A31        2.22122  -0.00968  -0.01074   0.00000  -0.01075   2.21047
   A32        2.05494   0.00075   0.00006   0.00000   0.00006   2.05501
   A33        2.00678   0.00892   0.01067   0.00000   0.01067   2.01745
   A34        1.97306   0.01183   0.01278   0.00000   0.01277   1.98583
   A35        2.16618  -0.00917  -0.01083   0.00000  -0.01083   2.15535
   A36        2.14394  -0.00265  -0.00194   0.00000  -0.00194   2.14200
   A37        2.13087  -0.00295  -0.00278   0.00000  -0.00280   2.12808
   A38        2.14686  -0.00352  -0.00441   0.00000  -0.00440   2.14246
   A39        2.00544   0.00646   0.00719   0.00000   0.00720   2.01264
   A40        2.15358  -0.00557  -0.00631   0.00000  -0.00633   2.14725
   A41        2.14541  -0.00360  -0.00480   0.00000  -0.00479   2.14062
   A42        1.98420   0.00916   0.01111   0.00000   0.01111   1.99531
   A43        2.10986   0.01502   0.01742   0.00000   0.01728   2.12714
   A44        2.12880  -0.01204  -0.01439   0.00000  -0.01433   2.11447
   A45        1.66148   0.00034   0.00050   0.00000   0.00046   1.66194
   A46        2.03790  -0.00280  -0.00273   0.00000  -0.00266   2.03523
   A47        1.66733   0.00038   0.00087   0.00000   0.00085   1.66818
   A48        2.07988  -0.00745  -0.01015   0.00000  -0.01017   2.06971
   A49        2.14537   0.00175   0.00263   0.00000   0.00260   2.14797
   A50        2.05790   0.00570   0.00753   0.00000   0.00757   2.06547
   A51        2.09919  -0.00111  -0.00146   0.00000  -0.00138   2.09781
   A52        2.09201  -0.00659  -0.00847   0.00000  -0.00843   2.08358
   A53        2.09187   0.00770   0.00993   0.00000   0.00981   2.10168
   A54        2.10955  -0.00714  -0.00183   0.00000  -0.00164   2.10792
   A55        2.10978  -0.00457  -0.00516   0.00000  -0.00521   2.10457
   A56        2.09708   0.00108   0.00111   0.00000   0.00113   2.09821
   A57        2.07632   0.00349   0.00406   0.00000   0.00408   2.08040
   A58        2.15227   0.00114   0.00178   0.00000   0.00170   2.15397
   A59        1.98639   0.00583   0.00670   0.00000   0.00674   1.99314
   A60        2.14451  -0.00697  -0.00848   0.00000  -0.00844   2.13607
   A61        1.99108   0.00928   0.00881   0.00000   0.00878   1.99987
   A62        2.14351  -0.00535  -0.00509   0.00000  -0.00508   2.13843
   A63        2.14859  -0.00393  -0.00371   0.00000  -0.00370   2.14489
   A64        2.16329  -0.00496  -0.00447   0.00000  -0.00440   2.15889
   A65        1.99366   0.00299   0.00261   0.00000   0.00257   1.99623
   A66        2.12621   0.00197   0.00187   0.00000   0.00183   2.12804
   A67        2.15718  -0.00450  -0.00398   0.00000  -0.00398   2.15320
   A68        2.17023  -0.00489  -0.00523   0.00000  -0.00523   2.16500
   A69        1.95578   0.00939   0.00922   0.00000   0.00921   1.96499
   A70        2.15700  -0.00461  -0.00420   0.00000  -0.00419   2.15281
   A71        2.16976  -0.00520  -0.00568   0.00000  -0.00568   2.16409
   A72        1.95642   0.00981   0.00988   0.00000   0.00987   1.96629
   A73        2.16023  -0.00462  -0.00468   0.00000  -0.00468   2.15555
   A74        2.16322  -0.00442  -0.00414   0.00000  -0.00413   2.15909
   A75        1.95973   0.00904   0.00882   0.00000   0.00881   1.96855
   A76        2.16068  -0.00318  -0.00292   0.00000  -0.00293   2.15775
   A77        2.13076  -0.00286  -0.00384   0.00000  -0.00383   2.12693
   A78        1.99096   0.00605   0.00676   0.00000   0.00677   1.99772
   A79        2.17093  -0.00942  -0.00989   0.00000  -0.00989   2.16105
   A80        1.99126   0.00941   0.01035   0.00000   0.01035   2.00161
   A81        2.11569   0.00002  -0.00047   0.00000  -0.00047   2.11522
   A82        1.94668   0.01539   0.01571   0.00000   0.01572   1.96240
   A83        2.16912  -0.00780  -0.00804   0.00000  -0.00804   2.16108
   A84        2.16739  -0.00759  -0.00768   0.00000  -0.00768   2.15971
   A85        2.17178  -0.00967  -0.01024   0.00000  -0.01024   2.16154
   A86        2.11465   0.00009  -0.00036   0.00000  -0.00036   2.11429
   A87        1.99151   0.00959   0.01060   0.00000   0.01060   2.00211
   A88        2.15983  -0.00293  -0.00254   0.00000  -0.00255   2.15728
   A89        2.13591  -0.00338  -0.00463   0.00000  -0.00462   2.13129
   A90        1.98669   0.00632   0.00718   0.00000   0.00718   1.99387
   A91        2.16110  -0.00298  -0.00260   0.00000  -0.00261   2.15850
   A92        2.13074  -0.00307  -0.00414   0.00000  -0.00413   2.12661
   A93        1.99050   0.00606   0.00675   0.00000   0.00675   1.99725
   A94        2.17094  -0.00929  -0.00968   0.00000  -0.00968   2.16126
   A95        1.99138   0.00935   0.01028   0.00000   0.01028   2.00166
   A96        2.11551  -0.00005  -0.00059   0.00000  -0.00059   2.11492
   A97        1.94654   0.01512   0.01528   0.00000   0.01529   1.96183
   A98        2.16882  -0.00763  -0.00780   0.00000  -0.00780   2.16102
   A99        2.16783  -0.00749  -0.00748   0.00000  -0.00749   2.16034
   A100       2.17161  -0.00953  -0.01004   0.00000  -0.01003   2.16157
   A101       2.11461   0.00002  -0.00047   0.00000  -0.00047   2.11414
   A102       1.99174   0.00951   0.01050   0.00000   0.01049   2.00223
   A103       2.16035  -0.00271  -0.00218   0.00000  -0.00219   2.15816
   A104       2.13583  -0.00358  -0.00493   0.00000  -0.00492   2.13091
   A105       1.98622   0.00629   0.00711   0.00000   0.00711   1.99333
   A106       2.15858  -0.00269  -0.00217   0.00000  -0.00217   2.15641
   A107       2.13102  -0.00274  -0.00380   0.00000  -0.00380   2.12722
   A108       1.99305   0.00544   0.00598   0.00000   0.00598   1.99903
   A109       2.17077  -0.00949  -0.00999   0.00000  -0.00998   2.16079
   A110       1.99108   0.00955   0.01055   0.00000   0.01055   2.00163
   A111       2.11619  -0.00005  -0.00057   0.00000  -0.00057   2.11562
   A112       1.94786   0.01516   0.01534   0.00000   0.01535   1.96321
   A113       2.16763  -0.00744  -0.00751   0.00000  -0.00752   2.16011
   A114       2.16770  -0.00772  -0.00783   0.00000  -0.00783   2.15987
   A115       2.17113  -0.00929  -0.00974   0.00000  -0.00974   2.16140
   A116       2.11601  -0.00014  -0.00066   0.00000  -0.00066   2.11535
   A117       1.99095   0.00944   0.01040   0.00000   0.01040   2.00135
   A118       2.15823  -0.00275  -0.00227   0.00000  -0.00228   2.15596
   A119       2.13173  -0.00307  -0.00418   0.00000  -0.00418   2.12756
   A120       1.99271   0.00582   0.00646   0.00000   0.00646   1.99918
   A121       2.21054  -0.00236  -0.00447   0.00000  -0.00452   2.20602
   A122       2.21135  -0.00262  -0.00499   0.00000  -0.00503   2.20631
   A123       1.86129   0.00498   0.00946   0.00000   0.00955   1.87085
   A124       2.21075  -0.00246  -0.00479   0.00000  -0.00484   2.20591
   A125       2.20976  -0.00213  -0.00424   0.00000  -0.00429   2.20547
   A126       1.86268   0.00459   0.00902   0.00000   0.00912   1.87180
   A127       2.21001  -0.00228  -0.00447   0.00000  -0.00452   2.20548
   A128       2.21110  -0.00251  -0.00476   0.00000  -0.00481   2.20629
   A129       1.86208   0.00478   0.00924   0.00000   0.00933   1.87141
   A130       1.92888  -0.01019  -0.01198   0.00000  -0.01196   1.91692
   A131       2.33595  -0.00566  -0.00527   0.00000  -0.00532   2.33063
   A132       2.01439   0.01581   0.01718   0.00000   0.01721   2.03160
   A133       1.85215   0.00790   0.00749   0.00000   0.00741   1.85957
   A134       2.17064  -0.01690  -0.01926   0.00000  -0.01915   2.15149
   A135       2.26035   0.00900   0.01176   0.00000   0.01173   2.27207
   A136       1.85210   0.00793   0.00753   0.00000   0.00746   1.85955
   A137       2.26039   0.00896   0.01170   0.00000   0.01166   2.27205
   A138       2.17064  -0.01690  -0.01923   0.00000  -0.01912   2.15151
   A139       1.92884  -0.01022  -0.01205   0.00000  -0.01203   1.91681
   A140       2.33612  -0.00562  -0.00516   0.00000  -0.00521   2.33091
   A141       2.01422   0.01580   0.01715   0.00000   0.01718   2.03140
   A142       1.92992  -0.01039  -0.01227   0.00000  -0.01225   1.91767
   A143       2.33544  -0.00545  -0.00493   0.00000  -0.00499   2.33045
   A144       2.01383   0.01580   0.01714   0.00000   0.01717   2.03100
   A145       1.85175   0.00790   0.00752   0.00000   0.00745   1.85921
   A146       2.17087  -0.01693  -0.01927   0.00000  -0.01916   2.15171
   A147       2.26050   0.00903   0.01175   0.00000   0.01171   2.27221
   A148       1.85170   0.00792   0.00754   0.00000   0.00747   1.85917
   A149       2.26056   0.00902   0.01176   0.00000   0.01172   2.27228
   A150       2.17087  -0.01694  -0.01930   0.00000  -0.01920   2.15167
   A151       1.92998  -0.01040  -0.01224   0.00000  -0.01222   1.91776
   A152       2.33529  -0.00551  -0.00508   0.00000  -0.00513   2.33017
   A153       2.01394   0.01587   0.01726   0.00000   0.01729   2.03123
   A154       1.92924  -0.01028  -0.01211   0.00000  -0.01209   1.91714
   A155       2.33569  -0.00560  -0.00516   0.00000  -0.00521   2.33048
   A156       2.01423   0.01584   0.01721   0.00000   0.01724   2.03147
   A157       1.85201   0.00789   0.00749   0.00000   0.00742   1.85943
   A158       2.17072  -0.01692  -0.01927   0.00000  -0.01916   2.15156
   A159       2.26039   0.00902   0.01177   0.00000   0.01174   2.27213
   A160       1.85191   0.00792   0.00754   0.00000   0.00747   1.85937
   A161       2.26043   0.00903   0.01177   0.00000   0.01174   2.27217
   A162       2.17079  -0.01696  -0.01932   0.00000  -0.01921   2.15158
   A163       1.92942  -0.01031  -0.01215   0.00000  -0.01212   1.91730
   A164       2.33564  -0.00555  -0.00511   0.00000  -0.00516   2.33048
   A165       2.01417   0.01583   0.01719   0.00000   0.01722   2.03139
   A166       2.06630   0.00402   0.00537   0.00000   0.00541   2.07171
   A167       2.12573  -0.00529  -0.00678   0.00000  -0.00680   2.11893
   A168       2.09104   0.00127   0.00141   0.00000   0.00139   2.09243
   A169       2.07912   0.00359   0.00397   0.00000   0.00392   2.08304
   A170       2.10099  -0.00157  -0.00172   0.00000  -0.00169   2.09930
   A171       2.10221  -0.00199  -0.00222   0.00000  -0.00219   2.10002
   A172       2.11393   0.00293   0.00335   0.00000   0.00326   2.11719
   A173       2.07860   0.00130   0.00194   0.00000   0.00199   2.08058
   A174       2.09011  -0.00420  -0.00525   0.00000  -0.00521   2.08491
   A175       2.11855  -0.00944  -0.01061   0.00000  -0.01064   2.10790
   A176       2.16069  -0.00104  -0.00124   0.00000  -0.00122   2.15946
   A177       2.00253   0.01049   0.01185   0.00000   0.01187   2.01441
   A178       2.11840  -0.00942  -0.01059   0.00000  -0.01063   2.10777
   A179       2.16037  -0.00102  -0.00122   0.00000  -0.00120   2.15917
   A180       2.00300   0.01045   0.01182   0.00000   0.01184   2.01484
   A181       2.11398   0.00290   0.00331   0.00000   0.00322   2.11720
   A182       2.09013  -0.00420  -0.00524   0.00000  -0.00520   2.08494
   A183       2.07854   0.00132   0.00197   0.00000   0.00202   2.08055
   A184       2.07931   0.00356   0.00394   0.00000   0.00389   2.08320
   A185       2.10220  -0.00199  -0.00222   0.00000  -0.00219   2.10001
   A186       2.10084  -0.00154  -0.00169   0.00000  -0.00167   2.09917
   A187       2.06609   0.00406   0.00541   0.00000   0.00545   2.07154
   A188       2.12567  -0.00529  -0.00678   0.00000  -0.00680   2.11887
   A189       2.09132   0.00123   0.00137   0.00000   0.00135   2.09267
   A190       2.06623   0.00403   0.00538   0.00000   0.00543   2.07166
   A191       2.12559  -0.00528  -0.00677   0.00000  -0.00679   2.11880
   A192       2.09125   0.00126   0.00139   0.00000   0.00137   2.09262
   A193       2.07906   0.00358   0.00397   0.00000   0.00392   2.08298
   A194       2.10099  -0.00156  -0.00171   0.00000  -0.00169   2.09931
   A195       2.10227  -0.00199  -0.00222   0.00000  -0.00219   2.10008
   A196       2.11403   0.00294   0.00336   0.00000   0.00326   2.11730
   A197       2.07857   0.00130   0.00195   0.00000   0.00199   2.08057
   A198       2.09004  -0.00422  -0.00526   0.00000  -0.00522   2.08483
   A199       2.11863  -0.00947  -0.01066   0.00000  -0.01070   2.10793
   A200       2.16025  -0.00102  -0.00123   0.00000  -0.00121   2.15904
   A201       2.00290   0.01050   0.01189   0.00000   0.01191   2.01481
   A202       2.11884  -0.00945  -0.01062   0.00000  -0.01065   2.10819
   A203       2.16052  -0.00111  -0.00132   0.00000  -0.00130   2.15921
   A204       2.00242   0.01057   0.01194   0.00000   0.01196   2.01438
   A205       2.11384   0.00296   0.00339   0.00000   0.00329   2.11713
   A206       2.09004  -0.00419  -0.00523   0.00000  -0.00518   2.08486
   A207       2.07876   0.00126   0.00188   0.00000   0.00193   2.08069
   A208       2.07917   0.00353   0.00390   0.00000   0.00384   2.08302
   A209       2.10215  -0.00195  -0.00217   0.00000  -0.00214   2.10001
   A210       2.10100  -0.00155  -0.00170   0.00000  -0.00167   2.09933
   A211       2.06620   0.00409   0.00546   0.00000   0.00550   2.07170
   A212       2.12566  -0.00532  -0.00682   0.00000  -0.00684   2.11882
   A213       2.09122   0.00123   0.00136   0.00000   0.00133   2.09255
   A214       2.06613   0.00408   0.00544   0.00000   0.00549   2.07161
   A215       2.12572  -0.00532  -0.00681   0.00000  -0.00683   2.11889
   A216       2.09123   0.00124   0.00137   0.00000   0.00135   2.09258
   A217       2.07923   0.00355   0.00393   0.00000   0.00388   2.08311
   A218       2.10079  -0.00153  -0.00167   0.00000  -0.00165   2.09914
   A219       2.10232  -0.00199  -0.00223   0.00000  -0.00220   2.10012
   A220       2.11397   0.00292   0.00333   0.00000   0.00323   2.11720
   A221       2.07863   0.00130   0.00194   0.00000   0.00199   2.08062
   A222       2.09006  -0.00419  -0.00523   0.00000  -0.00518   2.08488
   A223       2.11852  -0.00941  -0.01058   0.00000  -0.01062   2.10790
   A224       2.16027  -0.00104  -0.00125   0.00000  -0.00123   2.15904
   A225       2.00297   0.01047   0.01184   0.00000   0.01186   2.01483
   A226       2.11845  -0.00946  -0.01063   0.00000  -0.01067   2.10779
   A227       2.16036  -0.00099  -0.00118   0.00000  -0.00117   2.15919
   A228       2.00294   0.01046   0.01182   0.00000   0.01184   2.01478
   A229       2.11399   0.00293   0.00335   0.00000   0.00325   2.11724
   A230       2.08998  -0.00421  -0.00526   0.00000  -0.00522   2.08476
   A231       2.07867   0.00131   0.00195   0.00000   0.00200   2.08067
   A232       2.07927   0.00356   0.00394   0.00000   0.00389   2.08316
   A233       2.10214  -0.00197  -0.00220   0.00000  -0.00217   2.09996
   A234       2.10092  -0.00156  -0.00171   0.00000  -0.00168   2.09924
   A235       2.06609   0.00405   0.00541   0.00000   0.00545   2.07154
   A236       2.12580  -0.00531  -0.00680   0.00000  -0.00682   2.11898
   A237       2.09118   0.00126   0.00139   0.00000   0.00137   2.09256
    D1       -0.00599   0.00013   0.00019   0.00000   0.00019  -0.00580
    D2        3.11039   0.00014   0.00020   0.00000   0.00020   3.11058
    D3        3.13899   0.00000  -0.00003   0.00000  -0.00003   3.13897
    D4       -0.02782   0.00002  -0.00002   0.00000  -0.00002  -0.02784
    D5       -0.00113  -0.00005  -0.00008   0.00000  -0.00008  -0.00121
    D6        3.12922  -0.00017  -0.00030   0.00000  -0.00030   3.12892
    D7        3.13713   0.00005   0.00011   0.00000   0.00011   3.13724
    D8       -0.01571  -0.00006  -0.00011   0.00000  -0.00011  -0.01582
    D9        3.05713  -0.00105  -0.00162   0.00000  -0.00162   3.05551
   D10       -0.08542  -0.00105  -0.00162   0.00000  -0.00162  -0.08704
   D11       -0.08077  -0.00120  -0.00187   0.00000  -0.00187  -0.08264
   D12        3.05987  -0.00120  -0.00187   0.00000  -0.00187   3.05800
   D13        0.01058  -0.00011  -0.00015   0.00000  -0.00015   0.01044
   D14        3.13945   0.00041   0.00063   0.00000   0.00062   3.14008
   D15       -3.10522  -0.00020  -0.00024   0.00000  -0.00024  -3.10547
   D16        0.02365   0.00032   0.00053   0.00000   0.00053   0.02417
   D17       -0.00771  -0.00005  -0.00008   0.00000  -0.00008  -0.00779
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   D239      -3.10064   0.00008   0.00028   0.00000   0.00028  -3.10036
   D240       0.02522   0.00012   0.00030   0.00000   0.00030   0.02552
   D241      -0.01322   0.00040   0.00049   0.00000   0.00049  -0.01274
   D242       3.04582  -0.00035  -0.00053   0.00000  -0.00055   3.04527
   D243       3.13935   0.00050   0.00063   0.00000   0.00062   3.13997
   D244      -0.08479  -0.00025  -0.00039   0.00000  -0.00041  -0.08520
   D245      -3.09946   0.00010   0.00030   0.00000   0.00030  -3.09916
   D246       0.02580   0.00012   0.00029   0.00000   0.00029   0.02609
   D247       0.02846  -0.00010   0.00002   0.00000   0.00003   0.02848
   D248      -3.12947  -0.00008   0.00001   0.00000   0.00001  -3.12945
   D249       3.11991  -0.00076  -0.00123   0.00000  -0.00122   3.11869
   D250       0.03857  -0.00126  -0.00172   0.00000  -0.00172   0.03685
   D251       0.08561   0.00004   0.00005   0.00000   0.00006   0.08567
   D252      -2.99573  -0.00046  -0.00044   0.00000  -0.00043  -2.99616
   D253      -0.01289   0.00039   0.00047   0.00000   0.00047  -0.01242
   D254       3.13933   0.00050   0.00062   0.00000   0.00061   3.13994
   D255       3.04615  -0.00034  -0.00052   0.00000  -0.00054   3.04561
   D256      -0.08481  -0.00023  -0.00038   0.00000  -0.00040  -0.08521
   D257       3.12003  -0.00077  -0.00124   0.00000  -0.00123   3.11880
   D258       0.03861  -0.00131  -0.00178   0.00000  -0.00178   0.03682
   D259       0.08561   0.00004   0.00005   0.00000   0.00006   0.08567
   D260      -2.99581  -0.00050  -0.00050   0.00000  -0.00049  -2.99630
   D261       0.01507  -0.00021  -0.00030   0.00000  -0.00032   0.01474
   D262      -3.13765  -0.00053  -0.00071   0.00000  -0.00073  -3.13837
   D263      -3.13790  -0.00053  -0.00072   0.00000  -0.00074  -3.13864
   D264      -0.00743  -0.00086  -0.00112   0.00000  -0.00114  -0.00857
   D265       0.02844  -0.00011   0.00001   0.00000   0.00002   0.02846
   D266      -3.12924  -0.00007   0.00003   0.00000   0.00003  -3.12921
   D267      -3.09992   0.00009   0.00029   0.00000   0.00030  -3.09962
   D268       0.02560   0.00012   0.00030   0.00000   0.00031   0.02590
   D269      -0.01271   0.00039   0.00048   0.00000   0.00048  -0.01222
   D270       3.04664  -0.00033  -0.00051   0.00000  -0.00053   3.04611
   D271       3.13928   0.00050   0.00063   0.00000   0.00062   3.13990
   D272      -0.08456  -0.00023  -0.00037   0.00000  -0.00039  -0.08495
   D273      -3.10036   0.00009   0.00028   0.00000   0.00029  -3.10007
   D274       0.02540   0.00011   0.00028   0.00000   0.00029   0.02569
   D275       0.02829  -0.00011   0.00001   0.00000   0.00001   0.02830
   D276      -3.12914  -0.00008   0.00001   0.00000   0.00001  -3.12912
   D277       3.12011  -0.00076  -0.00122   0.00000  -0.00122   3.11889
   D278       0.03868  -0.00129  -0.00176   0.00000  -0.00176   0.03692
   D279       0.08529   0.00004   0.00004   0.00000   0.00006   0.08534
   D280      -2.99614  -0.00050  -0.00050   0.00000  -0.00049  -2.99663
   D281       0.01312  -0.00039  -0.00048   0.00000  -0.00048   0.01264
   D282      -3.13946  -0.00050  -0.00062   0.00000  -0.00062  -3.14008
   D283      -3.04564   0.00034   0.00052   0.00000   0.00054  -3.04511
   D284       0.08496   0.00024   0.00038   0.00000   0.00040   0.08536
   D285      -3.11949   0.00074   0.00120   0.00000   0.00119  -3.11830
   D286      -0.03839   0.00127   0.00173   0.00000   0.00172  -0.03667
   D287      -0.08549  -0.00005  -0.00006   0.00000  -0.00008  -0.08557
   D288       2.99561   0.00048   0.00047   0.00000   0.00046   2.99607
   D289      -0.01511   0.00022   0.00032   0.00000   0.00034  -0.01477
   D290       3.13771   0.00053   0.00072   0.00000   0.00073   3.13845
   D291       3.13824   0.00055   0.00074   0.00000   0.00076   3.13900
   D292       0.00788   0.00087   0.00113   0.00000   0.00115   0.00903
   D293      -0.02876   0.00012   0.00000   0.00000  -0.00001  -0.02877
   D294       3.12935   0.00008  -0.00001   0.00000  -0.00001   3.12933
   D295       3.09915  -0.00008  -0.00027   0.00000  -0.00028   3.09887
   D296      -0.02593  -0.00011  -0.00028   0.00000  -0.00029  -0.02622
   D297       0.01254  -0.00041  -0.00050   0.00000  -0.00050   0.01203
   D298      -3.04691   0.00033   0.00051   0.00000   0.00052  -3.04638
   D299      -3.13955  -0.00050  -0.00063   0.00000  -0.00063  -3.14018
   D300       0.08419   0.00024   0.00038   0.00000   0.00040   0.08459
   D301       3.10049  -0.00008  -0.00028   0.00000  -0.00028   3.10020
   D302      -0.02549  -0.00012  -0.00029   0.00000  -0.00029  -0.02579
   D303      -0.02804   0.00010  -0.00002   0.00000  -0.00003  -0.02806
   D304       3.12917   0.00007  -0.00003   0.00000  -0.00004   3.12913
   D305      -3.11990   0.00076   0.00123   0.00000   0.00122  -3.11868
   D306      -0.03863   0.00134   0.00183   0.00000   0.00183  -0.03681
   D307      -0.08500  -0.00004  -0.00005   0.00000  -0.00007  -0.08507
   D308       2.99626   0.00053   0.00055   0.00000   0.00054   2.99680
   D309       0.02970  -0.00030  -0.00026   0.00000  -0.00026   0.02944
   D310       3.12696   0.00035   0.00055   0.00000   0.00055   3.12751
   D311      -3.09590  -0.00025  -0.00017   0.00000  -0.00016  -3.09606
   D312       0.00137   0.00040   0.00064   0.00000   0.00064   0.00201
   D313      -0.02702  -0.00026  -0.00047   0.00000  -0.00047  -0.02749
   D314       3.07906   0.00058   0.00069   0.00000   0.00069   3.07975
   D315      -3.12425  -0.00092  -0.00129   0.00000  -0.00129  -3.12554
   D316      -0.01817  -0.00008  -0.00013   0.00000  -0.00013  -0.01830
   D317      -0.03380   0.00078   0.00103   0.00000   0.00103  -0.03277
   D318       3.05267   0.00093   0.00113   0.00000   0.00113   3.05380
   D319      -3.13965  -0.00018  -0.00028   0.00000  -0.00028  -3.13992
   D320      -0.05318  -0.00003  -0.00018   0.00000  -0.00018  -0.05336
   D321      -0.03333   0.00076   0.00100   0.00000   0.00100  -0.03233
   D322      -3.13938  -0.00025  -0.00037   0.00000  -0.00037  -3.13974
   D323       3.05312   0.00098   0.00120   0.00000   0.00121   3.05433
   D324      -0.05292  -0.00002  -0.00016   0.00000  -0.00016  -0.05308
   D325      -0.02712  -0.00024  -0.00044   0.00000  -0.00045  -0.02756
   D326      -3.12478  -0.00094  -0.00131   0.00000  -0.00132  -3.12610
   D327       3.07916   0.00064   0.00077   0.00000   0.00077   3.07993
   D328      -0.01851  -0.00006  -0.00010   0.00000  -0.00010  -0.01861
   D329       0.02961  -0.00030  -0.00026   0.00000  -0.00026   0.02935
   D330      -3.09657  -0.00027  -0.00020   0.00000  -0.00020  -3.09678
   D331       3.12732   0.00039   0.00060   0.00000   0.00059   3.12791
   D332       0.00113   0.00041   0.00065   0.00000   0.00065   0.00178
   D333       0.02989  -0.00030  -0.00027   0.00000  -0.00027   0.02962
   D334       3.12727   0.00037   0.00057   0.00000   0.00056   3.12783
   D335      -3.09619  -0.00027  -0.00020   0.00000  -0.00019  -3.09638
   D336       0.00119   0.00040   0.00064   0.00000   0.00064   0.00183
   D337      -0.02731  -0.00024  -0.00044   0.00000  -0.00045  -0.02776
   D338       3.07904   0.00061   0.00073   0.00000   0.00073   3.07977
   D339      -3.12465  -0.00093  -0.00129   0.00000  -0.00130  -3.12595
   D340      -0.01831  -0.00007  -0.00012   0.00000  -0.00012  -0.01843
   D341      -0.03344   0.00077   0.00101   0.00000   0.00102  -0.03243
   D342       3.05308   0.00095   0.00116   0.00000   0.00117   3.05424
   D343      -3.13956  -0.00021  -0.00031   0.00000  -0.00031  -3.13987
   D344      -0.05304  -0.00002  -0.00016   0.00000  -0.00016  -0.05320
   D345      -0.03374   0.00078   0.00102   0.00000   0.00103  -0.03271
   D346      -3.13969  -0.00021  -0.00032   0.00000  -0.00031  -3.14000
   D347       3.05280   0.00096   0.00117   0.00000   0.00117   3.05398
   D348      -0.05315  -0.00002  -0.00017   0.00000  -0.00017  -0.05331
   D349      -0.02715  -0.00025  -0.00046   0.00000  -0.00046  -0.02761
   D350      -3.12443  -0.00094  -0.00131   0.00000  -0.00131  -3.12574
   D351       3.07903   0.00062   0.00073   0.00000   0.00073   3.07976
   D352      -0.01826  -0.00007  -0.00013   0.00000  -0.00012  -0.01838
   D353       0.02980  -0.00030  -0.00026   0.00000  -0.00026   0.02954
   D354      -3.09603  -0.00027  -0.00020   0.00000  -0.00019  -3.09623
   D355       3.12712   0.00038   0.00058   0.00000   0.00058   3.12770
   D356       0.00128   0.00041   0.00065   0.00000   0.00065   0.00193
   D357      -0.02992   0.00031   0.00027   0.00000   0.00027  -0.02964
   D358      -3.12736  -0.00038  -0.00059   0.00000  -0.00059  -3.12795
   D359       3.09638   0.00028   0.00021   0.00000   0.00021   3.09659
   D360      -0.00106  -0.00041  -0.00065   0.00000  -0.00066  -0.00172
   D361       0.02726   0.00024   0.00044   0.00000   0.00044   0.02770
   D362      -3.07929  -0.00064  -0.00076   0.00000  -0.00077  -3.08006
   D363       3.12466   0.00094   0.00132   0.00000   0.00132   3.12598
   D364       0.01811   0.00006   0.00012   0.00000   0.00011   0.01822
   D365       0.03335  -0.00076  -0.00100   0.00000  -0.00101   0.03234
   D366      -3.05303  -0.00098  -0.00121   0.00000  -0.00121  -3.05424
   D367       3.13967   0.00023   0.00035   0.00000   0.00035   3.14002
   D368       0.05330   0.00001   0.00015   0.00000   0.00015   0.05344
   D369       0.03356  -0.00077  -0.00101   0.00000  -0.00101   0.03254
   D370       3.13933   0.00020   0.00031   0.00000   0.00031   3.13964
   D371      -3.05267  -0.00095  -0.00115   0.00000  -0.00115  -3.05383
   D372       0.05311   0.00002   0.00017   0.00000   0.00017   0.05327
   D373       0.02712   0.00025   0.00046   0.00000   0.00046   0.02758
   D374       3.12441   0.00092   0.00129   0.00000   0.00129   3.12570
   D375      -3.07889  -0.00060  -0.00071   0.00000  -0.00071  -3.07960
   D376       0.01840   0.00007   0.00012   0.00000   0.00012   0.01852
   D377      -0.02954   0.00029   0.00025   0.00000   0.00025  -0.02928
   D378       3.09588   0.00026   0.00018   0.00000   0.00018   3.09606
   D379      -3.12686  -0.00036  -0.00056   0.00000  -0.00056  -3.12742
   D380      -0.00144  -0.00040  -0.00063   0.00000  -0.00063  -0.00208
         Item               Value     Threshold  Converged?
 Maximum Force            0.102104     0.000450     NO 
 RMS     Force            0.022020     0.000300     NO 
 Maximum Displacement     0.764477     0.001800     NO 
 RMS     Displacement     0.175540     0.001200     NO 
 Predicted change in Energy=-2.388013D-01
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C74H46ClN5
 Framework group  C1[X(C74H46ClN5)]
 Deg. of freedom   372
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        1.222222    2.355549   -0.123605
      2          6           0        1.521593    1.002088   -0.108060
      3          6           0        0.609183   -0.044289   -0.083283
      4          6           0       -0.748704    0.295965   -0.085899
      5          6           0       -1.084743    1.639984   -0.103244
      6          6           0       -0.142142    2.632145   -0.119621
      7          6           0        0.978896   -1.420016   -0.070003
      8          6           0       -0.016455   -2.409081   -0.067579
      9          6           0       -1.377031   -2.058720   -0.065012
     10          6           0       -1.751478   -0.705953   -0.074384
     11          6           0        2.297654   -1.848420   -0.047325
     12          6           0        2.741442   -3.163250   -0.034215
     13          6           0        1.714303   -4.102282   -0.040400
     14          6           0        0.398453   -3.733978   -0.054650
     15          7           0       -2.360414   -2.970427   -0.045259
     16          6           0       -3.656372   -2.616641   -0.063694
     17          6           0       -3.977211   -1.260396   -0.085153
     18          7           0       -3.018184   -0.350447   -0.109997
     19          6           0       -4.689300   -3.535315   -0.053512
     20          6           0       -5.991355   -3.118227   -0.063876
     21          6           0       -6.369471   -1.768430   -0.086187
     22          6           0       -5.313825   -0.875467   -0.099933
     23          6           0        2.217983    3.381131   -0.145885
     24          6           0        4.121619   -3.528887   -0.011981
     25          6           0       -7.736751   -1.353738   -0.095344
     26          6           0        4.562253   -4.842695    0.093048
     27          6           0        5.888291   -5.201143    0.113140
     28          6           0        6.936754   -4.291462    0.040844
     29          6           0        6.493394   -2.978004   -0.063081
     30          6           0        5.168195   -2.617983   -0.093165
     31          6           0        1.919945    4.733308   -0.261203
     32          6           0        2.871811    5.724224   -0.282303
     33          6           0        4.238435    5.486140   -0.200088
     34          6           0        4.534442    4.133060   -0.085027
     35          6           0        3.583722    3.141566   -0.054304
     36          6           0       -8.806778   -2.238381   -0.045178
     37          6           0      -10.122077   -1.840898   -0.058025
     38          6           0      -10.527924   -0.512931   -0.110674
     39          6           0       -9.454643    0.369640   -0.155853
     40          6           0       -8.139140   -0.025202   -0.154036
     41          7           0        5.182894    6.468977   -0.228064
     42          7           0        8.252151   -4.646519    0.066906
     43          7           0      -11.832845   -0.119302   -0.117515
     44          6           0        8.774020   -5.852946   -0.307875
     45          6           0       10.158015   -5.844555   -0.133670
     46          6           0       10.492458   -4.568809    0.355259
     47          6           0        9.295202   -3.863098    0.475599
     48          6           0        6.483049    6.333192   -0.627009
     49          6           0        7.144766    7.555868   -0.511413
     50          6           0        6.197492    8.479933   -0.035096
     51          6           0        5.006451    7.774306    0.136589
     52          6           0      -12.318070    1.086029    0.307103
     53          6           0      -13.702548    1.124361    0.140663
     54          6           0      -14.076073   -0.121487   -0.394720
     55          6           0      -12.900194   -0.856015   -0.548798
     56          6           0       11.720235   -4.038319    0.690480
     57          6           0       11.771322   -2.762522    1.199663
     58          6           0       10.595299   -2.063113    1.393861
     59          6           0        9.375972   -2.606568    1.057623
     60          6           0        8.233496   -6.985924   -0.897979
     61          6           0        9.025461   -8.073051   -1.191483
     62          6           0       10.385101   -8.058538   -0.944624
     63          6           0       10.963754   -6.924811   -0.425536
     64          6           0        6.328906    9.823029    0.248302
     65          6           0        5.245408   10.499581    0.755958
     66          6           0        4.071595    9.812284    1.000564
     67          6           0        3.955563    8.470461    0.715725
     68          6           0        7.203973    5.293914   -1.196754
     69          6           0        8.531190    5.454143   -1.525526
     70          6           0        9.177259    6.661023   -1.335899
     71          6           0        8.472594    7.731680   -0.839245
     72          6           0      -15.320299   -0.603550   -0.742388
     73          6           0      -15.410547   -1.857355   -1.298648
     74          6           0      -14.256150   -2.582324   -1.525955
     75          6           0      -13.020036   -2.087114   -1.176742
     76          6           0      -11.742407    2.178718    0.938624
     77          6           0      -12.501218    3.275757    1.279017
     78          6           0      -13.861800    3.310242    1.039242
     79          6           0      -14.475334    2.215070    0.479142
     80          1           0       -2.157766   -3.966580   -0.124241
     81          1           0        2.577910    0.752884   -0.141035
     82          1           0       -2.127815    1.967814   -0.098832
     83          1           0       -0.540144    3.649744   -0.118718
     84          1           0        3.074387   -1.091116   -0.014504
     85          1           0        1.898013   -5.179279   -0.040311
     86          1           0       -0.304034   -4.572275   -0.052145
     87          1           0       -4.472034   -4.609606   -0.033172
     88          1           0       -6.721766   -3.930436   -0.056567
     89          1           0       -5.471487    0.204731   -0.117777
     90          1           0        3.866071   -5.677247    0.208450
     91          1           0        6.071079   -6.260174    0.299340
     92          1           0        7.192608   -2.158520   -0.234819
     93          1           0        4.997031   -1.546340   -0.227932
     94          1           0        0.894090    5.089127   -0.385841
     95          1           0        2.483720    6.724605   -0.478078
     96          1           0        5.554802    3.792374    0.095564
     97          1           0        3.988774    2.136236    0.090972
     98          1           0       -8.659682   -3.317903    0.042256
     99          1           0      -10.842942   -2.647096    0.083178
    100          1           0       -9.608631    1.439513   -0.301914
    101          1           0       -7.419299    0.793274   -0.235872
    102          1           0       12.641934   -4.615752    0.573212
    103          1           0       12.731466   -2.320530    1.486919
    104          1           0       10.633883   -1.069485    1.854059
    105          1           0        8.505415   -2.007925    1.329798
    106          1           0        7.191009   -7.067815   -1.209200
    107          1           0        8.576389   -8.956267   -1.659215
    108          1           0       11.002433   -8.927219   -1.197886
    109          1           0       12.045308   -6.888706   -0.266031
    110          1           0        7.275260   10.348726    0.091107
    111          1           0        5.324755   11.563908    1.002416
    112          1           0        3.228449   10.340474    1.459564
    113          1           0        3.018419    8.005120    1.024664
    114          1           0        6.768279    4.330209   -1.464597
    115          1           0        9.079277    4.619115   -1.975944
    116          1           0       10.229783    6.774976   -1.616945
    117          1           0        8.963985    8.702379   -0.725646
    118          1           0      -16.224376   -0.004954   -0.597563
    119          1           0      -16.384508   -2.260598   -1.596229
    120          1           0      -14.325611   -3.556553   -2.022497
    121          1           0      -12.168176   -2.699656   -1.475821
    122          1           0      -10.696838    2.218022    1.247550
    123          1           0      -12.024590    4.126281    1.778939
    124          1           0      -14.452557    4.185559    1.330248
    125          1           0      -15.558296    2.216326    0.324926
    126         17           0       -2.238457   -3.418847    2.732462
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           0.0234302           0.0074962           0.0057633
 Standard basis: 6-31G(d,p) (6D, 7F)
 There are  1434 symmetry adapted cartesian basis functions of A   symmetry.
 There are  1434 symmetry adapted basis functions of A   symmetry.
  1434 basis functions,  2586 primitive gaussians,  1434 cartesian basis functions
   271 alpha electrons      271 beta electrons
       nuclear repulsion energy     10665.2150471685 Hartrees.
 NAtoms=  126 NActive=  126 NUniq=  126 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=T Big=T
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 One-electron integrals computed using PRISM.
 NBasis=  1434 RedAO= T EigKep=  9.96D-05  NBF=  1434
 NBsUse=  1434 1.00D-06 EigRej= -1.00D+00 NBFU=  1434
 Initial guess from the checkpoint file:  "ph.chk"
 B after Tr=    -0.000000   -0.000000   -0.000000
         Rot=    0.999988    0.000706    0.000090    0.004914 Ang=   0.57 deg.
 ExpMin= 1.43D-01 ExpMax= 2.52D+04 ExpMxC= 3.78D+03 IAcc=2 IRadAn=         4 AccDes= 0.00D+00
 Harris functional with IExCor=  402 and IRadAn=       4 diagonalized for initial guess.
 HarFok:  IExCor=  402 AccDes= 0.00D+00 IRadAn=         4 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=        2001
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Petite list used in FoFCou.
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Integral accuracy reduced to 1.0D-05 until final iterations.
 Initial convergence to 1.0D-05 achieved.  Increase integral accuracy.
 SCF Done:  E(RB3LYP) =  -3581.63223307     A.U. after   17 cycles
            NFock= 17  Conv=0.52D-08     -V/T= 2.0075
 Calling FoFJK, ICntrl=      2127 FMM=T ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.025393409   -0.013661562    0.002854505
      2        6          -0.031601382   -0.014480698    0.000744724
      3        6          -0.001470162    0.021944852   -0.001842548
      4        6          -0.009495454    0.006824370   -0.001565521
      5        6           0.015168687    0.022646974   -0.001543535
      6        6           0.009804610    0.024812320   -0.002782456
      7        6          -0.004650958   -0.018541868    0.000928928
      8        6          -0.001314993   -0.012117404    0.001896042
      9        6           0.002438611   -0.004510276    0.003078256
     10        6           0.019977292    0.000451304    0.002276025
     11        6          -0.030516394    0.011817185   -0.004284050
     12        6           0.024657486    0.015149728    0.000063896
     13        6           0.010980368   -0.025945929    0.004795661
     14        6           0.015406034   -0.021816660    0.003573993
     15        7          -0.005158688   -0.011125242    0.007089979
     16        6           0.011539170   -0.008188486    0.001182916
     17        6           0.001950087   -0.002517286    0.000370586
     18        7          -0.013087193    0.031797758   -0.005838192
     19        6           0.009171304   -0.024764319    0.005219050
     20        6           0.015203871   -0.027436334    0.004762803
     21        6          -0.027447294   -0.004524600   -0.001448236
     22        6           0.007405156    0.029089683   -0.002052369
     23        6          -0.021698078    0.010211507   -0.002425229
     24        6          -0.020621771   -0.010882013   -0.000399151
     25        6           0.020450908    0.012580187   -0.000025225
     26        6           0.019073316   -0.015444759   -0.000097477
     27        6           0.005706132   -0.034106430   -0.006564484
     28        6           0.032601313    0.020069891    0.000745829
     29        6          -0.028283702    0.020349754    0.006200623
     30        6          -0.005946150    0.023620601    0.000444410
     31        6           0.018169595    0.015986558    0.003120331
     32        6           0.002773608    0.034156830    0.007654503
     33        6           0.033838011   -0.018818993    0.003652098
     34        6          -0.026253030   -0.021189725   -0.010142660
     35        6          -0.004453041   -0.023723758   -0.001284683
     36        6           0.005345025   -0.023430036    0.000952968
     37        6           0.029014616   -0.019403302   -0.005276483
     38        6          -0.031825124   -0.021604012   -0.000027472
     39        6          -0.007108023    0.034121256    0.005446894
     40        6          -0.018991291    0.014946444   -0.000690428
     41        7           0.005077305   -0.002995974    0.000583274
     42        7           0.005934157    0.003780943    0.000078515
     43        7          -0.005561248   -0.003493544   -0.000001291
     44        6           0.001963915   -0.036576128    0.021373640
     45        6          -0.007273263   -0.007051358   -0.001646850
     46        6          -0.009527064   -0.003423818    0.001305528
     47        6          -0.031214694    0.018315972   -0.022020823
     48        6          -0.032620819   -0.020110583    0.017559524
     49        6          -0.009458596    0.003156042   -0.002628626
     50        6          -0.007817613    0.006565818    0.000727752
     51        6           0.003454587    0.036672647   -0.020825008
     52        6          -0.002885070    0.035532704   -0.022888450
     53        6           0.007082674    0.007255538    0.001422552
     54        6           0.009448733    0.003734047   -0.001399239
     55        6           0.031459507   -0.016770960    0.022837300
     56        6          -0.017316878   -0.008265792   -0.001407552
     57        6          -0.023235787   -0.000766802   -0.006821131
     58        6          -0.007057603    0.013712511   -0.011227223
     59        6           0.022685018    0.027884567   -0.010083133
     60        6           0.034621467    0.007827008    0.011477392
     61        6           0.008850746   -0.012550482    0.011294644
     62        6          -0.011254857   -0.020668445    0.006074873
     63        6          -0.014988270   -0.011821024    0.000698667
     64        6          -0.015328091    0.011210398   -0.002685991
     65        6          -0.011266531    0.020192412   -0.007432667
     66        6           0.009736812    0.013053942   -0.009842191
     67        6           0.036210308   -0.006020806   -0.006610812
     68        6           0.022211592   -0.026942387    0.013036871
     69        6          -0.007727241   -0.014101432    0.010053016
     70        6          -0.024050367   -0.000328053    0.003583152
     71        6          -0.017616312    0.007350390   -0.000905015
     72        6           0.017013899    0.008685989    0.001121641
     73        6           0.023219631    0.001732243    0.006870133
     74        6           0.007304991   -0.013052798    0.011782250
     75        6          -0.021934231   -0.027940642    0.011238830
     76        6          -0.034387958   -0.009172055   -0.011157579
     77        6          -0.009173292    0.011824725   -0.011763409
     78        6           0.010716390    0.020712492   -0.006845104
     79        6           0.014683970    0.012230745   -0.001163563
     80        1          -0.003923547    0.005055650   -0.010616903
     81        1           0.002889405   -0.001276195    0.000056442
     82        1          -0.001214606   -0.010296498    0.001055884
     83        1          -0.005622767   -0.004809312    0.000020394
     84        1           0.003151554    0.001790634    0.000138369
     85        1          -0.005336930    0.004897962   -0.001066321
     86        1          -0.001493109    0.007174854   -0.002490862
     87        1          -0.001527784    0.006362555   -0.002373765
     88        1          -0.001517799    0.007742433   -0.001095114
     89        1           0.001657326   -0.005295502    0.000216382
     90        1          -0.002271750    0.006377471    0.000179087
     91        1          -0.005232309    0.004534101    0.001812979
     92        1           0.001803338   -0.006708516   -0.002014860
     93        1           0.004948578   -0.004905251   -0.000245266
     94        1          -0.001797298   -0.006515018   -0.000757275
     95        1          -0.004681170   -0.004681360   -0.002636058
     96        1           0.001153601    0.006678362    0.002187025
     97        1           0.004683524    0.005053201    0.000851001
     98        1          -0.004492582    0.004779788   -0.000033699
     99        1          -0.001915934    0.006698082    0.001611604
    100        1           0.005421630   -0.004417270   -0.001714916
    101        1           0.002433437   -0.006261746   -0.000170878
    102        1           0.005418304    0.002503868    0.000381932
    103        1           0.005568483   -0.000086524    0.002744724
    104        1           0.003458339   -0.004411628    0.003988920
    105        1           0.000756841   -0.005186601    0.005745332
    106        1          -0.004117541    0.003011628   -0.005878051
    107        1          -0.002267804    0.005097271   -0.004006578
    108        1           0.002487638    0.005102466   -0.002586436
    109        1           0.004607333    0.003723854   -0.000167780
    110        1           0.004724012   -0.003520265    0.000774007
    111        1           0.002333004   -0.005004660    0.002857162
    112        1          -0.002568091   -0.005258566    0.003595223
    113        1          -0.004724414   -0.003308520    0.005205929
    114        1           0.001351566    0.005258920   -0.005631154
    115        1           0.003719670    0.004569337   -0.003453504
    116        1           0.005861364    0.000370796   -0.001967792
    117        1           0.005498627   -0.002236472    0.000333796
    118        1          -0.005326767   -0.002655014   -0.000305353
    119        1          -0.005543524   -0.000195252   -0.002767938
    120        1          -0.003529404    0.004106588   -0.004185562
    121        1          -0.000839981    0.004858471   -0.006025416
    122        1           0.004149489   -0.002703130    0.005942361
    123        1           0.002404344   -0.004885619    0.004180273
    124        1          -0.002345009   -0.005057380    0.002770794
    125        1          -0.004508959   -0.003856429    0.000307824
    126       17           0.000191876   -0.003937123    0.002705319
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.036672647 RMS     0.012684892

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.039565073 RMS     0.009115927
 Search for a local minimum.
 Step number   3 out of a maximum of  756
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- RFO/linear search
 Update second derivatives using D2CorX and points    2    3
 ITU=  0  1  0
 Use linear search instead of GDIIS.
     Eigenvalues ---    0.02027   0.02575   0.02577   0.02594   0.02666
     Eigenvalues ---    0.02674   0.02687   0.02688   0.02694   0.02699
     Eigenvalues ---    0.02701   0.02702   0.02703   0.02709   0.02710
     Eigenvalues ---    0.02713   0.02722   0.02741   0.02743   0.02754
     Eigenvalues ---    0.02759   0.02762   0.02768   0.02769   0.02770
     Eigenvalues ---    0.02773   0.02787   0.02789   0.02789   0.02790
     Eigenvalues ---    0.02790   0.02790   0.02793   0.02793   0.02793
     Eigenvalues ---    0.02793   0.02794   0.02794   0.02794   0.02801
     Eigenvalues ---    0.02801   0.02803   0.02810   0.02810   0.02810
     Eigenvalues ---    0.02816   0.02817   0.02818   0.02818   0.02822
     Eigenvalues ---    0.02824   0.02825   0.02825   0.02825   0.02825
     Eigenvalues ---    0.02826   0.02826   0.02826   0.02826   0.02826
     Eigenvalues ---    0.02830   0.02837   0.02839   0.02847   0.02847
     Eigenvalues ---    0.02847   0.02847   0.02847   0.02847   0.02853
     Eigenvalues ---    0.02858   0.02860   0.02866   0.02871   0.02871
     Eigenvalues ---    0.02871   0.02875   0.02875   0.02875   0.02879
     Eigenvalues ---    0.02879   0.02879   0.02879   0.02879   0.02880
     Eigenvalues ---    0.02884   0.02885   0.02885   0.02885   0.02885
     Eigenvalues ---    0.02885   0.02885   0.02885   0.02886   0.02897
     Eigenvalues ---    0.02900   0.02900   0.02900   0.02908   0.02909
     Eigenvalues ---    0.02910   0.02912   0.02912   0.02912   0.02915
     Eigenvalues ---    0.02927   0.02927   0.02928   0.02962   0.02962
     Eigenvalues ---    0.02962   0.02977   0.03026   0.03026   0.03026
     Eigenvalues ---    0.03048   0.03136   0.03136   0.03136   0.03149
     Eigenvalues ---    0.03151   0.03155   0.03266   0.06463   0.15887
     Eigenvalues ---    0.15901   0.15913   0.15915   0.15923   0.15924
     Eigenvalues ---    0.15926   0.15953   0.15974   0.15974   0.15974
     Eigenvalues ---    0.15974   0.15974   0.15984   0.15985   0.15985
     Eigenvalues ---    0.15985   0.15985   0.15985   0.15986   0.15988
     Eigenvalues ---    0.15990   0.15991   0.15991   0.15994   0.15994
     Eigenvalues ---    0.15994   0.15994   0.15994   0.15994   0.15994
     Eigenvalues ---    0.15996   0.15997   0.15997   0.15998   0.15998
     Eigenvalues ---    0.15998   0.15998   0.15998   0.15999   0.15999
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16001
     Eigenvalues ---    0.17251   0.21994   0.21995   0.21995   0.21995
     Eigenvalues ---    0.21995   0.21996   0.22008   0.22008   0.22009
     Eigenvalues ---    0.22404   0.22417   0.22428   0.22540   0.22584
     Eigenvalues ---    0.22584   0.22589   0.22589   0.22589   0.22903
     Eigenvalues ---    0.22916   0.22917   0.23403   0.23462   0.23479
     Eigenvalues ---    0.23548   0.23816   0.24003   0.24004   0.24369
     Eigenvalues ---    0.24387   0.24387   0.24387   0.24436   0.24437
     Eigenvalues ---    0.24604   0.24609   0.24624   0.24866   0.24867
     Eigenvalues ---    0.24892   0.24930   0.24930   0.24930   0.24981
     Eigenvalues ---    0.24990   0.24995   0.24997   0.24999   0.25000
     Eigenvalues ---    0.25000   0.25000   0.25000   0.25000   0.25000
     Eigenvalues ---    0.25000   0.25000   0.25000   0.25000   0.25000
     Eigenvalues ---    0.25035   0.33218   0.33243   0.33249   0.33252
     Eigenvalues ---    0.33254   0.33256   0.33257   0.33302   0.33383
     Eigenvalues ---    0.33390   0.33393   0.33397   0.33400   0.33401
     Eigenvalues ---    0.33560   0.33565   0.33569   0.33570   0.33573
     Eigenvalues ---    0.33578   0.33611   0.33614   0.33641   0.33643
     Eigenvalues ---    0.33646   0.33655   0.33674   0.33688   0.33704
     Eigenvalues ---    0.33711   0.33730   0.33810   0.33828   0.33830
     Eigenvalues ---    0.33833   0.33837   0.33843   0.33928   0.33929
     Eigenvalues ---    0.33931   0.33933   0.33937   0.33941   0.34987
     Eigenvalues ---    0.35006   0.42354   0.44047   0.44049   0.44051
     Eigenvalues ---    0.44788   0.45440   0.48104   0.48773   0.48774
     Eigenvalues ---    0.48823   0.48882   0.49030   0.49035   0.49059
     Eigenvalues ---    0.49089   0.49626   0.50281   0.50283   0.50285
     Eigenvalues ---    0.50288   0.50309   0.50311   0.50374   0.50382
     Eigenvalues ---    0.50406   0.50563   0.52301   0.52306   0.52356
     Eigenvalues ---    0.52603   0.52659   0.53942   0.54017   0.54025
     Eigenvalues ---    0.54036   0.54149   0.54152   0.54154   0.54358
     Eigenvalues ---    0.54489   0.54934   0.55190   0.55207   0.55316
     Eigenvalues ---    0.55323   0.55351   0.55370   0.55384   0.55412
     Eigenvalues ---    0.55431   0.55654   0.55743   0.55744   0.55750
     Eigenvalues ---    0.55879   0.55928   0.55932   0.56124   0.56127
     Eigenvalues ---    0.56127   0.56135   0.56203   0.56281   0.56286
     Eigenvalues ---    0.56396   0.56659   0.56661   0.56667   0.56668
     Eigenvalues ---    0.56674   0.56676   0.56780   0.56801   0.56830
     Eigenvalues ---    0.56883   0.56886   0.57159   0.57168   0.57170
     Eigenvalues ---    0.57170   0.57181   0.57182   0.59686   0.60741
     Eigenvalues ---    0.63781   0.65034   0.66091   0.66094   0.67571
     Eigenvalues ---    0.67579   0.67587   0.69686   0.70108   0.70131
     Eigenvalues ---    0.73788   0.76315
 RFO step:  Lambda=-4.48123350D-02 EMin= 2.02715856D-02
 Quartic linear search produced a step of  0.81910.
 Iteration  1 RMS(Cart)=  0.11279437 RMS(Int)=  0.00158159
 Iteration  2 RMS(Cart)=  0.00413480 RMS(Int)=  0.00008999
 Iteration  3 RMS(Cart)=  0.00000523 RMS(Int)=  0.00008995
 Iteration  4 RMS(Cart)=  0.00000000 RMS(Int)=  0.00008995
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        2.61965   0.01571   0.03522  -0.00268   0.03259   2.65225
    R2        2.63073   0.02240   0.04830  -0.00162   0.04671   2.67744
    R3        2.70162   0.03514   0.06848   0.01072   0.07919   2.78081
    R4        2.62394   0.01468   0.03414  -0.00391   0.03026   2.65420
    R5        2.05190  -0.00188  -0.00276  -0.00313  -0.00589   2.04601
    R6        2.64537   0.02223   0.05186  -0.00573   0.04611   2.69148
    R7        2.69211   0.03470   0.06559   0.01285   0.07842   2.77053
    R8        2.61822   0.01803   0.03954  -0.00230   0.03719   2.65541
    R9        2.67883   0.03079   0.06863  -0.00300   0.06564   2.74447
   R10        2.58634   0.01462   0.03063  -0.00098   0.02962   2.61596
   R11        2.06620  -0.00678  -0.01041  -0.01128  -0.02169   2.04451
   R12        2.06484  -0.00525  -0.00730  -0.00976  -0.01706   2.04777
   R13        2.65167   0.02333   0.05113  -0.00166   0.04941   2.70108
   R14        2.62064   0.01386   0.03230  -0.00399   0.02832   2.64896
   R15        2.65500   0.02640   0.05122   0.00604   0.05726   2.71226
   R16        2.62370   0.02106   0.04207   0.00257   0.04459   2.66830
   R17        2.65254   0.02710   0.05652  -0.00091   0.05557   2.70811
   R18        2.53438   0.01104   0.02818  -0.00979   0.01834   2.55271
   R19        2.48713   0.01842   0.04785  -0.01643   0.03142   2.51855
   R20        2.62250   0.01614   0.03788  -0.00509   0.03284   2.65534
   R21        2.05094  -0.00198  -0.00312  -0.00297  -0.00609   2.04485
   R22        2.62994   0.02274   0.04884  -0.00160   0.04729   2.67722
   R23        2.69846   0.03454   0.06696   0.01085   0.07780   2.77626
   R24        2.58230   0.01382   0.02814   0.00014   0.02828   2.61058
   R25        2.06463  -0.00558  -0.00763  -0.01057  -0.01820   2.04643
   R26        2.06684  -0.00544  -0.00654  -0.01167  -0.01821   2.04864
   R27        2.53886   0.02089   0.03871   0.00080   0.03951   2.57837
   R28        1.92680  -0.00570  -0.00835  -0.00748  -0.01583   1.91098
   R29        5.32208   0.00425   0.00452   0.04608   0.05062   5.37270
   R30        2.63398   0.02876   0.05859   0.00337   0.06202   2.69600
   R31        2.61234   0.02072   0.04154   0.00207   0.04360   2.65594
   R32        2.49870   0.03179   0.06051  -0.00408   0.05648   2.55518
   R33        2.62864   0.02021   0.04564  -0.00363   0.04204   2.67068
   R34        2.58376   0.01088   0.02570  -0.00461   0.02108   2.60483
   R35        2.07157  -0.00668  -0.00823  -0.01425  -0.02248   2.04909
   R36        2.64927   0.02584   0.05221   0.00230   0.05451   2.70378
   R37        2.06425  -0.00540  -0.00744  -0.01012  -0.01756   2.04669
   R38        2.61299   0.01089   0.03129  -0.01097   0.02034   2.63334
   R39        2.70007   0.03527   0.06913   0.00999   0.07913   2.77919
   R40        2.06318  -0.00547  -0.00828  -0.00915  -0.01742   2.04576
   R41        2.62564   0.01919   0.04183  -0.00194   0.03981   2.66544
   R42        2.62599   0.01933   0.04180  -0.00152   0.04020   2.66618
   R43        2.62616   0.01947   0.04210  -0.00153   0.04048   2.66664
   R44        2.62642   0.01957   0.04199  -0.00111   0.04080   2.66722
   R45        2.62534   0.01939   0.04217  -0.00187   0.04022   2.66555
   R46        2.62554   0.01953   0.04226  -0.00160   0.04057   2.66611
   R47        2.59606   0.01492   0.03051   0.00025   0.03075   2.62682
   R48        2.06531  -0.00543  -0.00764  -0.00994  -0.01759   2.04772
   R49        2.62667   0.01794   0.04331  -0.00693   0.03647   2.66314
   R50        2.06113  -0.00524  -0.00822  -0.00827  -0.01650   2.04463
   R51        2.62702   0.01814   0.04355  -0.00673   0.03692   2.66394
   R52        2.57517   0.03758   0.07522  -0.00488   0.07034   2.64551
   R53        2.59566   0.01486   0.03038   0.00025   0.03064   2.62629
   R54        2.06140  -0.00526  -0.00826  -0.00832  -0.01658   2.04482
   R55        2.06653  -0.00553  -0.00730  -0.01089  -0.01818   2.04835
   R56        2.59685   0.01513   0.03103   0.00014   0.03117   2.62802
   R57        2.06536  -0.00537  -0.00766  -0.00972  -0.01738   2.04797
   R58        2.62604   0.01777   0.04295  -0.00694   0.03610   2.66214
   R59        2.06119  -0.00518  -0.00813  -0.00818  -0.01631   2.04488
   R60        2.62644   0.01796   0.04318  -0.00670   0.03657   2.66300
   R61        2.57638   0.03804   0.07602  -0.00478   0.07124   2.64762
   R62        2.59648   0.01503   0.03081   0.00018   0.03099   2.62747
   R63        2.06129  -0.00517  -0.00815  -0.00811  -0.01626   2.04503
   R64        2.06652  -0.00546  -0.00728  -0.01064  -0.01793   2.04859
   R65        2.59669   0.01516   0.03092   0.00036   0.03128   2.62797
   R66        2.06547  -0.00541  -0.00747  -0.01016  -0.01763   2.04784
   R67        2.62596   0.01770   0.04274  -0.00686   0.03596   2.66192
   R68        2.06105  -0.00518  -0.00815  -0.00815  -0.01630   2.04475
   R69        2.62727   0.01813   0.04345  -0.00659   0.03695   2.66421
   R70        2.57573   0.03775   0.07560  -0.00493   0.07067   2.64640
   R71        2.59550   0.01470   0.03023   0.00002   0.03024   2.62575
   R72        2.06117  -0.00520  -0.00817  -0.00821  -0.01639   2.04478
   R73        2.06558  -0.00538  -0.00753  -0.00994  -0.01746   2.04811
   R74        2.58278   0.03919   0.07793  -0.00292   0.07503   2.65781
   R75        2.58277   0.03934   0.07792  -0.00259   0.07535   2.65812
   R76        2.58297   0.03957   0.07816  -0.00236   0.07582   2.65879
   R77        2.58329   0.03946   0.07818  -0.00258   0.07562   2.65891
   R78        2.58317   0.03942   0.07809  -0.00257   0.07554   2.65871
   R79        2.58277   0.03940   0.07803  -0.00258   0.07547   2.65823
   R80        2.63606   0.02292   0.05218  -0.00584   0.04648   2.68254
   R81        2.62123   0.01489   0.03967  -0.01021   0.02954   2.65076
   R82        2.65803   0.03854   0.07714   0.00132   0.07843   2.73646
   R83        2.60574   0.01852   0.04039  -0.00302   0.03743   2.64317
   R84        2.63610   0.02291   0.05226  -0.00597   0.04642   2.68252
   R85        2.60565   0.01857   0.04047  -0.00302   0.03751   2.64316
   R86        2.62130   0.01485   0.03969  -0.01033   0.02943   2.65074
   R87        2.63626   0.02297   0.05232  -0.00587   0.04658   2.68284
   R88        2.62151   0.01487   0.03975  -0.01036   0.02947   2.65098
   R89        2.65781   0.03852   0.07712   0.00133   0.07843   2.73623
   R90        2.60584   0.01855   0.04046  -0.00303   0.03749   2.64333
   R91        2.63613   0.02297   0.05226  -0.00575   0.04664   2.68277
   R92        2.60583   0.01857   0.04048  -0.00299   0.03755   2.64337
   R93        2.62148   0.01489   0.03970  -0.01025   0.02954   2.65101
   R94        2.63612   0.02291   0.05222  -0.00591   0.04644   2.68256
   R95        2.62133   0.01488   0.03971  -0.01029   0.02950   2.65083
   R96        2.65794   0.03855   0.07716   0.00133   0.07847   2.73640
   R97        2.60577   0.01855   0.04044  -0.00302   0.03748   2.64325
   R98        2.63613   0.02295   0.05226  -0.00584   0.04655   2.68268
   R99        2.60574   0.01855   0.04046  -0.00303   0.03750   2.64323
   R100       2.62140   0.01487   0.03967  -0.01028   0.02947   2.65087
   R101       2.59762   0.01775   0.03575   0.00066   0.03633   2.63395
   R102       2.06725  -0.00538  -0.00739  -0.01024  -0.01763   2.04962
   R103       2.61160   0.02168   0.04236   0.00299   0.04521   2.65681
   R104       2.06988  -0.00615  -0.00748  -0.01318  -0.02066   2.04921
   R105       2.60149   0.01681   0.03307   0.00221   0.03522   2.63671
   R106       2.07058  -0.00658  -0.00852  -0.01337  -0.02189   2.04869
   R107       2.06173  -0.00495  -0.00697  -0.00899  -0.01596   2.04576
   R108       2.60152   0.01677   0.03300   0.00222   0.03516   2.63667
   R109       2.06175  -0.00497  -0.00697  -0.00909  -0.01605   2.04569
   R110       2.61150   0.02171   0.04241   0.00298   0.04524   2.65674
   R111       2.07053  -0.00656  -0.00850  -0.01334  -0.02184   2.04869
   R112       2.59769   0.01772   0.03574   0.00060   0.03625   2.63394
   R113       2.06996  -0.00618  -0.00752  -0.01324  -0.02076   2.04920
   R114       2.06708  -0.00533  -0.00732  -0.01013  -0.01745   2.04963
   R115       2.59754   0.01773   0.03575   0.00058   0.03626   2.63379
   R116       2.06720  -0.00535  -0.00733  -0.01018  -0.01751   2.04969
   R117       2.61169   0.02174   0.04247   0.00299   0.04531   2.65700
   R118       2.06994  -0.00616  -0.00748  -0.01322  -0.02070   2.04925
   R119       2.60144   0.01676   0.03299   0.00217   0.03509   2.63653
   R120       2.07057  -0.00656  -0.00849  -0.01336  -0.02185   2.04872
   R121       2.06164  -0.00494  -0.00695  -0.00900  -0.01594   2.04570
   R122       2.60156   0.01677   0.03304   0.00214   0.03512   2.63668
   R123       2.06170  -0.00492  -0.00695  -0.00892  -0.01587   2.04583
   R124       2.61160   0.02174   0.04244   0.00303   0.04533   2.65693
   R125       2.07056  -0.00653  -0.00844  -0.01330  -0.02174   2.04882
   R126       2.59762   0.01774   0.03572   0.00065   0.03630   2.63391
   R127       2.06990  -0.00613  -0.00744  -0.01318  -0.02062   2.04928
   R128       2.06718  -0.00535  -0.00734  -0.01017  -0.01751   2.04967
   R129       2.59767   0.01774   0.03576   0.00062   0.03629   2.63396
   R130       2.06720  -0.00536  -0.00736  -0.01019  -0.01755   2.04964
   R131       2.61157   0.02170   0.04240   0.00298   0.04524   2.65682
   R132       2.06988  -0.00613  -0.00745  -0.01317  -0.02062   2.04926
   R133       2.60149   0.01678   0.03303   0.00220   0.03516   2.63665
   R134       2.07052  -0.00654  -0.00846  -0.01331  -0.02177   2.04875
   R135       2.06173  -0.00494  -0.00696  -0.00898  -0.01594   2.04579
   R136       2.60149   0.01676   0.03299   0.00218   0.03511   2.63660
   R137       2.06162  -0.00491  -0.00692  -0.00893  -0.01586   2.04576
   R138       2.61156   0.02174   0.04245   0.00302   0.04533   2.65689
   R139       2.07051  -0.00656  -0.00849  -0.01334  -0.02183   2.04868
   R140       2.59763   0.01773   0.03574   0.00061   0.03627   2.63389
   R141       2.06997  -0.00617  -0.00750  -0.01323  -0.02073   2.04924
   R142       2.06715  -0.00534  -0.00732  -0.01016  -0.01748   2.04966
   R143       5.49884  -0.00613  -0.00672  -0.09352  -0.10027   5.39857
    A1        1.98843   0.00978   0.00805   0.03825   0.04639   2.03482
    A2        2.15335  -0.00642  -0.00809  -0.02008  -0.02821   2.12514
    A3        2.14140  -0.00337   0.00004  -0.01817  -0.01817   2.12322
    A4        2.20688  -0.01007  -0.00959  -0.03862  -0.04813   2.15875
    A5        2.01953   0.00764   0.00797   0.03175   0.03968   2.05921
    A6        2.05651   0.00243   0.00163   0.00691   0.00849   2.06500
    A7        2.04227   0.00387   0.00493   0.01180   0.01674   2.05901
    A8        2.16201  -0.00563  -0.00661  -0.01858  -0.02517   2.13683
    A9        2.07885   0.00176   0.00168   0.00685   0.00849   2.08734
   A10        2.06130   0.00308   0.00009   0.01655   0.01656   2.07786
   A11        2.11106  -0.00091  -0.00242  -0.00153  -0.00393   2.10713
   A12        2.11082  -0.00217   0.00233  -0.01502  -0.01263   2.09819
   A13        2.13688  -0.00398  -0.00339  -0.01491  -0.01838   2.11850
   A14        2.12020  -0.00619  -0.00805  -0.03186  -0.03987   2.08034
   A15        2.02608   0.01017   0.01144   0.04677   0.05825   2.08433
   A16        2.13056  -0.00269  -0.00009  -0.01308  -0.01316   2.11740
   A17        2.14364  -0.00403  -0.00546  -0.02139  -0.02685   2.11679
   A18        2.00893   0.00672   0.00554   0.03446   0.04000   2.04893
   A19        2.09048   0.00074   0.00187   0.00107   0.00290   2.09338
   A20        2.14750  -0.00317  -0.00215  -0.01339  -0.01548   2.13202
   A21        2.04516   0.00242   0.00028   0.01230   0.01255   2.05771
   A22        2.10733  -0.00483  -0.00479  -0.01809  -0.02289   2.08444
   A23        2.04953   0.00412   0.00554   0.01370   0.01915   2.06868
   A24        2.12627   0.00071  -0.00075   0.00432   0.00363   2.12990
   A25        2.09284   0.00706   0.01007   0.02104   0.03111   2.12395
   A26        2.14193  -0.00680  -0.01160  -0.01051  -0.02205   2.11988
   A27        2.04839  -0.00027   0.00153  -0.01055  -0.00908   2.03931
   A28        2.08576  -0.00382  -0.00640  -0.00930  -0.01571   2.07005
   A29        2.08253  -0.00025   0.01127  -0.01796  -0.00668   2.07585
   A30        2.11443   0.00407  -0.00485   0.02732   0.02246   2.13688
   A31        2.21047  -0.00930  -0.00880  -0.03668  -0.04545   2.16503
   A32        2.05501   0.00153   0.00005   0.00469   0.00472   2.05973
   A33        2.01745   0.00776   0.00874   0.03191   0.04063   2.05808
   A34        1.98583   0.01067   0.01046   0.03779   0.04834   2.03416
   A35        2.15535  -0.00679  -0.00887  -0.02021  -0.02912   2.12623
   A36        2.14200  -0.00388  -0.00159  -0.01759  -0.01922   2.12278
   A37        2.12808  -0.00320  -0.00229  -0.01203  -0.01429   2.11379
   A38        2.14246  -0.00329  -0.00361  -0.01995  -0.02358   2.11888
   A39        2.01264   0.00649   0.00590   0.03199   0.03787   2.05051
   A40        2.14725  -0.00471  -0.00518  -0.01502  -0.02027   2.12698
   A41        2.14062  -0.00309  -0.00392  -0.01874  -0.02265   2.11797
   A42        1.99531   0.00779   0.00910   0.03374   0.04286   2.03817
   A43        2.12714   0.00589   0.01415   0.00489   0.01878   2.14592
   A44        2.11447  -0.00672  -0.01174  -0.01914  -0.03098   2.08349
   A45        1.66194   0.00173   0.00038   0.02525   0.02504   1.68698
   A46        2.03523   0.00094  -0.00218   0.01712   0.01490   2.05014
   A47        1.66818   0.00113   0.00069   0.02030   0.02048   1.68866
   A48        2.06971  -0.00554  -0.00833  -0.01458  -0.02285   2.04687
   A49        2.14797  -0.00013   0.00213  -0.00766  -0.00556   2.14241
   A50        2.06547   0.00566   0.00620   0.02225   0.02842   2.09390
   A51        2.09781   0.00337  -0.00113   0.02384   0.02282   2.12063
   A52        2.08358  -0.00340  -0.00691  -0.00487  -0.01180   2.07178
   A53        2.10168   0.00003   0.00803  -0.01900  -0.01106   2.09062
   A54        2.10792  -0.00751  -0.00134  -0.03053  -0.03176   2.07615
   A55        2.10457  -0.00447  -0.00427  -0.01537  -0.01968   2.08489
   A56        2.09821   0.00113   0.00092   0.00209   0.00301   2.10122
   A57        2.08040   0.00333   0.00334   0.01324   0.01657   2.09696
   A58        2.15397  -0.00180   0.00139  -0.01360  -0.01222   2.14175
   A59        1.99314   0.00694   0.00552   0.03809   0.04361   2.03675
   A60        2.13607  -0.00514  -0.00691  -0.02448  -0.03139   2.10468
   A61        1.99987   0.00916   0.00719   0.03338   0.04061   2.04048
   A62        2.13843  -0.00534  -0.00416  -0.01961  -0.02380   2.11463
   A63        2.14489  -0.00382  -0.00303  -0.01376  -0.01681   2.12808
   A64        2.15889  -0.00516  -0.00361  -0.02179  -0.02534   2.13355
   A65        1.99623   0.00347   0.00211   0.01692   0.01900   2.01523
   A66        2.12804   0.00168   0.00150   0.00486   0.00633   2.13437
   A67        2.15320  -0.00541  -0.00326  -0.02309  -0.02626   2.12694
   A68        2.16500  -0.00455  -0.00428  -0.01716  -0.02135   2.14365
   A69        1.96499   0.00996   0.00754   0.04026   0.04761   2.01260
   A70        2.15281  -0.00534  -0.00343  -0.02248  -0.02582   2.12699
   A71        2.16409  -0.00464  -0.00465  -0.01701  -0.02156   2.14252
   A72        1.96629   0.00998   0.00808   0.03948   0.04738   2.01367
   A73        2.15555  -0.00472  -0.00383  -0.01873  -0.02247   2.13308
   A74        2.15909  -0.00505  -0.00339  -0.02116  -0.02446   2.13463
   A75        1.96855   0.00977   0.00722   0.03989   0.04692   2.01547
   A76        2.15775  -0.00382  -0.00240  -0.01527  -0.01776   2.13999
   A77        2.12693  -0.00226  -0.00314  -0.01377  -0.01687   2.11006
   A78        1.99772   0.00608   0.00554   0.02918   0.03476   2.03248
   A79        2.16105  -0.00911  -0.00810  -0.03500  -0.04303   2.11802
   A80        2.00161   0.00923   0.00848   0.04318   0.05160   2.05321
   A81        2.11522  -0.00008  -0.00038  -0.00678  -0.00725   2.10797
   A82        1.96240   0.01592   0.01288   0.06126   0.07434   2.03674
   A83        2.16108  -0.00793  -0.00659  -0.03022  -0.03691   2.12417
   A84        2.15971  -0.00799  -0.00629  -0.03104  -0.03743   2.12227
   A85        2.16154  -0.00922  -0.00839  -0.03504  -0.04334   2.11820
   A86        2.11429  -0.00007  -0.00030  -0.00696  -0.00734   2.10695
   A87        2.00211   0.00933   0.00868   0.04342   0.05204   2.05414
   A88        2.15728  -0.00375  -0.00209  -0.01540  -0.01757   2.13972
   A89        2.13129  -0.00248  -0.00379  -0.01411  -0.01786   2.11343
   A90        1.99387   0.00624   0.00588   0.02965   0.03557   2.02944
   A91        2.15850  -0.00379  -0.00213  -0.01559  -0.01781   2.14069
   A92        2.12661  -0.00236  -0.00339  -0.01396  -0.01731   2.10930
   A93        1.99725   0.00615   0.00553   0.02975   0.03532   2.03257
   A94        2.16126  -0.00910  -0.00793  -0.03524  -0.04309   2.11817
   A95        2.00166   0.00921   0.00842   0.04312   0.05147   2.05313
   A96        2.11492  -0.00005  -0.00048  -0.00637  -0.00694   2.10798
   A97        1.96183   0.01586   0.01253   0.06161   0.07434   2.03617
   A98        2.16102  -0.00788  -0.00639  -0.03036  -0.03686   2.12416
   A99        2.16034  -0.00798  -0.00613  -0.03125  -0.03748   2.12285
   A100       2.16157  -0.00919  -0.00822  -0.03517  -0.04330   2.11827
   A101       2.11414  -0.00005  -0.00038  -0.00664  -0.00711   2.10703
   A102       2.00223   0.00928   0.00860   0.04318   0.05172   2.05395
   A103       2.15816  -0.00374  -0.00179  -0.01584  -0.01771   2.14045
   A104       2.13091  -0.00254  -0.00403  -0.01404  -0.01804   2.11287
   A105       1.99333   0.00628   0.00583   0.03000   0.03587   2.02920
   A106       2.15641  -0.00366  -0.00178  -0.01545  -0.01731   2.13910
   A107       2.12722  -0.00197  -0.00311  -0.01174  -0.01481   2.11241
   A108       1.99903   0.00563   0.00490   0.02729   0.03222   2.03126
   A109       2.16079  -0.00917  -0.00818  -0.03512  -0.04322   2.11756
   A110       2.00163   0.00932   0.00864   0.04339   0.05198   2.05361
   A111       2.11562  -0.00011  -0.00046  -0.00688  -0.00743   2.10819
   A112       1.96321   0.01582   0.01257   0.06125   0.07402   2.03723
   A113       2.16011  -0.00778  -0.00616  -0.03019  -0.03645   2.12366
   A114       2.15987  -0.00803  -0.00641  -0.03106  -0.03757   2.12229
   A115       2.16140  -0.00907  -0.00797  -0.03502  -0.04292   2.11848
   A116       2.11535  -0.00016  -0.00054  -0.00700  -0.00764   2.10772
   A117       2.00135   0.00928   0.00852   0.04348   0.05194   2.05330
   A118       2.15596  -0.00369  -0.00186  -0.01551  -0.01746   2.13850
   A119       2.12756  -0.00227  -0.00342  -0.01323  -0.01661   2.11095
   A120       1.99918   0.00596   0.00530   0.02888   0.03421   2.03339
   A121       2.20602  -0.00218  -0.00370  -0.00739  -0.01116   2.19487
   A122       2.20631  -0.00208  -0.00412  -0.00625  -0.01044   2.19588
   A123       1.87085   0.00426   0.00783   0.01364   0.02159   1.89244
   A124       2.20591  -0.00199  -0.00396  -0.00609  -0.01012   2.19580
   A125       2.20547  -0.00201  -0.00351  -0.00697  -0.01055   2.19492
   A126       1.87180   0.00400   0.00747   0.01306   0.02066   1.89246
   A127       2.20548  -0.00199  -0.00371  -0.00653  -0.01030   2.19519
   A128       2.20629  -0.00213  -0.00394  -0.00682  -0.01083   2.19546
   A129       1.87141   0.00413   0.00765   0.01335   0.02112   1.89253
   A130       1.91692  -0.00560  -0.00979  -0.01016  -0.01997   1.89695
   A131       2.33063  -0.00803  -0.00436  -0.03456  -0.03908   2.29155
   A132       2.03160   0.01362   0.01410   0.04505   0.05933   2.09093
   A133       1.85957   0.00359   0.00607   0.00362   0.00964   1.86921
   A134       2.15149  -0.01063  -0.01568  -0.02645  -0.04194   2.10955
   A135       2.27207   0.00704   0.00961   0.02283   0.03230   2.30437
   A136       1.85955   0.00360   0.00611   0.00359   0.00964   1.86919
   A137       2.27205   0.00703   0.00955   0.02293   0.03235   2.30440
   A138       2.15151  -0.01064  -0.01566  -0.02653  -0.04200   2.10952
   A139       1.91681  -0.00558  -0.00985  -0.01001  -0.01989   1.89693
   A140       2.33091  -0.00809  -0.00427  -0.03497  -0.03940   2.29150
   A141       2.03140   0.01366   0.01407   0.04531   0.05957   2.09097
   A142       1.91767  -0.00569  -0.01003  -0.01034  -0.02040   1.89727
   A143       2.33045  -0.00799  -0.00408  -0.03472  -0.03897   2.29148
   A144       2.03100   0.01368   0.01406   0.04541   0.05967   2.09067
   A145       1.85921   0.00359   0.00611   0.00363   0.00969   1.86889
   A146       2.15171  -0.01068  -0.01570  -0.02671  -0.04222   2.10949
   A147       2.27221   0.00709   0.00959   0.02308   0.03252   2.30473
   A148       1.85917   0.00360   0.00612   0.00372   0.00979   1.86896
   A149       2.27228   0.00706   0.00960   0.02285   0.03231   2.30459
   A150       2.15167  -0.01066  -0.01572  -0.02658  -0.04211   2.10956
   A151       1.91776  -0.00574  -0.01001  -0.01055  -0.02059   1.89717
   A152       2.33017  -0.00794  -0.00420  -0.03433  -0.03869   2.29147
   A153       2.03123   0.01367   0.01416   0.04523   0.05958   2.09081
   A154       1.91714  -0.00565  -0.00990  -0.01026  -0.02019   1.89696
   A155       2.33048  -0.00804  -0.00427  -0.03470  -0.03913   2.29135
   A156       2.03147   0.01368   0.01412   0.04531   0.05963   2.09109
   A157       1.85943   0.00359   0.00608   0.00365   0.00968   1.86911
   A158       2.15156  -0.01065  -0.01569  -0.02658  -0.04208   2.10947
   A159       2.27213   0.00706   0.00961   0.02293   0.03240   2.30453
   A160       1.85937   0.00360   0.00612   0.00366   0.00973   1.86910
   A161       2.27217   0.00707   0.00961   0.02293   0.03240   2.30457
   A162       2.15158  -0.01067  -0.01573  -0.02660  -0.04213   2.10945
   A163       1.91730  -0.00567  -0.00993  -0.01030  -0.02025   1.89704
   A164       2.33048  -0.00800  -0.00423  -0.03458  -0.03897   2.29151
   A165       2.03139   0.01366   0.01411   0.04521   0.05951   2.09090
   A166       2.07171   0.00177   0.00443   0.00135   0.00578   2.07749
   A167       2.11893  -0.00358  -0.00557  -0.01325  -0.01882   2.10011
   A168       2.09243   0.00181   0.00114   0.01192   0.01306   2.10549
   A169       2.08304   0.00220   0.00321   0.00732   0.01030   2.09334
   A170       2.09930  -0.00089  -0.00138  -0.00246  -0.00376   2.09554
   A171       2.10002  -0.00128  -0.00180  -0.00448  -0.00619   2.09383
   A172       2.11719   0.00154   0.00267   0.00521   0.00766   2.12485
   A173       2.08058   0.00130   0.00163   0.00639   0.00809   2.08867
   A174       2.08491  -0.00282  -0.00426  -0.01127  -0.01546   2.06945
   A175       2.10790  -0.00851  -0.00872  -0.03193  -0.04062   2.06728
   A176       2.15946  -0.00157  -0.00100  -0.01536  -0.01639   2.14307
   A177       2.01441   0.01010   0.00973   0.04770   0.05741   2.07182
   A178       2.10777  -0.00849  -0.00871  -0.03178  -0.04047   2.06730
   A179       2.15917  -0.00153  -0.00098  -0.01514  -0.01615   2.14302
   A180       2.01484   0.01005   0.00970   0.04738   0.05706   2.07190
   A181       2.11720   0.00154   0.00264   0.00524   0.00767   2.12487
   A182       2.08494  -0.00282  -0.00426  -0.01128  -0.01547   2.06947
   A183       2.08055   0.00130   0.00165   0.00637   0.00809   2.08865
   A184       2.08320   0.00217   0.00319   0.00720   0.01015   2.09335
   A185       2.10001  -0.00127  -0.00179  -0.00443  -0.00614   2.09387
   A186       2.09917  -0.00087  -0.00136  -0.00237  -0.00365   2.09552
   A187       2.07154   0.00181   0.00447   0.00148   0.00593   2.07747
   A188       2.11887  -0.00358  -0.00557  -0.01321  -0.01877   2.10010
   A189       2.09267   0.00177   0.00110   0.01176   0.01286   2.10553
   A190       2.07166   0.00179   0.00445   0.00144   0.00587   2.07753
   A191       2.11880  -0.00357  -0.00556  -0.01319  -0.01875   2.10005
   A192       2.09262   0.00179   0.00112   0.01178   0.01290   2.10552
   A193       2.08298   0.00219   0.00321   0.00729   0.01027   2.09325
   A194       2.09931  -0.00088  -0.00138  -0.00243  -0.00372   2.09558
   A195       2.10008  -0.00128  -0.00180  -0.00447  -0.00618   2.09390
   A196       2.11730   0.00156   0.00267   0.00527   0.00773   2.12502
   A197       2.08057   0.00129   0.00163   0.00634   0.00804   2.08861
   A198       2.08483  -0.00283  -0.00428  -0.01127  -0.01548   2.06935
   A199       2.10793  -0.00853  -0.00876  -0.03190  -0.04064   2.06729
   A200       2.15904  -0.00154  -0.00099  -0.01520  -0.01622   2.14282
   A201       2.01481   0.01009   0.00976   0.04755   0.05729   2.07209
   A202       2.10819  -0.00852  -0.00873  -0.03195  -0.04065   2.06753
   A203       2.15921  -0.00163  -0.00107  -0.01563  -0.01673   2.14249
   A204       2.01438   0.01017   0.00980   0.04803   0.05781   2.07219
   A205       2.11713   0.00156   0.00270   0.00524   0.00773   2.12486
   A206       2.08486  -0.00280  -0.00425  -0.01116  -0.01533   2.06952
   A207       2.08069   0.00126   0.00158   0.00625   0.00790   2.08860
   A208       2.08302   0.00216   0.00315   0.00725   0.01017   2.09319
   A209       2.10001  -0.00126  -0.00175  -0.00441  -0.00608   2.09394
   A210       2.09933  -0.00088  -0.00137  -0.00245  -0.00373   2.09560
   A211       2.07170   0.00182   0.00451   0.00150   0.00601   2.07771
   A212       2.11882  -0.00360  -0.00560  -0.01327  -0.01887   2.09995
   A213       2.09255   0.00178   0.00109   0.01179   0.01289   2.10544
   A214       2.07161   0.00182   0.00449   0.00151   0.00599   2.07761
   A215       2.11889  -0.00360  -0.00560  -0.01328  -0.01888   2.10001
   A216       2.09258   0.00178   0.00110   0.01180   0.01290   2.10548
   A217       2.08311   0.00217   0.00318   0.00724   0.01019   2.09330
   A218       2.09914  -0.00086  -0.00135  -0.00235  -0.00361   2.09553
   A219       2.10012  -0.00128  -0.00180  -0.00449  -0.00621   2.09391
   A220       2.11720   0.00154   0.00265   0.00521   0.00765   2.12485
   A221       2.08062   0.00129   0.00163   0.00634   0.00804   2.08866
   A222       2.08488  -0.00281  -0.00425  -0.01121  -0.01539   2.06949
   A223       2.10790  -0.00849  -0.00870  -0.03183  -0.04051   2.06739
   A224       2.15904  -0.00156  -0.00101  -0.01523  -0.01627   2.14278
   A225       2.01483   0.01007   0.00971   0.04753   0.05722   2.07205
   A226       2.10779  -0.00853  -0.00874  -0.03195  -0.04067   2.06712
   A227       2.15919  -0.00152  -0.00096  -0.01514  -0.01612   2.14307
   A228       2.01478   0.01007   0.00970   0.04753   0.05721   2.07199
   A229       2.11724   0.00155   0.00267   0.00526   0.00771   2.12495
   A230       2.08476  -0.00282  -0.00427  -0.01128  -0.01548   2.06928
   A231       2.08067   0.00130   0.00164   0.00636   0.00807   2.08874
   A232       2.08316   0.00218   0.00318   0.00726   0.01022   2.09338
   A233       2.09996  -0.00127  -0.00178  -0.00444  -0.00614   2.09383
   A234       2.09924  -0.00088  -0.00138  -0.00244  -0.00372   2.09551
   A235       2.07154   0.00180   0.00446   0.00144   0.00589   2.07742
   A236       2.11898  -0.00359  -0.00559  -0.01328  -0.01886   2.10012
   A237       2.09256   0.00180   0.00112   0.01186   0.01299   2.10554
    D1       -0.00580   0.00011   0.00016   0.00138   0.00152  -0.00428
    D2        3.11058   0.00018   0.00016   0.00349   0.00361   3.11419
    D3        3.13897   0.00003  -0.00002   0.00033   0.00030   3.13926
    D4       -0.02784   0.00010  -0.00002   0.00244   0.00239  -0.02545
    D5       -0.00121  -0.00004  -0.00007  -0.00071  -0.00078  -0.00199
    D6        3.12892  -0.00011  -0.00024  -0.00141  -0.00164   3.12728
    D7        3.13724   0.00003   0.00009   0.00033   0.00041   3.13765
    D8       -0.01582  -0.00004  -0.00009  -0.00038  -0.00044  -0.01626
    D9        3.05551  -0.00089  -0.00133  -0.01271  -0.01407   3.04144
   D10       -0.08704  -0.00088  -0.00133  -0.01265  -0.01400  -0.10104
   D11       -0.08264  -0.00100  -0.00153  -0.01395  -0.01546  -0.09810
   D12        3.05800  -0.00099  -0.00153  -0.01389  -0.01540   3.04260
   D13        0.01044  -0.00010  -0.00012  -0.00105  -0.00116   0.00927
   D14        3.14008   0.00037   0.00051   0.00578   0.00617  -3.13694
   D15       -3.10547  -0.00022  -0.00020  -0.00349  -0.00366  -3.10913
   D16        0.02417   0.00025   0.00043   0.00333   0.00367   0.02784
   D17       -0.00779  -0.00004  -0.00006  -0.00018  -0.00018  -0.00798
   D18        3.13120  -0.00008  -0.00003  -0.00082  -0.00082   3.13039
   D19       -3.13803  -0.00043  -0.00060  -0.00648  -0.00706   3.13810
   D20        0.00097  -0.00047  -0.00057  -0.00712  -0.00769  -0.00672
   D21       -3.12301  -0.00012  -0.00017  -0.00159  -0.00168  -3.12469
   D22        0.02868   0.00002  -0.00001   0.00057   0.00051   0.02920
   D23        0.00639   0.00037   0.00049   0.00540   0.00581   0.01221
   D24       -3.12510   0.00051   0.00065   0.00756   0.00801  -3.11709
   D25        0.00166   0.00003   0.00008   0.00050   0.00053   0.00219
   D26       -3.13376  -0.00002   0.00003  -0.00019  -0.00017  -3.13393
   D27       -3.13734   0.00006   0.00005   0.00111   0.00115  -3.13619
   D28        0.01043   0.00002   0.00001   0.00043   0.00045   0.01088
   D29       -0.00398   0.00001   0.00003  -0.00042  -0.00026  -0.00423
   D30       -3.11304  -0.00019  -0.00034  -0.00312  -0.00332  -3.11636
   D31        3.13494  -0.00002   0.00006  -0.00103  -0.00085   3.13409
   D32        0.02588  -0.00022  -0.00031  -0.00373  -0.00392   0.02196
   D33        0.00311  -0.00001  -0.00005  -0.00011  -0.00015   0.00295
   D34       -3.12784   0.00011   0.00018   0.00086   0.00107  -3.12678
   D35        3.13884  -0.00002  -0.00006   0.00029   0.00022   3.13906
   D36        0.00788   0.00010   0.00017   0.00126   0.00144   0.00933
   D37       -0.01085   0.00025   0.00018   0.00410   0.00430  -0.00655
   D38        3.14144   0.00078   0.00085   0.01186   0.01274  -3.12901
   D39        3.12122   0.00009   0.00002   0.00193   0.00204   3.12326
   D40       -0.00968   0.00061   0.00069   0.00969   0.01048   0.00080
   D41       -3.14072  -0.00058  -0.00067  -0.00832  -0.00879   3.13368
   D42        0.02606  -0.00032  -0.00028  -0.00482  -0.00503   0.02103
   D43        0.01073  -0.00043  -0.00053  -0.00616  -0.00659   0.00414
   D44       -3.10568  -0.00017  -0.00013  -0.00266  -0.00283  -3.10851
   D45        0.00783  -0.00071  -0.00072  -0.01169  -0.01252  -0.00469
   D46       -3.12618  -0.00036  -0.00013  -0.00914  -0.00933  -3.13551
   D47        3.13825  -0.00123  -0.00138  -0.01974  -0.02118   3.11707
   D48        0.00424  -0.00089  -0.00079  -0.01719  -0.01799  -0.01375
   D49        0.00350  -0.00054  -0.00058  -0.00790  -0.00842  -0.00492
   D50       -3.14123  -0.00115  -0.00132  -0.01746  -0.01864   3.12331
   D51       -3.12728   0.00003   0.00012   0.00009   0.00043  -3.12685
   D52        0.01118  -0.00058  -0.00062  -0.00946  -0.00980   0.00138
   D53       -0.00039   0.00057   0.00061   0.00980   0.01050   0.01010
   D54        3.10806   0.00069   0.00129   0.01167   0.01309   3.12115
   D55        3.13402   0.00022   0.00000   0.00737   0.00738   3.14140
   D56       -0.04072   0.00034   0.00068   0.00924   0.00997  -0.03074
   D57       -3.12356   0.00016  -0.00009  -0.00554  -0.00533  -3.12890
   D58       -0.10688   0.00131   0.00208   0.02377   0.02552  -0.08136
   D59        1.41616  -0.00349  -0.00394  -0.04712  -0.05114   1.36502
   D60        0.02543   0.00047   0.00046  -0.00318  -0.00246   0.02297
   D61        3.04211   0.00161   0.00262   0.02613   0.02839   3.07050
   D62       -1.71804  -0.00319  -0.00340  -0.04476  -0.04827  -1.76630
   D63       -3.12811  -0.00102  -0.00096  -0.00970  -0.01057  -3.13869
   D64        0.04656  -0.00107  -0.00131  -0.01172  -0.01301   0.03355
   D65       -0.00434  -0.00002   0.00002  -0.00047  -0.00049  -0.00483
   D66        3.14066   0.00012   0.00013   0.00163   0.00174  -3.14079
   D67        3.11255  -0.00035  -0.00047  -0.00423  -0.00470   3.10784
   D68       -0.02565  -0.00021  -0.00036  -0.00213  -0.00247  -0.02811
   D69       -0.00276   0.00020   0.00019   0.00315   0.00332   0.00056
   D70        3.13227   0.00037   0.00032   0.00589   0.00625   3.13851
   D71        3.13546   0.00006   0.00006   0.00106   0.00107   3.13653
   D72       -0.01270   0.00023   0.00020   0.00380   0.00399  -0.00870
   D73        3.06230  -0.00098  -0.00141  -0.01431  -0.01568   3.04662
   D74       -0.08003  -0.00095  -0.00136  -0.01394  -0.01527  -0.09530
   D75       -0.07560  -0.00086  -0.00131  -0.01213  -0.01346  -0.08906
   D76        3.06527  -0.00083  -0.00126  -0.01176  -0.01305   3.05221
   D77        0.00306   0.00008   0.00008   0.00110   0.00119   0.00426
   D78       -3.13563   0.00066   0.00078   0.01001   0.01107  -3.12455
   D79       -3.13242  -0.00005  -0.00001  -0.00128  -0.00141  -3.13383
   D80        0.01207   0.00053   0.00068   0.00763   0.00847   0.02054
   D81       -0.01582  -0.00084  -0.00076  -0.00171  -0.00259  -0.01842
   D82        3.13344  -0.00093  -0.00086  -0.00419  -0.00512   3.12832
   D83       -3.03788  -0.00139  -0.00209  -0.02733  -0.02977  -3.06764
   D84        0.11139  -0.00148  -0.00218  -0.02980  -0.03229   0.07910
   D85        1.72422   0.00317   0.00298   0.04262   0.04574   1.76996
   D86       -1.40971   0.00308   0.00288   0.04015   0.04322  -1.36649
   D87        0.02002   0.00029   0.00009   0.00040   0.00041   0.02043
   D88       -3.13788   0.00001   0.00000  -0.00218  -0.00221  -3.14009
   D89       -3.12887   0.00036   0.00017   0.00263   0.00272  -3.12616
   D90       -0.00359   0.00007   0.00008   0.00005   0.00010  -0.00349
   D91        3.13358   0.00003  -0.00002   0.00312   0.00318   3.13676
   D92       -0.00399   0.00084   0.00100   0.01401   0.01503   0.01104
   D93       -0.00036  -0.00002  -0.00006   0.00081   0.00081   0.00045
   D94       -3.13793   0.00079   0.00096   0.01170   0.01266  -3.12527
   D95       -0.03582   0.00068   0.00073   0.00689   0.00759  -0.02823
   D96        3.12225   0.00100   0.00096   0.00935   0.01024   3.13249
   D97        0.00735  -0.00010  -0.00007  -0.00101  -0.00108   0.00627
   D98       -3.14015  -0.00019  -0.00028  -0.00272  -0.00301   3.14003
   D99        3.13260  -0.00036  -0.00024  -0.00318  -0.00333   3.12927
   D100      -0.01490  -0.00045  -0.00045  -0.00489  -0.00525  -0.02016
   D101       0.00103  -0.00003   0.00000  -0.00095  -0.00095   0.00008
   D102       3.13930   0.00029   0.00038   0.00384   0.00432  -3.13957
   D103       3.13864  -0.00084  -0.00101  -0.01175  -0.01280   3.12584
   D104      -0.00628  -0.00051  -0.00063  -0.00696  -0.00753  -0.01381
   D105       0.00223   0.00005   0.00006   0.00020   0.00022   0.00245
   D106      -3.14046   0.00012   0.00017   0.00155   0.00171  -3.13876
   D107      -3.13577  -0.00032  -0.00038  -0.00509  -0.00539  -3.14116
   D108       0.00472  -0.00026  -0.00026  -0.00373  -0.00391   0.00081
   D109      -0.00645   0.00001  -0.00004   0.00077   0.00078  -0.00566
   D110       3.14148   0.00010   0.00019   0.00257   0.00281  -3.13889
   D111       3.13625  -0.00006  -0.00015  -0.00058  -0.00071   3.13554
   D112       0.00100   0.00004   0.00007   0.00122   0.00132   0.00231
   D113       0.03278   0.00041   0.00062   0.00560   0.00623   0.03901
   D114      -3.10986   0.00043   0.00064   0.00589   0.00654  -3.10332
   D115      -3.11001   0.00049   0.00075   0.00709   0.00783  -3.10218
   D116       0.03054   0.00051   0.00077   0.00739   0.00814   0.03868
   D117       3.14075  -0.00001  -0.00014   0.00104   0.00096  -3.14148
   D118      -0.04694   0.00043   0.00034   0.00747   0.00782  -0.03912
   D119       0.00001  -0.00001  -0.00013   0.00101   0.00093   0.00094
   D120       3.09551   0.00043   0.00035   0.00743   0.00779   3.10330
   D121       3.13416   0.00004  -0.00004   0.00165   0.00165   3.13581
   D122      -0.05247   0.00031   0.00021   0.00570   0.00594  -0.04654
   D123      -0.00830   0.00004  -0.00005   0.00168   0.00168  -0.00662
   D124       3.08826   0.00031   0.00020   0.00573   0.00596   3.09422
   D125       3.13998  -0.00001  -0.00011   0.00100   0.00094   3.14092
   D126      -0.04646   0.00030   0.00020   0.00554   0.00577  -0.04070
   D127      -0.00096  -0.00003  -0.00015   0.00069   0.00059  -0.00038
   D128       3.09578   0.00028   0.00016   0.00523   0.00541   3.10120
   D129       3.13463   0.00002  -0.00009   0.00154   0.00149   3.13612
   D130      -0.05094   0.00036   0.00026   0.00646   0.00674  -0.04420
   D131      -0.00762   0.00004  -0.00005   0.00185   0.00185  -0.00578
   D132       3.08999   0.00039   0.00030   0.00677   0.00709   3.09709
   D133      -3.13801  -0.00000   0.00009  -0.00124  -0.00120  -3.13921
   D134       0.04024  -0.00029  -0.00022  -0.00533  -0.00558   0.03466
   D135       0.00452  -0.00002   0.00007  -0.00147  -0.00145   0.00307
   D136      -3.10041  -0.00030  -0.00023  -0.00556  -0.00583  -3.10624
   D137      -3.13566  -0.00003   0.00009  -0.00181  -0.00179  -3.13744
   D138       0.04149  -0.00043  -0.00038  -0.00753  -0.00793   0.03357
   D139       0.00499  -0.00002   0.00010  -0.00157  -0.00153   0.00346
   D140      -3.10104  -0.00042  -0.00036  -0.00729  -0.00767  -3.10871
   D141       0.00866  -0.00009   0.00014  -0.00297  -0.00283   0.00584
   D142       3.04054   0.00043   0.00019   0.01136   0.01173   3.05228
   D143      -3.09109  -0.00020   0.00004  -0.00629  -0.00631  -3.09740
   D144      -0.05921   0.00031   0.00009   0.00804   0.00824  -0.05096
   D145      -0.00697   0.00006  -0.00005   0.00199   0.00195  -0.00502
   D146       3.13616   0.00006  -0.00004   0.00180   0.00178   3.13793
   D147      -3.03200  -0.00099  -0.00058  -0.01605  -0.01649  -3.04849
   D148       0.11113  -0.00099  -0.00057  -0.01624  -0.01666   0.09447
   D149      -0.00164  -0.00001  -0.00010   0.00072   0.00063  -0.00101
   D150      -3.02745  -0.00108  -0.00065  -0.01773  -0.01824  -3.04570
   D151       3.13841  -0.00001  -0.00012   0.00091   0.00081   3.13922
   D152       0.11260  -0.00108  -0.00067  -0.01754  -0.01806   0.09454
   D153       0.43818   0.00486   0.00904   0.05603   0.06507   0.50324
   D154      -2.70077   0.00481   0.00898   0.05554   0.06452  -2.63625
   D155      -2.70171   0.00484   0.00904   0.05574   0.06478  -2.63692
   D156       0.44254   0.00479   0.00898   0.05525   0.06424   0.50677
   D157       0.00939  -0.00009   0.00012  -0.00288  -0.00277   0.00662
   D158      -3.09135  -0.00022  -0.00000  -0.00655  -0.00663  -3.09798
   D159       3.04192   0.00045   0.00019   0.01184   0.01221   3.05413
   D160      -0.05882   0.00032   0.00006   0.00817   0.00835  -0.05048
   D161       0.00802  -0.00010   0.00012  -0.00313  -0.00301   0.00501
   D162       3.03954   0.00050   0.00027   0.01236   0.01283   3.05238
   D163      -3.09057  -0.00033  -0.00013  -0.00817  -0.00839  -3.09896
   D164      -0.05904   0.00027   0.00002   0.00732   0.00745  -0.05159
   D165      -0.00704   0.00006  -0.00004   0.00186   0.00182  -0.00522
   D166       3.13538   0.00006  -0.00001   0.00180   0.00180   3.13718
   D167      -3.03172  -0.00108  -0.00069  -0.01739  -0.01793  -3.04965
   D168       0.11070  -0.00107  -0.00066  -0.01744  -0.01795   0.09275
   D169      -0.00127   0.00001  -0.00009   0.00099   0.00093  -0.00034
   D170      -3.02716  -0.00103  -0.00057  -0.01689  -0.01732  -3.04448
   D171       3.13950   0.00000  -0.00012   0.00105   0.00095   3.14045
   D172       0.11361  -0.00103  -0.00060  -0.01684  -0.01730   0.09631
   D173      -2.70153   0.00488   0.00913   0.05627   0.06539  -2.63614
   D174       0.43917   0.00489   0.00911   0.05637   0.06548   0.50465
   D175       0.44098   0.00488   0.00915   0.05616   0.06532   0.50630
   D176      -2.70150   0.00488   0.00914   0.05626   0.06540  -2.63610
   D177       0.00941  -0.00010   0.00010  -0.00302  -0.00292   0.00649
   D178      -3.09034  -0.00017   0.00008  -0.00585  -0.00583  -3.09617
   D179       3.04200   0.00041   0.00010   0.01121   0.01149   3.05349
   D180      -0.05776   0.00033   0.00009   0.00838   0.00858  -0.04917
   D181      -0.01020   0.00012  -0.00010   0.00351   0.00341  -0.00679
   D182      -3.04382  -0.00041  -0.00015  -0.01101  -0.01135  -3.05517
   D183       3.09717   0.00025   0.00005   0.00665   0.00676   3.10393
   D184       0.06355  -0.00028  -0.00001  -0.00787  -0.00800   0.05555
   D185       0.00538  -0.00004   0.00008  -0.00170  -0.00164   0.00374
   D186      -3.13641  -0.00006   0.00005  -0.00192  -0.00189  -3.13830
   D187       3.03222   0.00103   0.00062   0.01652   0.01699   3.04922
   D188      -0.10956   0.00101   0.00059   0.01630   0.01674  -0.09283
   D189       0.00418  -0.00004   0.00004  -0.00154  -0.00151   0.00267
   D190       3.03179   0.00109   0.00068   0.01759   0.01811   3.04989
   D191      -3.13722  -0.00002   0.00007  -0.00131  -0.00125  -3.13847
   D192      -0.10961   0.00111   0.00071   0.01781   0.01836  -0.09125
   D193       2.69932  -0.00479  -0.00899  -0.05511  -0.06411   2.63521
   D194      -0.44113  -0.00482  -0.00903  -0.05539  -0.06442  -0.50555
   D195      -0.44249  -0.00481  -0.00902  -0.05535  -0.06437  -0.50686
   D196       2.70024  -0.00484  -0.00906  -0.05563  -0.06468   2.63556
   D197      -0.00980   0.00012  -0.00010   0.00345   0.00336  -0.00644
   D198       3.09861   0.00035   0.00018   0.00809   0.00835   3.10696
   D199      -3.04413  -0.00048  -0.00024  -0.01193  -0.01237  -3.05650
   D200       0.06428  -0.00024   0.00004  -0.00729  -0.00738   0.05690
   D201      -3.13738  -0.00018  -0.00014  -0.00210  -0.00224  -3.13961
   D202       0.10753  -0.00092  -0.00022  -0.00960  -0.00982   0.09770
   D203       0.00497  -0.00018  -0.00013  -0.00218  -0.00230   0.00267
   D204      -3.03331  -0.00092  -0.00020  -0.00967  -0.00989  -3.04320
   D205      -3.13620  -0.00016  -0.00013  -0.00183  -0.00195  -3.13815
   D206       0.10830  -0.00090  -0.00022  -0.00928  -0.00951   0.09879
   D207       0.00464  -0.00016  -0.00014  -0.00175  -0.00189   0.00275
   D208      -3.03404  -0.00089  -0.00023  -0.00920  -0.00944  -3.04349
   D209      -3.13537  -0.00020  -0.00019  -0.00239  -0.00258  -3.13795
   D210       0.10914  -0.00092  -0.00027  -0.00961  -0.00989   0.09925
   D211       0.00398  -0.00017  -0.00015  -0.00199  -0.00214   0.00184
   D212      -3.03468  -0.00089  -0.00023  -0.00921  -0.00946  -3.04414
   D213      -3.13826  -0.00014  -0.00009  -0.00158  -0.00167  -3.13993
   D214       0.10670  -0.00087  -0.00016  -0.00884  -0.00902   0.09769
   D215       0.00556  -0.00017  -0.00013  -0.00198  -0.00210   0.00346
   D216      -3.03266  -0.00090  -0.00020  -0.00923  -0.00945  -3.04211
   D217       3.13725   0.00014   0.00009   0.00157   0.00166   3.13891
   D218      -0.10799   0.00089   0.00019   0.00909   0.00929  -0.09870
   D219      -0.00530   0.00016   0.00012   0.00179   0.00191  -0.00339
   D220       3.03265   0.00090   0.00022   0.00931   0.00954   3.04219
   D221       3.13631   0.00020   0.00018   0.00244   0.00262   3.13893
   D222      -0.10810   0.00093   0.00026   0.00972   0.01000  -0.09811
   D223      -0.00432   0.00018   0.00015   0.00221   0.00237  -0.00195
   D224       3.03445   0.00091   0.00023   0.00950   0.00974   3.04419
   D225      -0.01176   0.00047   0.00041   0.00510   0.00547  -0.00629
   D226       3.14008   0.00052   0.00053   0.00550   0.00594  -3.13716
   D227       3.04658  -0.00015  -0.00044   0.00633   0.00598   3.05256
   D228      -0.08476  -0.00010  -0.00032   0.00673   0.00645  -0.07831
   D229       3.11856  -0.00037  -0.00098  -0.00476  -0.00575   3.11281
   D230       0.03660  -0.00115  -0.00148  -0.01619  -0.01758   0.01902
   D231       0.08508  -0.00018   0.00006  -0.00952  -0.00947   0.07561
   D232      -2.99688  -0.00095  -0.00044  -0.02096  -0.02130  -3.01818
   D233       0.01467  -0.00044  -0.00028  -0.00598  -0.00637   0.00829
   D234      -3.13909  -0.00066  -0.00062  -0.00692  -0.00763   3.13646
   D235      -3.13814  -0.00064  -0.00061  -0.00683  -0.00754   3.13750
   D236      -0.00872  -0.00086  -0.00095  -0.00777  -0.00880  -0.01752
   D237       0.02837  -0.00013   0.00001  -0.00223  -0.00211   0.02626
   D238      -3.12893  -0.00007   0.00002  -0.00040  -0.00033  -3.12926
   D239      -3.10036  -0.00000   0.00023  -0.00149  -0.00118  -3.10154
   D240       0.02552   0.00006   0.00025   0.00034   0.00060   0.02612
   D241      -0.01274   0.00046   0.00040   0.00510   0.00546  -0.00728
   D242       3.04527  -0.00016  -0.00045   0.00629   0.00594   3.05121
   D243       3.13997   0.00052   0.00051   0.00554   0.00596  -3.13725
   D244      -0.08520  -0.00011  -0.00034   0.00673   0.00644  -0.07877
   D245      -3.09916   0.00001   0.00025  -0.00130  -0.00098  -3.10014
   D246       0.02609   0.00006   0.00024   0.00022   0.00047   0.02656
   D247       0.02848  -0.00012   0.00002  -0.00211  -0.00198   0.02650
   D248      -3.12945  -0.00008   0.00001  -0.00059  -0.00053  -3.12998
   D249       3.11869  -0.00038  -0.00100  -0.00497  -0.00598   3.11271
   D250       0.03685  -0.00109  -0.00141  -0.01538  -0.01671   0.02014
   D251       0.08567  -0.00019   0.00005  -0.00975  -0.00970   0.07597
   D252      -2.99616  -0.00090  -0.00035  -0.02016  -0.02044  -3.01660
   D253      -0.01242   0.00046   0.00039   0.00518   0.00553  -0.00689
   D254       3.13994   0.00051   0.00050   0.00551   0.00592  -3.13732
   D255       3.04561  -0.00014  -0.00044   0.00658   0.00624   3.05186
   D256      -0.08521  -0.00009  -0.00033   0.00692   0.00664  -0.07857
   D257       3.11880  -0.00038  -0.00101  -0.00482  -0.00584   3.11295
   D258       0.03682  -0.00113  -0.00146  -0.01588  -0.01726   0.01957
   D259       0.08567  -0.00019   0.00005  -0.00984  -0.00980   0.07586
   D260      -2.99630  -0.00094  -0.00040  -0.02090  -0.02122  -3.01752
   D261       0.01474  -0.00043  -0.00026  -0.00591  -0.00628   0.00846
   D262      -3.13837  -0.00064  -0.00060  -0.00681  -0.00750   3.13731
   D263      -3.13864  -0.00064  -0.00060  -0.00671  -0.00740   3.13714
   D264      -0.00857  -0.00085  -0.00094  -0.00761  -0.00862  -0.01719
   D265       0.02846  -0.00013   0.00002  -0.00222  -0.00209   0.02636
   D266      -3.12921  -0.00007   0.00002  -0.00044  -0.00037  -3.12957
   D267      -3.09962  -0.00000   0.00024  -0.00155  -0.00124  -3.10085
   D268       0.02590   0.00006   0.00025   0.00023   0.00049   0.02639
   D269      -0.01222   0.00045   0.00040   0.00491   0.00527  -0.00695
   D270       3.04611  -0.00015  -0.00043   0.00634   0.00601   3.05212
   D271       3.13990   0.00050   0.00051   0.00535   0.00577  -3.13751
   D272      -0.08495  -0.00009  -0.00032   0.00678   0.00651  -0.07845
   D273      -3.10007  -0.00000   0.00023  -0.00138  -0.00107  -3.10115
   D274       0.02569   0.00005   0.00023   0.00026   0.00051   0.02619
   D275       0.02830  -0.00013   0.00001  -0.00217  -0.00205   0.02625
   D276      -3.12912  -0.00008   0.00001  -0.00053  -0.00047  -3.12959
   D277       3.11889  -0.00037  -0.00100  -0.00468  -0.00568   3.11321
   D278       0.03692  -0.00111  -0.00144  -0.01562  -0.01698   0.01994
   D279       0.08534  -0.00019   0.00005  -0.00966  -0.00962   0.07572
   D280      -2.99663  -0.00093  -0.00040  -0.02059  -0.02091  -3.01754
   D281       0.01264  -0.00046  -0.00039  -0.00502  -0.00538   0.00726
   D282      -3.14008  -0.00051  -0.00050  -0.00543  -0.00584   3.13727
   D283      -3.04511   0.00015   0.00044  -0.00643  -0.00610  -3.05121
   D284       0.08536   0.00010   0.00033  -0.00684  -0.00656   0.07880
   D285      -3.11830   0.00036   0.00097   0.00461   0.00559  -3.11271
   D286      -0.03667   0.00110   0.00141   0.01545   0.01678  -0.01988
   D287      -0.08557   0.00018  -0.00006   0.00965   0.00960  -0.07597
   D288       2.99607   0.00092   0.00038   0.02049   0.02079   3.01686
   D289      -0.01477   0.00044   0.00028   0.00603   0.00642  -0.00835
   D290       3.13845   0.00064   0.00060   0.00676   0.00746  -3.13728
   D291       3.13900   0.00066   0.00062   0.00693   0.00764  -3.13655
   D292       0.00903   0.00085   0.00094   0.00766   0.00868   0.01771
   D293      -0.02877   0.00014  -0.00000   0.00232   0.00221  -0.02656
   D294       3.12933   0.00008  -0.00001   0.00059   0.00053   3.12986
   D295       3.09887   0.00001  -0.00023   0.00155   0.00126   3.10012
   D296      -0.02622  -0.00005  -0.00023  -0.00018  -0.00043  -0.02664
   D297       0.01203  -0.00047  -0.00041  -0.00527  -0.00565   0.00639
   D298      -3.04638   0.00014   0.00043  -0.00655  -0.00621  -3.05260
   D299      -3.14018  -0.00052  -0.00052  -0.00555  -0.00598   3.13703
   D300       0.08459   0.00010   0.00033  -0.00683  -0.00655   0.07804
   D301       3.10020   0.00001  -0.00023   0.00155   0.00124   3.10145
   D302      -0.02579  -0.00005  -0.00024  -0.00022  -0.00047  -0.02626
   D303      -0.02806   0.00013  -0.00002   0.00214   0.00202  -0.02605
   D304       3.12913   0.00006  -0.00003   0.00037   0.00030   3.12943
   D305      -3.11868   0.00038   0.00100   0.00488   0.00589  -3.11279
   D306      -0.03681   0.00116   0.00150   0.01634   0.01774  -0.01907
   D307      -0.08507   0.00019  -0.00005   0.00970   0.00965  -0.07541
   D308       2.99680   0.00097   0.00044   0.02116   0.02150   3.01831
   D309       0.02944  -0.00030  -0.00021  -0.00300  -0.00320   0.02624
   D310       3.12751   0.00038   0.00045   0.00693   0.00736   3.13487
   D311      -3.09606  -0.00030  -0.00014  -0.00426  -0.00435  -3.10041
   D312       0.00201   0.00039   0.00052   0.00567   0.00621   0.00822
   D313      -0.02749  -0.00010  -0.00039   0.00007  -0.00041  -0.02790
   D314       3.07975   0.00072   0.00056   0.01092   0.01149   3.09124
   D315      -3.12554  -0.00079  -0.00106  -0.00992  -0.01102  -3.13656
   D316      -0.01830   0.00002  -0.00011   0.00094   0.00088  -0.01743
   D317      -0.03277   0.00075   0.00084   0.00811   0.00881  -0.02395
   D318       3.05380   0.00108   0.00093   0.01588   0.01685   3.07065
   D319      -3.13992  -0.00014  -0.00023  -0.00311  -0.00341   3.13985
   D320      -0.05336   0.00019  -0.00015   0.00466   0.00463  -0.04873
   D321      -0.03233   0.00073   0.00082   0.00777   0.00845  -0.02389
   D322      -3.13974  -0.00020  -0.00030  -0.00402  -0.00438   3.13906
   D323       3.05433   0.00112   0.00099   0.01651   0.01756   3.07189
   D324      -0.05308   0.00019  -0.00013   0.00472   0.00473  -0.04835
   D325      -0.02756  -0.00008  -0.00037   0.00025  -0.00020  -0.02776
   D326      -3.12610  -0.00081  -0.00108  -0.01019  -0.01131  -3.13741
   D327       3.07993   0.00077   0.00063   0.01167   0.01231   3.09225
   D328      -0.01861   0.00004  -0.00008   0.00123   0.00121  -0.01740
   D329       0.02935  -0.00030  -0.00021  -0.00296  -0.00316   0.02619
   D330      -3.09678  -0.00032  -0.00016  -0.00453  -0.00465  -3.10143
   D331       3.12791   0.00041   0.00049   0.00741   0.00789   3.13580
   D332       0.00178   0.00040   0.00054   0.00585   0.00640   0.00818
   D333       0.02962  -0.00031  -0.00022  -0.00306  -0.00326   0.02636
   D334       3.12783   0.00040   0.00046   0.00712   0.00757   3.13540
   D335      -3.09638  -0.00031  -0.00016  -0.00444  -0.00455  -3.10093
   D336       0.00183   0.00039   0.00053   0.00574   0.00628   0.00811
   D337      -0.02776  -0.00008  -0.00037   0.00025  -0.00020  -0.02795
   D338       3.07977   0.00074   0.00060   0.01129   0.01190   3.09166
   D339      -3.12595  -0.00079  -0.00106  -0.00998  -0.01108  -3.13703
   D340      -0.01843   0.00003  -0.00010   0.00106   0.00101  -0.01741
   D341      -0.03243   0.00074   0.00083   0.00790   0.00859  -0.02384
   D342       3.05424   0.00110   0.00096   0.01617   0.01717   3.07142
   D343      -3.13987  -0.00017  -0.00025  -0.00351  -0.00383   3.13949
   D344      -0.05320   0.00020  -0.00013   0.00477   0.00476  -0.04843
   D345      -0.03271   0.00075   0.00084   0.00805   0.00874  -0.02397
   D346      -3.14000  -0.00017  -0.00026  -0.00350  -0.00383   3.13936
   D347       3.05398   0.00111   0.00096   0.01640   0.01741   3.07139
   D348      -0.05331   0.00020  -0.00014   0.00485   0.00484  -0.04847
   D349      -0.02761  -0.00008  -0.00038   0.00022  -0.00024  -0.02785
   D350      -3.12574  -0.00081  -0.00108  -0.01015  -0.01127  -3.13701
   D351       3.07976   0.00075   0.00060   0.01141   0.01202   3.09178
   D352      -0.01838   0.00003  -0.00010   0.00104   0.00099  -0.01739
   D353       0.02954  -0.00031  -0.00022  -0.00307  -0.00328   0.02626
   D354      -3.09623  -0.00032  -0.00016  -0.00459  -0.00471  -3.10094
   D355       3.12770   0.00040   0.00047   0.00724   0.00770   3.13540
   D356       0.00193   0.00039   0.00053   0.00572   0.00627   0.00820
   D357      -0.02964   0.00031   0.00022   0.00314   0.00335  -0.02629
   D358      -3.12795  -0.00041  -0.00048  -0.00737  -0.00784  -3.13579
   D359       3.09659   0.00032   0.00017   0.00465   0.00478   3.10137
   D360      -0.00172  -0.00040  -0.00054  -0.00585  -0.00641  -0.00813
   D361       0.02770   0.00008   0.00036  -0.00034   0.00010   0.02780
   D362      -3.08006  -0.00077  -0.00063  -0.01168  -0.01233  -3.09238
   D363       3.12598   0.00081   0.00108   0.01022   0.01135   3.13733
   D364       0.01822  -0.00003   0.00009  -0.00112  -0.00108   0.01714
   D365       0.03234  -0.00073  -0.00083  -0.00787  -0.00855   0.02379
   D366      -3.05424  -0.00113  -0.00099  -0.01661  -0.01766  -3.07190
   D367       3.14002   0.00019   0.00029   0.00384   0.00419  -3.13898
   D368       0.05344  -0.00021   0.00012  -0.00491  -0.00493   0.04851
   D369       0.03254  -0.00074  -0.00083  -0.00790  -0.00859   0.02395
   D370       3.13964   0.00016   0.00025   0.00344   0.00375  -3.13979
   D371      -3.05383  -0.00110  -0.00094  -0.01608  -0.01707  -3.07090
   D372       0.05327  -0.00019   0.00014  -0.00474  -0.00472   0.04855
   D373       0.02758   0.00009   0.00038  -0.00017   0.00029   0.02787
   D374       3.12570   0.00079   0.00106   0.00992   0.01102   3.13672
   D375      -3.07960  -0.00073  -0.00058  -0.01115  -0.01173  -3.09133
   D376       0.01852  -0.00003   0.00010  -0.00105  -0.00100   0.01752
   D377      -0.02928   0.00030   0.00021   0.00291   0.00310  -0.02618
   D378       3.09606   0.00031   0.00015   0.00437   0.00448   3.10054
   D379      -3.12742  -0.00039  -0.00046  -0.00713  -0.00758  -3.13500
   D380      -0.00208  -0.00039  -0.00052  -0.00567  -0.00620  -0.00828
         Item               Value     Threshold  Converged?
 Maximum Force            0.039565     0.000450     NO 
 RMS     Force            0.009116     0.000300     NO 
 Maximum Displacement     0.542987     0.001800     NO 
 RMS     Displacement     0.112332     0.001200     NO 
 Predicted change in Energy=-7.155779D-02
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C74H46ClN5
 Framework group  C1[X(C74H46ClN5)]
 Deg. of freedom   372
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        1.268303    2.411598   -0.135805
      2          6           0        1.589952    1.045516   -0.121741
      3          6           0        0.631065    0.019663   -0.091835
      4          6           0       -0.744061    0.390526   -0.086564
      5          6           0       -1.083126    1.754106   -0.101446
      6          6           0       -0.110226    2.738624   -0.123621
      7          6           0        0.998333   -1.399554   -0.071998
      8          6           0       -0.022024   -2.400466   -0.062676
      9          6           0       -1.400853   -2.001953   -0.064707
     10          6           0       -1.785573   -0.621500   -0.070162
     11          6           0        2.333977   -1.824268   -0.046998
     12          6           0        2.730531   -3.171989   -0.018199
     13          6           0        1.693464   -4.137138   -0.008829
     14          6           0        0.365221   -3.757885   -0.027962
     15          7           0       -2.398066   -2.913046   -0.049150
     16          6           0       -3.718225   -2.568731   -0.065103
     17          6           0       -4.030790   -1.176776   -0.076409
     18          7           0       -3.060796   -0.234944   -0.095107
     19          6           0       -4.752313   -3.520564   -0.064497
     20          6           0       -6.063858   -3.096572   -0.075420
     21          6           0       -6.429246   -1.713289   -0.087628
     22          6           0       -5.388919   -0.786168   -0.091164
     23          6           0        2.308535    3.452050   -0.164313
     24          6           0        4.146575   -3.562463    0.008267
     25          6           0       -7.840350   -1.299000   -0.095509
     26          6           0        4.545710   -4.908446    0.150752
     27          6           0        5.880601   -5.295261    0.176950
     28          6           0        6.920203   -4.350062    0.068006
     29          6           0        6.537164   -3.000895   -0.074357
     30          6           0        5.198591   -2.628493   -0.106184
     31          6           0        1.990339    4.819639   -0.298240
     32          6           0        2.959848    5.816246   -0.327220
     33          6           0        4.331006    5.508315   -0.228898
     34          6           0        4.665093    4.145960   -0.093914
     35          6           0        3.684975    3.160359   -0.059799
     36          6           0       -8.897986   -2.230936   -0.044974
     37          6           0      -10.234661   -1.847347   -0.054835
     38          6           0      -10.606646   -0.489783   -0.108464
     39          6           0       -9.559580    0.453107   -0.156034
     40          6           0       -8.227952    0.056331   -0.153201
     41          7           0        5.314011    6.506080   -0.262537
     42          7           0        8.267007   -4.730945    0.097844
     43          7           0      -11.950291   -0.095154   -0.114823
     44          6           0        8.781950   -5.969187   -0.327779
     45          6           0       10.187924   -5.968574   -0.132023
     46          6           0       10.539616   -4.679116    0.425226
     47          6           0        9.334959   -3.940590    0.561050
     48          6           0        6.629174    6.348468   -0.735420
     49          6           0        7.312898    7.585322   -0.600290
     50          6           0        6.374152    8.530368   -0.032654
     51          6           0        5.153151    7.834931    0.169730
     52          6           0      -12.454084    1.116474    0.392720
     53          6           0      -13.859771    1.142333    0.196508
     54          6           0      -14.222923   -0.103965   -0.445120
     55          6           0      -13.024983   -0.843221   -0.628800
     56          6           0       11.765313   -4.131218    0.817450
     57          6           0       11.787608   -2.854735    1.376778
     58          6           0       10.585391   -2.151398    1.568120
     59          6           0        9.354513   -2.682722    1.181519
     60          6           0        8.166639   -7.059476   -0.960469
     61          6           0        8.952581   -8.161296   -1.299668
     62          6           0       10.335719   -8.188499   -1.049262
     63          6           0       10.961037   -7.081866   -0.477353
     64          6           0        6.498409    9.879066    0.316995
     65          6           0        5.412244   10.529626    0.899690
     66          6           0        4.225333    9.821001    1.156587
     67          6           0        4.084161    8.476092    0.813295
     68          6           0        7.263518    5.266562   -1.363939
     69          6           0        8.593440    5.413888   -1.759394
     70          6           0        9.292674    6.618732   -1.569066
     71          6           0        8.646537    7.715629   -1.001597
     72          6           0      -15.453286   -0.613570   -0.872877
     73          6           0      -15.487061   -1.850565   -1.514336
     74          6           0      -14.291308   -2.551243   -1.750675
     75          6           0      -13.055906   -2.057883   -1.329821
     76          6           0      -11.829174    2.155603    1.098003
     77          6           0      -12.605110    3.239510    1.509989
     78          6           0      -13.987641    3.296847    1.260874
     79          6           0      -14.622728    2.237313    0.615333
     80          1           0       -2.171967   -3.896967   -0.107403
     81          1           0        2.636310    0.769578   -0.156822
     82          1           0       -2.126926    2.038509   -0.090243
     83          1           0       -0.443960    3.769580   -0.119890
     84          1           0        3.107429   -1.067908   -0.022406
     85          1           0        1.910101   -5.198002    0.010180
     86          1           0       -0.370397   -4.553800   -0.002678
     87          1           0       -4.522669   -4.580031   -0.040672
     88          1           0       -6.824522   -3.867547   -0.072505
     89          1           0       -5.566036    0.281794   -0.097739
     90          1           0        3.812472   -5.695236    0.283150
     91          1           0        6.097631   -6.336704    0.374319
     92          1           0        7.277451   -2.231894   -0.251835
     93          1           0        4.997195   -1.574679   -0.260588
     94          1           0        0.962885    5.141809   -0.420878
     95          1           0        2.632220    6.829841   -0.517580
     96          1           0        5.689685    3.842210    0.076569
     97          1           0        4.031518    2.144200    0.090312
     98          1           0       -8.702628   -3.293923    0.034016
     99          1           0      -10.980382   -2.621508    0.069138
    100          1           0       -9.769174    1.506983   -0.283511
    101          1           0       -7.488098    0.845048   -0.225283
    102          1           0       12.681812   -4.699175    0.699797
    103          1           0       12.727818   -2.416282    1.692496
    104          1           0       10.602999   -1.178624    2.046361
    105          1           0        8.453496   -2.128674    1.412081
    106          1           0        7.119358   -7.063621   -1.234449
    107          1           0        8.478636   -9.006054   -1.786576
    108          1           0       10.919751   -9.058497   -1.328395
    109          1           0       12.033177   -7.076240   -0.313415
    110          1           0        7.432010   10.404777    0.148229
    111          1           0        5.492039   11.573436    1.182618
    112          1           0        3.399642   10.318923    1.652230
    113          1           0        3.174165    7.960611    1.092711
    114          1           0        6.752056    4.340324   -1.593128
    115          1           0        9.086149    4.578174   -2.243423
    116          1           0       10.324679    6.702955   -1.891356
    117          1           0        9.163749    8.661731   -0.884034
    118          1           0      -16.364636   -0.046245   -0.717982
    119          1           0      -16.431177   -2.258912   -1.857654
    120          1           0      -14.317708   -3.491087   -2.290478
    121          1           0      -12.159837   -2.604663   -1.594558
    122          1           0      -10.782480    2.130732    1.373268
    123          1           0      -12.123863    4.044525    2.053729
    124          1           0      -14.563821    4.151386    1.598112
    125          1           0      -15.694773    2.252715    0.451273
    126         17           0       -2.244871   -3.522021    2.723747
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           0.0229799           0.0073703           0.0056772
 Standard basis: 6-31G(d,p) (6D, 7F)
 There are  1434 symmetry adapted cartesian basis functions of A   symmetry.
 There are  1434 symmetry adapted basis functions of A   symmetry.
  1434 basis functions,  2586 primitive gaussians,  1434 cartesian basis functions
   271 alpha electrons      271 beta electrons
       nuclear repulsion energy     10548.0400594804 Hartrees.
 NAtoms=  126 NActive=  126 NUniq=  126 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=T Big=T
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 One-electron integrals computed using PRISM.
 NBasis=  1434 RedAO= T EigKep=  1.37D-04  NBF=  1434
 NBsUse=  1434 1.00D-06 EigRej= -1.00D+00 NBFU=  1434
 Initial guess from the checkpoint file:  "ph.chk"
 B after Tr=    -0.000000   -0.000000    0.000000
         Rot=    0.999996   -0.000625    0.000023    0.002695 Ang=  -0.32 deg.
 ExpMin= 1.43D-01 ExpMax= 2.52D+04 ExpMxC= 3.78D+03 IAcc=2 IRadAn=         4 AccDes= 0.00D+00
 Harris functional with IExCor=  402 and IRadAn=       4 diagonalized for initial guess.
 HarFok:  IExCor=  402 AccDes= 0.00D+00 IRadAn=         4 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=        2001
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Petite list used in FoFCou.
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Integral accuracy reduced to 1.0D-05 until final iterations.
 Initial convergence to 1.0D-05 achieved.  Increase integral accuracy.
 SCF Done:  E(RB3LYP) =  -3581.71597903     A.U. after   17 cycles
            NFock= 17  Conv=0.36D-08     -V/T= 2.0089
 Calling FoFJK, ICntrl=      2127 FMM=T ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.010156038   -0.005051346    0.001031888
      2        6          -0.002874673    0.001054226    0.000682823
      3        6           0.004440273    0.007646650   -0.000152963
      4        6          -0.006507394   -0.001057190   -0.000359911
      5        6          -0.004971715    0.002272725   -0.000565224
      6        6           0.002036761   -0.002958570   -0.000297267
      7        6           0.003187035   -0.006688416    0.000514852
      8        6          -0.003225336   -0.000754043   -0.000271635
      9        6          -0.000092614    0.001183341    0.002256013
     10        6           0.005473971   -0.000208504    0.001632947
     11        6          -0.002478010   -0.001349435   -0.000660526
     12        6           0.009695371    0.005697363   -0.000083841
     13        6           0.001246966    0.003331721    0.000805785
     14        6          -0.002735603   -0.001289801    0.000012510
     15        7          -0.001104982    0.006629905    0.002947895
     16        6           0.002257181    0.002783854   -0.000038255
     17        6           0.001727667   -0.004228711    0.001322265
     18        7          -0.004214260   -0.001372078   -0.002042415
     19        6           0.000964076    0.002532881    0.000800076
     20        6          -0.002869190   -0.002783509    0.000771949
     21        6          -0.009531596   -0.002742773   -0.000386122
     22        6           0.002451245   -0.000971119    0.000193828
     23        6          -0.009585321    0.005664010   -0.001120814
     24        6          -0.009104644   -0.006038296   -0.000033483
     25        6           0.009827366    0.005088809    0.000116052
     26        6          -0.002104167    0.001296917   -0.000952138
     27        6           0.000275385    0.000956735   -0.006497056
     28        6           0.010443147    0.006541518    0.000314180
     29        6           0.000906603   -0.000262741    0.006557462
     30        6           0.000450472   -0.002327059    0.000954809
     31        6          -0.002146195   -0.001417525    0.000924639
     32        6          -0.000559102   -0.000900688    0.006641269
     33        6           0.010998491   -0.006009127    0.001082319
     34        6           0.001658769    0.000363671   -0.006437886
     35        6           0.000490482    0.002285672   -0.000878415
     36        6          -0.000755500    0.002429145   -0.000671074
     37        6          -0.000562837   -0.000023227   -0.006572422
     38        6          -0.010256976   -0.006781799   -0.000055518
     39        6          -0.000611879   -0.000566843    0.006649148
     40        6           0.001852955   -0.001294091    0.000843412
     41        7           0.001043201   -0.000638837    0.000113270
     42        7           0.001316928    0.000818969   -0.000007771
     43        7          -0.001264476   -0.000790568    0.000003565
     44        6          -0.005636480   -0.004809934    0.005847560
     45        6           0.000110941    0.001100161   -0.002134667
     46        6           0.000970580   -0.000410889    0.002169276
     47        6          -0.006570293   -0.002936235   -0.006131988
     48        6          -0.007202274    0.002622953    0.005298336
     49        6           0.001162672    0.000542933   -0.002052182
     50        6          -0.000148928   -0.001110441    0.002157615
     51        6          -0.005113231    0.004278948   -0.006583229
     52        6           0.005744648    0.004413850   -0.006045074
     53        6          -0.000135704   -0.000975434    0.002209661
     54        6          -0.000914118    0.000311269   -0.002175549
     55        6           0.006355477    0.003315927    0.006051219
     56        6           0.001180138    0.003715284   -0.001986807
     57        6           0.003502484   -0.000668270    0.000904982
     58        6          -0.000654191   -0.004167777    0.001073401
     59        6           0.000034397    0.000337113   -0.001140530
     60        6           0.000234144   -0.000065344    0.001183095
     61        6          -0.004002355    0.001253023   -0.001149612
     62        6           0.000904829    0.003471763   -0.000770894
     63        6           0.003796003   -0.000563957    0.002102545
     64        6           0.003982051    0.000797203   -0.001609408
     65        6           0.000997400   -0.003406681    0.000916209
     66        6          -0.004023463   -0.001482134    0.000688279
     67        6           0.000388053    0.000120709   -0.001106146
     68        6          -0.000142108   -0.000347441    0.001191223
     69        6          -0.000716353    0.004127770   -0.001165771
     70        6           0.003514835    0.000888783   -0.000447390
     71        6           0.001158339   -0.003631978    0.002140638
     72        6          -0.001209684   -0.003596207    0.002176687
     73        6          -0.003479092    0.000612013   -0.000974800
     74        6           0.000630653    0.004098271   -0.001301583
     75        6          -0.000085697   -0.000207817    0.001196562
     76        6          -0.000239197    0.000029017   -0.001154117
     77        6           0.003968716   -0.001129493    0.001337856
     78        6          -0.000899796   -0.003411062    0.001009502
     79        6          -0.003755672    0.000414871   -0.002222661
     80        1           0.000150886   -0.001542454   -0.008673162
     81        1           0.001444328    0.000671876    0.000063713
     82        1           0.001906528   -0.001414327    0.000278312
     83        1          -0.001517699   -0.000347686   -0.000335272
     84        1           0.001368780   -0.000520248    0.000038548
     85        1          -0.001282752    0.000277857   -0.000086584
     86        1           0.000944684    0.000894109   -0.001627602
     87        1          -0.000916542   -0.000648570   -0.001276744
     88        1           0.000411549    0.001555423   -0.000138382
     89        1           0.000185561   -0.000182846   -0.000313209
     90        1           0.000541299    0.001140087    0.000037920
     91        1          -0.001864871    0.000291021    0.000574240
     92        1          -0.000460286   -0.001803088   -0.000696626
     93        1           0.001603100    0.000188245   -0.000080372
     94        1           0.000615645   -0.001137781   -0.000112894
     95        1          -0.001765815   -0.000425069   -0.000878009
     96        1          -0.000603990    0.001781779    0.000567486
     97        1           0.001599953   -0.000075788    0.000229885
     98        1          -0.001104904    0.000040241    0.000091904
     99        1           0.000426542    0.001835818    0.000506424
    100        1           0.001883165   -0.000370053   -0.000569429
    101        1          -0.000744457   -0.001261728   -0.000246421
    102        1          -0.000485936   -0.000726238    0.000160061
    103        1          -0.000668486    0.000443938    0.000070414
    104        1          -0.000550373    0.000910662   -0.000487598
    105        1           0.000305438   -0.000866248    0.001741289
    106        1          -0.000529160    0.000657916   -0.001815097
    107        1           0.000587123   -0.000914868    0.000449150
    108        1           0.000117455   -0.000800538   -0.000094511
    109        1          -0.000852133   -0.000125786   -0.000198706
    110        1          -0.000876635    0.000075284    0.000086024
    111        1           0.000060072    0.000797240    0.000093476
    112        1           0.000575236    0.000937217   -0.000406510
    113        1          -0.000713274   -0.000707781    0.001715344
    114        1           0.000453554    0.000864115   -0.001749329
    115        1          -0.000560748   -0.000941708    0.000403234
    116        1          -0.000618723   -0.000484618   -0.000161516
    117        1          -0.000507936    0.000690414   -0.000233854
    118        1           0.000488692    0.000713678   -0.000204835
    119        1           0.000670214   -0.000449521   -0.000045336
    120        1           0.000554107   -0.000885528    0.000524375
    121        1          -0.000242163    0.000716784   -0.001859170
    122        1           0.000543175   -0.000536380    0.001793862
    123        1          -0.000568902    0.000866211   -0.000543888
    124        1          -0.000123041    0.000793898    0.000031189
    125        1           0.000849712    0.000140435    0.000200456
    126       17           0.000220389   -0.003717976    0.004587293
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.010998491 RMS     0.002838687

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.008340143 RMS     0.001548642
 Search for a local minimum.
 Step number   4 out of a maximum of  756
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- RFO/linear search
 Update second derivatives using D2CorX and points    3    4
 DE= -8.37D-02 DEPred=-7.16D-02 R= 1.17D+00
 TightC=F SS=  1.41D+00  RLast= 7.35D-01 DXNew= 8.4853D-01 2.2048D+00
 Trust test= 1.17D+00 RLast= 7.35D-01 DXMaxT set to 8.49D-01
 ITU=  1  0  1  0
 Use linear search instead of GDIIS.
     Eigenvalues ---    0.02010   0.02572   0.02576   0.02593   0.02667
     Eigenvalues ---    0.02673   0.02688   0.02688   0.02695   0.02699
     Eigenvalues ---    0.02704   0.02704   0.02705   0.02709   0.02713
     Eigenvalues ---    0.02715   0.02724   0.02740   0.02743   0.02755
     Eigenvalues ---    0.02759   0.02763   0.02768   0.02769   0.02769
     Eigenvalues ---    0.02773   0.02787   0.02787   0.02788   0.02790
     Eigenvalues ---    0.02790   0.02791   0.02793   0.02793   0.02793
     Eigenvalues ---    0.02794   0.02794   0.02794   0.02796   0.02801
     Eigenvalues ---    0.02802   0.02803   0.02809   0.02809   0.02810
     Eigenvalues ---    0.02813   0.02814   0.02815   0.02817   0.02819
     Eigenvalues ---    0.02821   0.02821   0.02822   0.02824   0.02824
     Eigenvalues ---    0.02824   0.02824   0.02824   0.02825   0.02827
     Eigenvalues ---    0.02832   0.02836   0.02838   0.02846   0.02846
     Eigenvalues ---    0.02846   0.02846   0.02846   0.02846   0.02853
     Eigenvalues ---    0.02859   0.02861   0.02868   0.02871   0.02871
     Eigenvalues ---    0.02871   0.02874   0.02874   0.02874   0.02878
     Eigenvalues ---    0.02878   0.02878   0.02878   0.02878   0.02878
     Eigenvalues ---    0.02884   0.02884   0.02885   0.02885   0.02885
     Eigenvalues ---    0.02885   0.02886   0.02886   0.02886   0.02896
     Eigenvalues ---    0.02899   0.02900   0.02900   0.02901   0.02901
     Eigenvalues ---    0.02901   0.02913   0.02913   0.02913   0.02915
     Eigenvalues ---    0.02919   0.02920   0.02920   0.02955   0.02955
     Eigenvalues ---    0.02957   0.02979   0.03008   0.03027   0.03027
     Eigenvalues ---    0.03027   0.03064   0.03136   0.03136   0.03136
     Eigenvalues ---    0.03150   0.03151   0.03258   0.06247   0.15684
     Eigenvalues ---    0.15930   0.15932   0.15939   0.15939   0.15940
     Eigenvalues ---    0.15943   0.15951   0.15981   0.15981   0.15982
     Eigenvalues ---    0.15982   0.15982   0.15987   0.15990   0.15992
     Eigenvalues ---    0.15992   0.15992   0.15992   0.15992   0.15992
     Eigenvalues ---    0.15992   0.15992   0.15993   0.15995   0.15995
     Eigenvalues ---    0.15996   0.15997   0.15997   0.15997   0.15997
     Eigenvalues ---    0.15997   0.15998   0.15998   0.15998   0.15998
     Eigenvalues ---    0.15999   0.15999   0.15999   0.15999   0.15999
     Eigenvalues ---    0.15999   0.16000   0.16000   0.16000   0.16034
     Eigenvalues ---    0.17557   0.21996   0.21996   0.21996   0.21996
     Eigenvalues ---    0.21996   0.21999   0.22006   0.22006   0.22006
     Eigenvalues ---    0.22398   0.22420   0.22431   0.22586   0.22586
     Eigenvalues ---    0.22590   0.22590   0.22590   0.22625   0.22937
     Eigenvalues ---    0.22944   0.22944   0.23462   0.23478   0.23484
     Eigenvalues ---    0.23540   0.23860   0.24003   0.24003   0.24274
     Eigenvalues ---    0.24398   0.24398   0.24399   0.24444   0.24445
     Eigenvalues ---    0.24608   0.24616   0.24622   0.24889   0.24890
     Eigenvalues ---    0.24936   0.24936   0.24936   0.24969   0.24989
     Eigenvalues ---    0.24992   0.24994   0.24998   0.24999   0.25000
     Eigenvalues ---    0.25000   0.25000   0.25000   0.25000   0.25000
     Eigenvalues ---    0.25000   0.25000   0.25000   0.25000   0.25034
     Eigenvalues ---    0.25221   0.33222   0.33248   0.33252   0.33254
     Eigenvalues ---    0.33256   0.33257   0.33287   0.33317   0.33390
     Eigenvalues ---    0.33393   0.33396   0.33399   0.33401   0.33436
     Eigenvalues ---    0.33562   0.33567   0.33570   0.33572   0.33576
     Eigenvalues ---    0.33597   0.33613   0.33627   0.33642   0.33645
     Eigenvalues ---    0.33652   0.33657   0.33681   0.33684   0.33702
     Eigenvalues ---    0.33708   0.33727   0.33800   0.33818   0.33829
     Eigenvalues ---    0.33831   0.33835   0.33840   0.33908   0.33929
     Eigenvalues ---    0.33930   0.33932   0.33936   0.33940   0.34984
     Eigenvalues ---    0.35003   0.42737   0.44431   0.44432   0.44433
     Eigenvalues ---    0.44940   0.45625   0.48210   0.48753   0.48940
     Eigenvalues ---    0.48941   0.49226   0.49293   0.49487   0.49590
     Eigenvalues ---    0.49596   0.49616   0.49953   0.50173   0.50189
     Eigenvalues ---    0.50230   0.50424   0.50427   0.50516   0.50564
     Eigenvalues ---    0.50566   0.50570   0.50646   0.52310   0.52320
     Eigenvalues ---    0.52485   0.52663   0.53744   0.54101   0.54107
     Eigenvalues ---    0.54203   0.54206   0.54207   0.54265   0.54391
     Eigenvalues ---    0.54413   0.54882   0.55185   0.55201   0.55317
     Eigenvalues ---    0.55323   0.55351   0.55370   0.55385   0.55418
     Eigenvalues ---    0.55441   0.55662   0.55724   0.55725   0.55732
     Eigenvalues ---    0.55853   0.55944   0.55947   0.56143   0.56145
     Eigenvalues ---    0.56146   0.56162   0.56202   0.56282   0.56286
     Eigenvalues ---    0.56428   0.56659   0.56662   0.56666   0.56668
     Eigenvalues ---    0.56674   0.56678   0.56747   0.56785   0.56844
     Eigenvalues ---    0.56906   0.56909   0.57141   0.57169   0.57170
     Eigenvalues ---    0.57171   0.57182   0.57183   0.59341   0.59967
     Eigenvalues ---    0.62545   0.63934   0.66100   0.66104   0.67694
     Eigenvalues ---    0.67701   0.67708   0.69528   0.70108   0.70132
     Eigenvalues ---    0.73893   0.76269
 RFO step:  Lambda=-1.61069143D-02 EMin= 2.00957957D-02
 Quartic linear search produced a step of  0.08126.
 Iteration  1 RMS(Cart)=  0.16465637 RMS(Int)=  0.00315739
 Iteration  2 RMS(Cart)=  0.00881360 RMS(Int)=  0.00005624
 Iteration  3 RMS(Cart)=  0.00001831 RMS(Int)=  0.00005595
 Iteration  4 RMS(Cart)=  0.00000000 RMS(Int)=  0.00005595
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        2.65225  -0.00247   0.00265  -0.00486  -0.00220   2.65004
    R2        2.67744  -0.00266   0.00380  -0.00533  -0.00152   2.67592
    R3        2.78081   0.00779   0.00644   0.01455   0.02098   2.80180
    R4        2.65420  -0.00036   0.00246  -0.00085   0.00162   2.65581
    R5        2.04601  -0.00158  -0.00048  -0.00452  -0.00500   2.04101
    R6        2.69148  -0.00515   0.00375  -0.00992  -0.00618   2.68530
    R7        2.77053   0.00428   0.00637   0.00769   0.01406   2.78459
    R8        2.65541  -0.00088   0.00302  -0.00206   0.00095   2.65636
    R9        2.74447   0.00245   0.00533   0.00404   0.00938   2.75385
   R10        2.61596  -0.00323   0.00241  -0.00617  -0.00377   2.61219
   R11        2.04451   0.00088  -0.00176   0.00295   0.00119   2.04571
   R12        2.04777  -0.00036  -0.00139  -0.00085  -0.00224   2.04553
   R13        2.70108  -0.00360   0.00401  -0.00724  -0.00323   2.69784
   R14        2.64896  -0.00069   0.00230  -0.00143   0.00087   2.64982
   R15        2.71226  -0.00014   0.00465  -0.00097   0.00368   2.71594
   R16        2.66830  -0.00183   0.00362  -0.00392  -0.00030   2.66799
   R17        2.70811  -0.00162   0.00452  -0.00375   0.00074   2.70885
   R18        2.55271  -0.00133   0.00149  -0.00264  -0.00110   2.55162
   R19        2.51855  -0.00321   0.00255  -0.00442  -0.00193   2.51662
   R20        2.65534  -0.00279   0.00267  -0.00544  -0.00277   2.65257
   R21        2.04485  -0.00145  -0.00049  -0.00412  -0.00462   2.04023
   R22        2.67722  -0.00257   0.00384  -0.00520  -0.00134   2.67588
   R23        2.77626   0.00757   0.00632   0.01413   0.02045   2.79671
   R24        2.61058  -0.00296   0.00230  -0.00572  -0.00342   2.60716
   R25        2.04643  -0.00039  -0.00148  -0.00093  -0.00241   2.04402
   R26        2.04864   0.00020  -0.00148   0.00085  -0.00063   2.04801
   R27        2.57837  -0.00043   0.00321  -0.00135   0.00193   2.58031
   R28        1.91098   0.00126  -0.00129   0.00254   0.00129   1.91227
   R29        5.37270   0.00298   0.00411   0.03534   0.03988   5.41258
   R30        2.69600  -0.00368   0.00504  -0.00726  -0.00219   2.69381
   R31        2.65594  -0.00206   0.00354  -0.00434  -0.00078   2.65516
   R32        2.55518   0.00192   0.00459   0.00222   0.00676   2.56194
   R33        2.67068  -0.00039   0.00342  -0.00111   0.00231   2.67298
   R34        2.60483  -0.00258   0.00171  -0.00485  -0.00313   2.60170
   R35        2.04909   0.00046  -0.00183   0.00171  -0.00012   2.04897
   R36        2.70378  -0.00020   0.00443  -0.00074   0.00368   2.70746
   R37        2.04669  -0.00040  -0.00143  -0.00099  -0.00242   2.04427
   R38        2.63334  -0.00315   0.00165  -0.00591  -0.00427   2.62907
   R39        2.77919   0.00767   0.00643   0.01425   0.02068   2.79987
   R40        2.04576  -0.00017  -0.00142  -0.00029  -0.00171   2.04405
   R41        2.66544  -0.00281   0.00323  -0.00559  -0.00237   2.66307
   R42        2.66618  -0.00333   0.00327  -0.00659  -0.00334   2.66285
   R43        2.66664  -0.00279   0.00329  -0.00555  -0.00227   2.66437
   R44        2.66722  -0.00329   0.00332  -0.00653  -0.00323   2.66399
   R45        2.66555  -0.00303   0.00327  -0.00599  -0.00274   2.66282
   R46        2.66611  -0.00301   0.00330  -0.00599  -0.00270   2.66341
   R47        2.62682  -0.00134   0.00250  -0.00274  -0.00024   2.62658
   R48        2.04772  -0.00012  -0.00143  -0.00014  -0.00157   2.04615
   R49        2.66314  -0.00325   0.00296  -0.00634  -0.00337   2.65977
   R50        2.04463  -0.00049  -0.00134  -0.00127  -0.00261   2.04202
   R51        2.66394  -0.00316   0.00300  -0.00620  -0.00319   2.66075
   R52        2.64551   0.00815   0.00572   0.01136   0.01708   2.66259
   R53        2.62629  -0.00143   0.00249  -0.00295  -0.00046   2.62584
   R54        2.04482  -0.00054  -0.00135  -0.00143  -0.00278   2.04205
   R55        2.04835   0.00002  -0.00148   0.00031  -0.00117   2.04718
   R56        2.62802  -0.00132   0.00253  -0.00271  -0.00017   2.62785
   R57        2.04797  -0.00015  -0.00141  -0.00023  -0.00164   2.04633
   R58        2.66214  -0.00331   0.00293  -0.00644  -0.00350   2.65865
   R59        2.04488  -0.00052  -0.00133  -0.00135  -0.00268   2.04220
   R60        2.66300  -0.00320   0.00297  -0.00627  -0.00329   2.65972
   R61        2.64762   0.00834   0.00579   0.01163   0.01742   2.66504
   R62        2.62747  -0.00140   0.00252  -0.00289  -0.00038   2.62709
   R63        2.04503  -0.00058  -0.00132  -0.00154  -0.00286   2.04217
   R64        2.04859   0.00001  -0.00146   0.00026  -0.00120   2.04739
   R65        2.62797  -0.00121   0.00254  -0.00251   0.00003   2.62800
   R66        2.04784  -0.00015  -0.00143  -0.00023  -0.00166   2.04619
   R67        2.66192  -0.00328   0.00292  -0.00640  -0.00347   2.65845
   R68        2.04475  -0.00055  -0.00132  -0.00145  -0.00277   2.04197
   R69        2.66421  -0.00314   0.00300  -0.00616  -0.00315   2.66106
   R70        2.64640   0.00820   0.00574   0.01143   0.01717   2.66357
   R71        2.62575  -0.00146   0.00246  -0.00298  -0.00052   2.62522
   R72        2.04478  -0.00054  -0.00133  -0.00143  -0.00276   2.04202
   R73        2.04811   0.00001  -0.00142   0.00026  -0.00116   2.04695
   R74        2.65781   0.00400   0.00610   0.00593   0.01203   2.66985
   R75        2.65812   0.00394   0.00612   0.00581   0.01195   2.67007
   R76        2.65879   0.00404   0.00616   0.00597   0.01214   2.67093
   R77        2.65891   0.00411   0.00614   0.00609   0.01224   2.67115
   R78        2.65871   0.00409   0.00614   0.00605   0.01219   2.67091
   R79        2.65823   0.00407   0.00613   0.00602   0.01216   2.67039
   R80        2.68254  -0.00193   0.00378  -0.00420  -0.00041   2.68212
   R81        2.65076  -0.00214   0.00240  -0.00402  -0.00161   2.64915
   R82        2.73646  -0.00158   0.00637  -0.00459   0.00177   2.73823
   R83        2.64317  -0.00098   0.00304  -0.00218   0.00086   2.64403
   R84        2.68252  -0.00192   0.00377  -0.00415  -0.00037   2.68216
   R85        2.64316  -0.00096   0.00305  -0.00216   0.00089   2.64405
   R86        2.65074  -0.00210   0.00239  -0.00393  -0.00153   2.64920
   R87        2.68284  -0.00184   0.00378  -0.00398  -0.00019   2.68265
   R88        2.65098  -0.00207   0.00239  -0.00387  -0.00146   2.64951
   R89        2.73623  -0.00166   0.00637  -0.00471   0.00165   2.73789
   R90        2.64333  -0.00098   0.00305  -0.00219   0.00086   2.64419
   R91        2.68277  -0.00191   0.00379  -0.00416  -0.00036   2.68241
   R92        2.64337  -0.00097   0.00305  -0.00218   0.00088   2.64425
   R93        2.65101  -0.00214   0.00240  -0.00401  -0.00160   2.64941
   R94        2.68256  -0.00191   0.00377  -0.00414  -0.00036   2.68220
   R95        2.65083  -0.00210   0.00240  -0.00393  -0.00153   2.64930
   R96        2.73640  -0.00162   0.00638  -0.00466   0.00171   2.73811
   R97        2.64325  -0.00097   0.00305  -0.00216   0.00088   2.64414
   R98        2.68268  -0.00190   0.00378  -0.00412  -0.00033   2.68235
   R99        2.64323  -0.00098   0.00305  -0.00219   0.00085   2.64408
   R100       2.65087  -0.00213   0.00239  -0.00399  -0.00158   2.64928
   R101       2.63395  -0.00278   0.00295  -0.00555  -0.00260   2.63135
   R102       2.04962   0.00088  -0.00143   0.00288   0.00144   2.05107
   R103       2.65681  -0.00311   0.00367  -0.00618  -0.00252   2.65429
   R104       2.04921   0.00064  -0.00168   0.00222   0.00054   2.04975
   R105       2.63671  -0.00114   0.00286  -0.00236   0.00050   2.63721
   R106       2.04869   0.00113  -0.00178   0.00372   0.00195   2.05063
   R107       2.04576  -0.00083  -0.00130  -0.00228  -0.00358   2.04218
   R108       2.63667  -0.00114   0.00286  -0.00237   0.00049   2.63716
   R109       2.04569  -0.00080  -0.00130  -0.00220  -0.00350   2.04219
   R110       2.65674  -0.00308   0.00368  -0.00613  -0.00246   2.65428
   R111       2.04869   0.00113  -0.00177   0.00372   0.00194   2.05064
   R112       2.63394  -0.00277   0.00295  -0.00553  -0.00259   2.63135
   R113       2.04920   0.00064  -0.00169   0.00223   0.00054   2.04975
   R114       2.04963   0.00087  -0.00142   0.00286   0.00144   2.05107
   R115       2.63379  -0.00277   0.00295  -0.00553  -0.00260   2.63120
   R116       2.04969   0.00087  -0.00142   0.00286   0.00144   2.05113
   R117       2.65700  -0.00308   0.00368  -0.00612  -0.00245   2.65455
   R118       2.04925   0.00064  -0.00168   0.00221   0.00053   2.04978
   R119       2.63653  -0.00114   0.00285  -0.00238   0.00047   2.63700
   R120       2.04872   0.00113  -0.00178   0.00372   0.00195   2.05067
   R121       2.04570  -0.00079  -0.00130  -0.00217  -0.00347   2.04223
   R122       2.63668  -0.00115   0.00285  -0.00239   0.00046   2.63714
   R123       2.04583  -0.00085  -0.00129  -0.00233  -0.00362   2.04221
   R124       2.65693  -0.00309   0.00368  -0.00617  -0.00249   2.65444
   R125       2.04882   0.00112  -0.00177   0.00370   0.00193   2.05075
   R126       2.63391  -0.00279   0.00295  -0.00557  -0.00263   2.63129
   R127       2.04928   0.00063  -0.00168   0.00219   0.00051   2.04979
   R128       2.04967   0.00088  -0.00142   0.00288   0.00145   2.05112
   R129       2.63396  -0.00278   0.00295  -0.00556  -0.00262   2.63134
   R130       2.04964   0.00088  -0.00143   0.00288   0.00145   2.05109
   R131       2.65682  -0.00310   0.00368  -0.00616  -0.00250   2.65432
   R132       2.04926   0.00063  -0.00168   0.00220   0.00052   2.04978
   R133       2.63665  -0.00113   0.00286  -0.00236   0.00049   2.63715
   R134       2.04875   0.00112  -0.00177   0.00370   0.00193   2.05069
   R135       2.04579  -0.00085  -0.00129  -0.00233  -0.00362   2.04217
   R136       2.63660  -0.00114   0.00285  -0.00237   0.00048   2.63708
   R137       2.04576  -0.00082  -0.00129  -0.00226  -0.00355   2.04221
   R138       2.65689  -0.00309   0.00368  -0.00616  -0.00248   2.65441
   R139       2.04868   0.00112  -0.00177   0.00372   0.00194   2.05062
   R140       2.63389  -0.00280   0.00295  -0.00558  -0.00264   2.63125
   R141       2.04924   0.00064  -0.00168   0.00222   0.00053   2.04977
   R142       2.04966   0.00087  -0.00142   0.00286   0.00144   2.05110
   R143       5.39857  -0.00647  -0.00815  -0.16868  -0.17729   5.22128
    A1        2.03482   0.00077   0.00377   0.00272   0.00650   2.04132
    A2        2.12514  -0.00078  -0.00229  -0.00291  -0.00521   2.11993
    A3        2.12322   0.00001  -0.00148   0.00019  -0.00129   2.12193
    A4        2.15875  -0.00101  -0.00391  -0.00319  -0.00710   2.15165
    A5        2.05921   0.00069   0.00322   0.00247   0.00569   2.06490
    A6        2.06500   0.00032   0.00069   0.00073   0.00142   2.06642
    A7        2.05901   0.00020   0.00136   0.00073   0.00209   2.06109
    A8        2.13683  -0.00026  -0.00205  -0.00104  -0.00308   2.13376
    A9        2.08734   0.00005   0.00069   0.00034   0.00099   2.08833
   A10        2.07786   0.00046   0.00135   0.00141   0.00275   2.08061
   A11        2.10713   0.00001  -0.00032   0.00025  -0.00010   2.10703
   A12        2.09819  -0.00048  -0.00103  -0.00166  -0.00266   2.09553
   A13        2.11850  -0.00018  -0.00149  -0.00078  -0.00229   2.11621
   A14        2.08034  -0.00218  -0.00324  -0.01258  -0.01582   2.06452
   A15        2.08433   0.00236   0.00473   0.01337   0.01811   2.10244
   A16        2.11740  -0.00025  -0.00107  -0.00089  -0.00196   2.11544
   A17        2.11679  -0.00144  -0.00218  -0.00847  -0.01066   2.10614
   A18        2.04893   0.00168   0.00325   0.00933   0.01258   2.06151
   A19        2.09338  -0.00002   0.00024  -0.00025  -0.00003   2.09335
   A20        2.13202  -0.00015  -0.00126  -0.00065  -0.00188   2.13015
   A21        2.05771   0.00017   0.00102   0.00086   0.00186   2.05958
   A22        2.08444  -0.00026  -0.00186  -0.00122  -0.00311   2.08132
   A23        2.06868   0.00066   0.00156   0.00263   0.00415   2.07283
   A24        2.12990  -0.00041   0.00029  -0.00158  -0.00127   2.12863
   A25        2.12395   0.00076   0.00253   0.00291   0.00536   2.12930
   A26        2.11988  -0.00060  -0.00179  -0.00084  -0.00266   2.11722
   A27        2.03931  -0.00016  -0.00074  -0.00208  -0.00271   2.03660
   A28        2.07005  -0.00055  -0.00128  -0.00220  -0.00350   2.06655
   A29        2.07585   0.00047  -0.00054   0.00269   0.00218   2.07804
   A30        2.13688   0.00008   0.00182  -0.00045   0.00137   2.13825
   A31        2.16503  -0.00119  -0.00369  -0.00409  -0.00780   2.15722
   A32        2.05973   0.00041   0.00038   0.00111   0.00150   2.06123
   A33        2.05808   0.00077   0.00330   0.00282   0.00612   2.06420
   A34        2.03416   0.00079   0.00393   0.00263   0.00657   2.04073
   A35        2.12623  -0.00076  -0.00237  -0.00273  -0.00510   2.12112
   A36        2.12278  -0.00004  -0.00156   0.00009  -0.00148   2.12130
   A37        2.11379   0.00028  -0.00116   0.00124   0.00009   2.11388
   A38        2.11888  -0.00143  -0.00192  -0.00789  -0.00981   2.10907
   A39        2.05051   0.00114   0.00308   0.00665   0.00972   2.06023
   A40        2.12698  -0.00072  -0.00165  -0.00330  -0.00499   2.12199
   A41        2.11797  -0.00099  -0.00184  -0.00610  -0.00796   2.11001
   A42        2.03817   0.00171   0.00348   0.00925   0.01270   2.05087
   A43        2.14592   0.00052   0.00153   0.00420   0.00542   2.15133
   A44        2.08349  -0.00068  -0.00252  -0.00253  -0.00550   2.07799
   A45        1.68698   0.00279   0.00203   0.03330   0.03476   1.72174
   A46        2.05014   0.00021   0.00121   0.00225   0.00303   2.05316
   A47        1.68866   0.00132   0.00166   0.02528   0.02633   1.71499
   A48        2.04687  -0.00044  -0.00186  -0.00245  -0.00418   2.04269
   A49        2.14241  -0.00065  -0.00045  -0.00142  -0.00197   2.14044
   A50        2.09390   0.00109   0.00231   0.00389   0.00616   2.10006
   A51        2.12063  -0.00009   0.00185  -0.00047   0.00141   2.12204
   A52        2.07178  -0.00021  -0.00096  -0.00124  -0.00219   2.06959
   A53        2.09062   0.00030  -0.00090   0.00168   0.00075   2.09138
   A54        2.07615   0.00011  -0.00258   0.00173  -0.00093   2.07522
   A55        2.08489  -0.00050  -0.00160  -0.00232  -0.00391   2.08098
   A56        2.10122  -0.00083   0.00024  -0.00527  -0.00507   2.09615
   A57        2.09696   0.00131   0.00135   0.00744   0.00874   2.10571
   A58        2.14175  -0.00023  -0.00099  -0.00034  -0.00132   2.14043
   A59        2.03675   0.00172   0.00354   0.00924   0.01278   2.04953
   A60        2.10468  -0.00149  -0.00255  -0.00891  -0.01147   2.09321
   A61        2.04048   0.00030   0.00330   0.00129   0.00459   2.04507
   A62        2.11463  -0.00013  -0.00193  -0.00052  -0.00245   2.11218
   A63        2.12808  -0.00017  -0.00137  -0.00077  -0.00214   2.12594
   A64        2.13355  -0.00045  -0.00206  -0.00126  -0.00332   2.13024
   A65        2.01523   0.00037   0.00154   0.00139   0.00293   2.01816
   A66        2.13437   0.00008   0.00051  -0.00014   0.00037   2.13474
   A67        2.12694   0.00065  -0.00213   0.00294   0.00082   2.12776
   A68        2.14365  -0.00144  -0.00174  -0.00552  -0.00724   2.13640
   A69        2.01260   0.00079   0.00387   0.00258   0.00642   2.01903
   A70        2.12699   0.00059  -0.00210   0.00268   0.00060   2.12759
   A71        2.14252  -0.00137  -0.00175  -0.00522  -0.00696   2.13556
   A72        2.01367   0.00078   0.00385   0.00254   0.00637   2.02004
   A73        2.13308   0.00066  -0.00183   0.00291   0.00109   2.13417
   A74        2.13463  -0.00138  -0.00199  -0.00520  -0.00718   2.12746
   A75        2.01547   0.00072   0.00381   0.00229   0.00608   2.02155
   A76        2.13999  -0.00035  -0.00144  -0.00103  -0.00248   2.13751
   A77        2.11006  -0.00111  -0.00137  -0.00683  -0.00820   2.10187
   A78        2.03248   0.00146   0.00282   0.00787   0.01070   2.04318
   A79        2.11802  -0.00077  -0.00350  -0.00249  -0.00598   2.11204
   A80        2.05321   0.00225   0.00419   0.01230   0.01648   2.06969
   A81        2.10797  -0.00144  -0.00059  -0.00911  -0.00973   2.09824
   A82        2.03674   0.00133   0.00604   0.00423   0.01030   2.04704
   A83        2.12417  -0.00071  -0.00300  -0.00228  -0.00529   2.11888
   A84        2.12227  -0.00063  -0.00304  -0.00195  -0.00501   2.11727
   A85        2.11820  -0.00073  -0.00352  -0.00243  -0.00595   2.11225
   A86        2.10695  -0.00144  -0.00060  -0.00898  -0.00960   2.09734
   A87        2.05414   0.00220   0.00423   0.01211   0.01632   2.07047
   A88        2.13972  -0.00026  -0.00143  -0.00079  -0.00223   2.13749
   A89        2.11343  -0.00152  -0.00145  -0.00913  -0.01057   2.10285
   A90        2.02944   0.00178   0.00289   0.00994   0.01283   2.04227
   A91        2.14069  -0.00036  -0.00145  -0.00105  -0.00250   2.13818
   A92        2.10930  -0.00113  -0.00141  -0.00691  -0.00831   2.10099
   A93        2.03257   0.00148   0.00287   0.00802   0.01089   2.04347
   A94        2.11817  -0.00078  -0.00350  -0.00250  -0.00600   2.11217
   A95        2.05313   0.00226   0.00418   0.01243   0.01659   2.06972
   A96        2.10798  -0.00145  -0.00056  -0.00915  -0.00975   2.09823
   A97        2.03617   0.00134   0.00604   0.00426   0.01033   2.04649
   A98        2.12416  -0.00078  -0.00299  -0.00258  -0.00559   2.11857
   A99        2.12285  -0.00056  -0.00305  -0.00168  -0.00474   2.11812
   A100       2.11827  -0.00072  -0.00352  -0.00243  -0.00595   2.11232
   A101       2.10703  -0.00143  -0.00058  -0.00892  -0.00953   2.09750
   A102       2.05395   0.00218   0.00420   0.01201   0.01620   2.07015
   A103       2.14045  -0.00027  -0.00144  -0.00083  -0.00228   2.13817
   A104       2.11287  -0.00152  -0.00147  -0.00915  -0.01061   2.10226
   A105       2.02920   0.00179   0.00291   0.00999   0.01291   2.04210
   A106       2.13910  -0.00035  -0.00141  -0.00105  -0.00247   2.13663
   A107       2.11241  -0.00094  -0.00120  -0.00582  -0.00702   2.10539
   A108       2.03126   0.00129   0.00262   0.00690   0.00952   2.04078
   A109       2.11756  -0.00069  -0.00351  -0.00215  -0.00566   2.11190
   A110       2.05361   0.00217   0.00422   0.01191   0.01611   2.06972
   A111       2.10819  -0.00145  -0.00060  -0.00906  -0.00970   2.09849
   A112       2.03723   0.00128   0.00601   0.00398   0.01002   2.04726
   A113       2.12366  -0.00059  -0.00296  -0.00180  -0.00477   2.11888
   A114       2.12229  -0.00069  -0.00305  -0.00218  -0.00525   2.11704
   A115       2.11848  -0.00074  -0.00349  -0.00249  -0.00598   2.11250
   A116       2.10772  -0.00145  -0.00062  -0.00905  -0.00970   2.09802
   A117       2.05330   0.00223   0.00422   0.01229   0.01649   2.06979
   A118       2.13850  -0.00022  -0.00142  -0.00055  -0.00198   2.13652
   A119       2.11095  -0.00138  -0.00135  -0.00827  -0.00962   2.10133
   A120       2.03339   0.00160   0.00278   0.00889   0.01167   2.04506
   A121       2.19487   0.00193  -0.00091   0.00602   0.00510   2.19996
   A122       2.19588   0.00155  -0.00085   0.00445   0.00359   2.19947
   A123       1.89244  -0.00348   0.00175  -0.01047  -0.00869   1.88375
   A124       2.19580   0.00164  -0.00082   0.00479   0.00395   2.19975
   A125       2.19492   0.00185  -0.00086   0.00567   0.00480   2.19972
   A126       1.89246  -0.00349   0.00168  -0.01045  -0.00875   1.88371
   A127       2.19519   0.00176  -0.00084   0.00529   0.00444   2.19963
   A128       2.19546   0.00174  -0.00088   0.00519   0.00430   2.19977
   A129       1.89253  -0.00350   0.00172  -0.01048  -0.00874   1.88379
   A130       1.89695   0.00100  -0.00162   0.00515   0.00353   1.90048
   A131       2.29155  -0.00200  -0.00318  -0.00831  -0.01150   2.28006
   A132       2.09093   0.00099   0.00482   0.00291   0.00775   2.09868
   A133       1.86921   0.00076   0.00078   0.00011   0.00088   1.87009
   A134       2.10955  -0.00130  -0.00341  -0.00337  -0.00676   2.10278
   A135       2.30437   0.00054   0.00262   0.00323   0.00585   2.31022
   A136       1.86919   0.00076   0.00078   0.00013   0.00090   1.87009
   A137       2.30440   0.00052   0.00263   0.00315   0.00577   2.31017
   A138       2.10952  -0.00128  -0.00341  -0.00331  -0.00671   2.10281
   A139       1.89693   0.00097  -0.00162   0.00509   0.00347   1.90040
   A140       2.29150  -0.00194  -0.00320  -0.00810  -0.01131   2.28019
   A141       2.09097   0.00096   0.00484   0.00277   0.00762   2.09859
   A142       1.89727   0.00097  -0.00166   0.00509   0.00342   1.90069
   A143       2.29148  -0.00189  -0.00317  -0.00792  -0.01109   2.28039
   A144       2.09067   0.00091   0.00485   0.00260   0.00746   2.09814
   A145       1.86889   0.00075   0.00079   0.00013   0.00090   1.86979
   A146       2.10949  -0.00126  -0.00343  -0.00322  -0.00663   2.10286
   A147       2.30473   0.00051   0.00264   0.00306   0.00569   2.31042
   A148       1.86896   0.00073   0.00080   0.00003   0.00081   1.86977
   A149       2.30459   0.00055   0.00263   0.00327   0.00588   2.31048
   A150       2.10956  -0.00129  -0.00342  -0.00333  -0.00673   2.10283
   A151       1.89717   0.00103  -0.00167   0.00526   0.00358   1.90075
   A152       2.29147  -0.00202  -0.00314  -0.00837  -0.01153   2.27995
   A153       2.09081   0.00098   0.00484   0.00288   0.00774   2.09855
   A154       1.89696   0.00099  -0.00164   0.00513   0.00349   1.90044
   A155       2.29135  -0.00195  -0.00318  -0.00809  -0.01128   2.28007
   A156       2.09109   0.00095   0.00485   0.00273   0.00759   2.09868
   A157       1.86911   0.00076   0.00079   0.00013   0.00090   1.87001
   A158       2.10947  -0.00127  -0.00342  -0.00327  -0.00667   2.10280
   A159       2.30453   0.00051   0.00263   0.00311   0.00573   2.31026
   A160       1.86910   0.00076   0.00079   0.00012   0.00089   1.86999
   A161       2.30457   0.00051   0.00263   0.00311   0.00573   2.31031
   A162       2.10945  -0.00127  -0.00342  -0.00326  -0.00666   2.10279
   A163       1.89704   0.00099  -0.00165   0.00514   0.00349   1.90053
   A164       2.29151  -0.00194  -0.00317  -0.00809  -0.01127   2.28024
   A165       2.09090   0.00094   0.00484   0.00271   0.00755   2.09845
   A166       2.07749   0.00052   0.00047   0.00151   0.00198   2.07947
   A167       2.10011  -0.00040  -0.00153  -0.00136  -0.00288   2.09723
   A168       2.10549  -0.00012   0.00106  -0.00016   0.00090   2.10639
   A169       2.09334   0.00037   0.00084   0.00079   0.00160   2.09495
   A170       2.09554   0.00001  -0.00031   0.00085   0.00055   2.09609
   A171       2.09383  -0.00038  -0.00050  -0.00147  -0.00197   2.09186
   A172       2.12485   0.00002   0.00062  -0.00010   0.00050   2.12535
   A173       2.08867  -0.00026   0.00066  -0.00156  -0.00092   2.08776
   A174       2.06945   0.00025  -0.00126   0.00182   0.00056   2.07001
   A175       2.06728  -0.00058  -0.00330  -0.00143  -0.00473   2.06255
   A176       2.14307  -0.00127  -0.00133  -0.00804  -0.00938   2.13369
   A177       2.07182   0.00186   0.00467   0.00970   0.01436   2.08618
   A178       2.06730  -0.00059  -0.00329  -0.00150  -0.00479   2.06252
   A179       2.14302  -0.00126  -0.00131  -0.00798  -0.00931   2.13371
   A180       2.07190   0.00187   0.00464   0.00976   0.01439   2.08629
   A181       2.12487   0.00002   0.00062  -0.00011   0.00049   2.12537
   A182       2.06947   0.00024  -0.00126   0.00179   0.00052   2.06999
   A183       2.08865  -0.00025   0.00066  -0.00152  -0.00088   2.08777
   A184       2.09335   0.00037   0.00083   0.00080   0.00161   2.09496
   A185       2.09387  -0.00038  -0.00050  -0.00146  -0.00197   2.09190
   A186       2.09552   0.00001  -0.00030   0.00084   0.00054   2.09607
   A187       2.07747   0.00052   0.00048   0.00151   0.00199   2.07946
   A188       2.10010  -0.00039  -0.00153  -0.00135  -0.00287   2.09723
   A189       2.10553  -0.00012   0.00105  -0.00016   0.00088   2.10641
   A190       2.07753   0.00051   0.00048   0.00147   0.00195   2.07948
   A191       2.10005  -0.00039  -0.00152  -0.00132  -0.00284   2.09720
   A192       2.10552  -0.00012   0.00105  -0.00015   0.00090   2.10641
   A193       2.09325   0.00037   0.00083   0.00081   0.00163   2.09487
   A194       2.09558   0.00001  -0.00030   0.00085   0.00055   2.09613
   A195       2.09390  -0.00038  -0.00050  -0.00148  -0.00199   2.09191
   A196       2.12502   0.00003   0.00063  -0.00009   0.00052   2.12555
   A197       2.08861  -0.00026   0.00065  -0.00156  -0.00092   2.08769
   A198       2.06935   0.00024  -0.00126   0.00180   0.00053   2.06988
   A199       2.06729  -0.00059  -0.00330  -0.00150  -0.00480   2.06248
   A200       2.14282  -0.00127  -0.00132  -0.00804  -0.00937   2.13345
   A201       2.07209   0.00188   0.00465   0.00980   0.01445   2.08654
   A202       2.06753  -0.00057  -0.00330  -0.00136  -0.00467   2.06287
   A203       2.14249  -0.00128  -0.00136  -0.00807  -0.00944   2.13304
   A204       2.07219   0.00186   0.00470   0.00969   0.01438   2.08657
   A205       2.12486   0.00004   0.00063  -0.00005   0.00056   2.12542
   A206       2.06952   0.00025  -0.00125   0.00184   0.00058   2.07011
   A207       2.08860  -0.00028   0.00064  -0.00164  -0.00100   2.08759
   A208       2.09319   0.00037   0.00083   0.00075   0.00155   2.09474
   A209       2.09394  -0.00037  -0.00049  -0.00144  -0.00193   2.09201
   A210       2.09560   0.00001  -0.00030   0.00087   0.00056   2.09616
   A211       2.07771   0.00052   0.00049   0.00152   0.00201   2.07971
   A212       2.09995  -0.00039  -0.00153  -0.00134  -0.00288   2.09707
   A213       2.10544  -0.00013   0.00105  -0.00018   0.00087   2.10631
   A214       2.07761   0.00052   0.00049   0.00151   0.00200   2.07960
   A215       2.10001  -0.00040  -0.00153  -0.00135  -0.00288   2.09713
   A216       2.10548  -0.00012   0.00105  -0.00017   0.00088   2.10636
   A217       2.09330   0.00037   0.00083   0.00076   0.00156   2.09486
   A218       2.09553   0.00002  -0.00029   0.00088   0.00058   2.09611
   A219       2.09391  -0.00037  -0.00050  -0.00145  -0.00196   2.09196
   A220       2.12485   0.00003   0.00062  -0.00008   0.00052   2.12536
   A221       2.08866  -0.00026   0.00065  -0.00157  -0.00092   2.08773
   A222       2.06949   0.00024  -0.00125   0.00180   0.00054   2.07003
   A223       2.06739  -0.00057  -0.00329  -0.00140  -0.00469   2.06270
   A224       2.14278  -0.00127  -0.00132  -0.00799  -0.00932   2.13345
   A225       2.07205   0.00185   0.00465   0.00966   0.01430   2.08635
   A226       2.06712  -0.00058  -0.00330  -0.00143  -0.00473   2.06239
   A227       2.14307  -0.00124  -0.00131  -0.00783  -0.00916   2.13392
   A228       2.07199   0.00183   0.00465   0.00952   0.01416   2.08615
   A229       2.12495   0.00003   0.00063  -0.00007   0.00053   2.12549
   A230       2.06928   0.00024  -0.00126   0.00180   0.00053   2.06981
   A231       2.08874  -0.00026   0.00066  -0.00157  -0.00093   2.08781
   A232       2.09338   0.00037   0.00083   0.00076   0.00157   2.09495
   A233       2.09383  -0.00038  -0.00050  -0.00145  -0.00195   2.09187
   A234       2.09551   0.00002  -0.00030   0.00087   0.00057   2.09608
   A235       2.07742   0.00052   0.00048   0.00151   0.00199   2.07941
   A236       2.10012  -0.00040  -0.00153  -0.00136  -0.00289   2.09724
   A237       2.10554  -0.00012   0.00106  -0.00016   0.00090   2.10644
    D1       -0.00428   0.00006   0.00012   0.00140   0.00152  -0.00276
    D2        3.11419   0.00006   0.00029   0.00179   0.00207   3.11626
    D3        3.13926  -0.00000   0.00002  -0.00018  -0.00015   3.13911
    D4       -0.02545   0.00000   0.00019   0.00021   0.00040  -0.02505
    D5       -0.00199  -0.00005  -0.00006  -0.00135  -0.00141  -0.00340
    D6        3.12728  -0.00015  -0.00013  -0.00390  -0.00401   3.12327
    D7        3.13765   0.00001   0.00003   0.00023   0.00026   3.13791
    D8       -0.01626  -0.00009  -0.00004  -0.00232  -0.00234  -0.01861
    D9        3.04144  -0.00115  -0.00114  -0.02882  -0.02997   3.01147
   D10       -0.10104  -0.00113  -0.00114  -0.02841  -0.02956  -0.13060
   D11       -0.09810  -0.00121  -0.00126  -0.03048  -0.03173  -0.12983
   D12        3.04260  -0.00119  -0.00125  -0.03007  -0.03132   3.01128
   D13        0.00927  -0.00002  -0.00009  -0.00027  -0.00037   0.00890
   D14       -3.13694   0.00029   0.00050   0.00763   0.00808  -3.12886
   D15       -3.10913  -0.00003  -0.00030  -0.00068  -0.00097  -3.11010
   D16        0.02784   0.00028   0.00030   0.00721   0.00748   0.03532
   D17       -0.00798  -0.00002  -0.00002  -0.00095  -0.00095  -0.00892
   D18        3.13039  -0.00013  -0.00007  -0.00286  -0.00292   3.12746
   D19        3.13810  -0.00032  -0.00057  -0.00861  -0.00916   3.12894
   D20       -0.00672  -0.00043  -0.00062  -0.01052  -0.01113  -0.01786
   D21       -3.12469  -0.00003  -0.00014  -0.00068  -0.00080  -3.12549
   D22        0.02920   0.00014   0.00004   0.00303   0.00305   0.03225
   D23        0.01221   0.00029   0.00047   0.00734   0.00778   0.01999
   D24       -3.11709   0.00045   0.00065   0.01105   0.01163  -3.10546
   D25        0.00219   0.00002   0.00004   0.00099   0.00101   0.00320
   D26       -3.13393   0.00000  -0.00001   0.00043   0.00041  -3.13351
   D27       -3.13619   0.00013   0.00009   0.00288   0.00297  -3.13322
   D28        0.01088   0.00011   0.00004   0.00232   0.00237   0.01325
   D29       -0.00423  -0.00003  -0.00002  -0.00150  -0.00146  -0.00570
   D30       -3.11636   0.00000  -0.00027  -0.00329  -0.00347  -3.11983
   D31        3.13409  -0.00014  -0.00007  -0.00342  -0.00344   3.13065
   D32        0.02196  -0.00010  -0.00032  -0.00521  -0.00545   0.01651
   D33        0.00295   0.00002  -0.00001   0.00020   0.00019   0.00315
   D34       -3.12678   0.00013   0.00009   0.00278   0.00289  -3.12389
   D35        3.13906   0.00002   0.00002   0.00068   0.00070   3.13976
   D36        0.00933   0.00014   0.00012   0.00326   0.00339   0.01272
   D37       -0.00655   0.00033   0.00035   0.00791   0.00825   0.00170
   D38       -3.12901   0.00077   0.00104   0.01784   0.01890  -3.11011
   D39        3.12326   0.00017   0.00017   0.00434   0.00453   3.12779
   D40        0.00080   0.00061   0.00085   0.01428   0.01517   0.01598
   D41        3.13368  -0.00051  -0.00071  -0.01182  -0.01248   3.12120
   D42        0.02103  -0.00023  -0.00041  -0.00522  -0.00561   0.01542
   D43        0.00414  -0.00035  -0.00054  -0.00818  -0.00869  -0.00455
   D44       -3.10851  -0.00007  -0.00023  -0.00157  -0.00182  -3.11033
   D45       -0.00469  -0.00082  -0.00102  -0.02050  -0.02154  -0.02623
   D46       -3.13551  -0.00064  -0.00076  -0.01940  -0.02015   3.12752
   D47        3.11707  -0.00127  -0.00172  -0.03075  -0.03249   3.08459
   D48       -0.01375  -0.00108  -0.00146  -0.02965  -0.03109  -0.04484
   D49       -0.00492  -0.00049  -0.00068  -0.01136  -0.01203  -0.01695
   D50        3.12331  -0.00106  -0.00151  -0.02502  -0.02646   3.09686
   D51       -3.12685  -0.00004   0.00003  -0.00116  -0.00106  -3.12791
   D52        0.00138  -0.00061  -0.00080  -0.01481  -0.01549  -0.01411
   D53        0.01010   0.00067   0.00085   0.01729   0.01815   0.02825
   D54        3.12115   0.00065   0.00106   0.01919   0.02024   3.14138
   D55        3.14140   0.00050   0.00060   0.01623   0.01681  -3.12497
   D56       -0.03074   0.00047   0.00081   0.01814   0.01890  -0.01184
   D57       -3.12890   0.00011  -0.00043  -0.01748  -0.01784   3.13645
   D58       -0.08136   0.00075   0.00207   0.03314   0.03489  -0.04648
   D59        1.36502  -0.00356  -0.00416  -0.07241  -0.07650   1.28852
   D60        0.02297   0.00028  -0.00020  -0.01645  -0.01657   0.00640
   D61        3.07050   0.00092   0.00231   0.03417   0.03616   3.10666
   D62       -1.76630  -0.00339  -0.00392  -0.07138  -0.07522  -1.84153
   D63       -3.13869  -0.00086  -0.00086  -0.01017  -0.01109   3.13341
   D64        0.03355  -0.00082  -0.00106  -0.01201  -0.01310   0.02046
   D65       -0.00483  -0.00007  -0.00004  -0.00152  -0.00158  -0.00641
   D66       -3.14079   0.00005   0.00014   0.00113   0.00127  -3.13952
   D67        3.10784  -0.00035  -0.00038  -0.00815  -0.00853   3.09932
   D68       -0.02811  -0.00024  -0.00020  -0.00549  -0.00568  -0.03379
   D69        0.00056   0.00021   0.00027   0.00502   0.00530   0.00586
   D70        3.13851   0.00030   0.00051   0.00682   0.00735  -3.13732
   D71        3.13653   0.00010   0.00009   0.00236   0.00243   3.13896
   D72       -0.00870   0.00018   0.00032   0.00416   0.00449  -0.00421
   D73        3.04662  -0.00122  -0.00127  -0.03047  -0.03174   3.01488
   D74       -0.09530  -0.00120  -0.00124  -0.03000  -0.03123  -0.12653
   D75       -0.08906  -0.00110  -0.00109  -0.02769  -0.02878  -0.11784
   D76        3.05221  -0.00108  -0.00106  -0.02721  -0.02828   3.02393
   D77        0.00426   0.00007   0.00010   0.00147   0.00156   0.00582
   D78       -3.12455   0.00063   0.00090   0.01464   0.01566  -3.10889
   D79       -3.13383  -0.00000  -0.00011  -0.00023  -0.00040  -3.13423
   D80        0.02054   0.00056   0.00069   0.01294   0.01370   0.03424
   D81       -0.01842  -0.00064  -0.00021   0.00914   0.00888  -0.00954
   D82        3.12832  -0.00068  -0.00042   0.00639   0.00597   3.13429
   D83       -3.06764  -0.00121  -0.00242  -0.04033  -0.04272  -3.11036
   D84        0.07910  -0.00125  -0.00262  -0.04308  -0.04562   0.03347
   D85        1.76996   0.00382   0.00372   0.06834   0.07192   1.84188
   D86       -1.36649   0.00378   0.00351   0.06560   0.06901  -1.29747
   D87        0.02043   0.00026   0.00003  -0.00234  -0.00230   0.01814
   D88       -3.14009   0.00000  -0.00018  -0.00405  -0.00422   3.13888
   D89       -3.12616   0.00029   0.00022   0.00031   0.00052  -3.12564
   D90       -0.00349   0.00004   0.00001  -0.00140  -0.00140  -0.00490
   D91        3.13676   0.00006   0.00026   0.00524   0.00549  -3.14094
   D92        0.01104   0.00061   0.00122   0.01651   0.01768   0.02873
   D93        0.00045   0.00003   0.00007   0.00244   0.00252   0.00297
   D94       -3.12527   0.00057   0.00103   0.01371   0.01471  -3.11056
   D95       -0.02823   0.00043   0.00062   0.00395   0.00460  -0.02363
   D96        3.13249   0.00070   0.00083   0.00571   0.00658   3.13907
   D97        0.00627  -0.00008  -0.00009  -0.00085  -0.00094   0.00533
   D98        3.14003  -0.00011  -0.00024  -0.00299  -0.00323   3.13680
   D99        3.12927  -0.00034  -0.00027  -0.00255  -0.00282   3.12645
   D100      -0.02016  -0.00036  -0.00043  -0.00469  -0.00511  -0.02526
   D101       0.00008  -0.00004  -0.00008  -0.00131  -0.00139  -0.00131
   D102      -3.13957   0.00013   0.00035   0.00208   0.00247  -3.13709
   D103       3.12584  -0.00061  -0.00104  -0.01268  -0.01378   3.11206
   D104      -0.01381  -0.00044  -0.00061  -0.00929  -0.00991  -0.02372
   D105       0.00245   0.00001   0.00002  -0.00085  -0.00084   0.00161
   D106      -3.13876   0.00003   0.00014   0.00051   0.00065  -3.13811
   D107      -3.14116  -0.00017  -0.00044  -0.00435  -0.00477   3.13725
   D108       0.00081  -0.00014  -0.00032  -0.00299  -0.00329  -0.00247
   D109      -0.00566   0.00006   0.00006   0.00193   0.00200  -0.00366
   D110      -3.13889   0.00009   0.00023   0.00420   0.00444  -3.13445
   D111       3.13554   0.00003  -0.00006   0.00055   0.00050   3.13605
   D112       0.00231   0.00006   0.00011   0.00283   0.00294   0.00525
   D113       0.03901   0.00054   0.00051   0.01318   0.01368   0.05269
   D114      -3.10332   0.00054   0.00053   0.01326   0.01379  -3.08952
   D115      -3.10218   0.00057   0.00064   0.01461   0.01524  -3.08694
   D116       0.03868   0.00057   0.00066   0.01469   0.01535   0.05403
   D117      -3.14148   0.00005   0.00008   0.00138   0.00148  -3.14000
   D118      -0.03912   0.00016   0.00064   0.00364   0.00429  -0.03483
   D119       0.00094   0.00004   0.00008   0.00101   0.00110   0.00205
   D120       3.10330   0.00014   0.00063   0.00326   0.00391   3.10721
   D121       3.13581   0.00006   0.00013   0.00163   0.00178   3.13759
   D122      -0.04654   0.00009   0.00048   0.00189   0.00239  -0.04414
   D123      -0.00662   0.00008   0.00014   0.00202   0.00217  -0.00445
   D124       3.09422   0.00011   0.00048   0.00227   0.00278   3.09700
   D125       3.14092   0.00005   0.00008   0.00127   0.00136  -3.14091
   D126      -0.04070   0.00007   0.00047   0.00164   0.00213  -0.03857
   D127      -0.00038   0.00003   0.00005   0.00083   0.00089   0.00052
   D128       3.10120   0.00005   0.00044   0.00120   0.00166   3.10286
   D129       3.13612   0.00007   0.00012   0.00172   0.00186   3.13798
   D130      -0.04420   0.00012   0.00055   0.00269   0.00326  -0.04094
   D131      -0.00578   0.00009   0.00015   0.00216   0.00233  -0.00345
   D132       3.09709   0.00014   0.00058   0.00314   0.00373   3.10082
   D133      -3.13921  -0.00006  -0.00010  -0.00160  -0.00171  -3.14092
   D134       0.03466  -0.00011  -0.00045  -0.00262  -0.00309   0.03157
   D135       0.00307  -0.00007  -0.00012  -0.00168  -0.00181   0.00126
   D136      -3.10624  -0.00011  -0.00047  -0.00270  -0.00319  -3.10943
   D137      -3.13744  -0.00007  -0.00015  -0.00190  -0.00206  -3.13951
   D138       0.03357  -0.00020  -0.00064  -0.00476  -0.00542   0.02815
   D139       0.00346  -0.00007  -0.00012  -0.00182  -0.00196   0.00150
   D140      -3.10871  -0.00020  -0.00062  -0.00468  -0.00532  -3.11403
   D141       0.00584  -0.00012  -0.00023  -0.00297  -0.00320   0.00263
   D142       3.05228   0.00013   0.00095   0.00484   0.00588   3.05816
   D143      -3.09740  -0.00009  -0.00051  -0.00301  -0.00355  -3.10095
   D144      -0.05096   0.00016   0.00067   0.00479   0.00553  -0.04543
   D145      -0.00502   0.00008   0.00016   0.00201   0.00218  -0.00284
   D146       3.13793   0.00009   0.00014   0.00232   0.00247   3.14040
   D147      -3.04849  -0.00038  -0.00134  -0.00721  -0.00848  -3.05697
   D148       0.09447  -0.00036  -0.00135  -0.00690  -0.00818   0.08628
   D149      -0.00101   0.00004   0.00005   0.00093   0.00099  -0.00002
   D150      -3.04570  -0.00042  -0.00148  -0.00844  -0.00984  -3.05554
   D151       3.13922   0.00002   0.00007   0.00063   0.00070   3.13992
   D152       0.09454  -0.00044  -0.00147  -0.00874  -0.01014   0.08440
   D153       0.50324   0.00585   0.00529   0.12969   0.13498   0.63822
   D154      -2.63625   0.00583   0.00524   0.12925   0.13450  -2.50175
   D155      -2.63692   0.00586   0.00526   0.13001   0.13528  -2.50165
   D156       0.50677   0.00585   0.00522   0.12957   0.13479   0.64156
   D157       0.00662  -0.00012  -0.00023  -0.00311  -0.00335   0.00327
   D158      -3.09798  -0.00011  -0.00054  -0.00366  -0.00423  -3.10221
   D159       3.05413   0.00014   0.00099   0.00488   0.00596   3.06009
   D160      -0.05048   0.00015   0.00068   0.00433   0.00508  -0.04540
   D161       0.00501  -0.00011  -0.00024  -0.00292  -0.00317   0.00184
   D162       3.05238   0.00018   0.00104   0.00602   0.00716   3.05953
   D163      -3.09896  -0.00016  -0.00068  -0.00478  -0.00550  -3.10446
   D164      -0.05159   0.00014   0.00061   0.00416   0.00483  -0.04676
   D165      -0.00522   0.00007   0.00015   0.00171   0.00186  -0.00336
   D166       3.13718   0.00009   0.00015   0.00230   0.00245   3.13962
   D167      -3.04965  -0.00044  -0.00146  -0.00867  -0.01005  -3.05970
   D168       0.09275  -0.00041  -0.00146  -0.00809  -0.00946   0.08329
   D169      -0.00034   0.00005   0.00008   0.00127   0.00135   0.00101
   D170      -3.04448  -0.00038  -0.00141  -0.00747  -0.00881  -3.05329
   D171       3.14045   0.00002   0.00008   0.00068   0.00077   3.14121
   D172       0.09631  -0.00041  -0.00141  -0.00806  -0.00939   0.08691
   D173      -2.63614   0.00592   0.00531   0.13103   0.13634  -2.49979
   D174       0.50465   0.00590   0.00532   0.13082   0.13615   0.64080
   D175       0.50630   0.00594   0.00531   0.13164   0.13695   0.64325
   D176      -2.63610   0.00593   0.00531   0.13144   0.13675  -2.49935
   D177       0.00649  -0.00013  -0.00024  -0.00323  -0.00347   0.00302
   D178      -3.09617  -0.00008  -0.00047  -0.00306  -0.00356  -3.09973
   D179       3.05349   0.00010   0.00093   0.00415   0.00517   3.05865
   D180      -0.04917   0.00015   0.00070   0.00431   0.00508  -0.04410
   D181      -0.00679   0.00014   0.00028   0.00356   0.00384  -0.00295
   D182      -3.05517  -0.00012  -0.00092  -0.00446  -0.00547  -3.06064
   D183       3.10393   0.00015   0.00055   0.00432   0.00490   3.10882
   D184       0.05555  -0.00011  -0.00065  -0.00370  -0.00442   0.05113
   D185       0.00374  -0.00007  -0.00013  -0.00181  -0.00195   0.00179
   D186      -3.13830  -0.00009  -0.00015  -0.00220  -0.00237  -3.14067
   D187       3.04922   0.00039   0.00138   0.00758   0.00889   3.05811
   D188      -0.09283   0.00037   0.00136   0.00719   0.00847  -0.08435
   D189       0.00267  -0.00006  -0.00012  -0.00163  -0.00176   0.00091
   D190       3.04989   0.00043   0.00147   0.00862   0.01001   3.05991
   D191      -3.13847  -0.00005  -0.00010  -0.00123  -0.00134  -3.13981
   D192      -0.09125   0.00045   0.00149   0.00902   0.01043  -0.08082
   D193       2.63521  -0.00584  -0.00521  -0.12930  -0.13451   2.50070
   D194      -0.50555  -0.00585  -0.00523  -0.12966  -0.13489  -0.64045
   D195      -0.50686  -0.00585  -0.00523  -0.12972  -0.13494  -0.64180
   D196       2.63556  -0.00587  -0.00526  -0.13007  -0.13532   2.50024
   D197      -0.00644   0.00014   0.00027   0.00354   0.00382  -0.00262
   D198       3.10696   0.00022   0.00068   0.00602   0.00674   3.11370
   D199      -3.05650  -0.00016  -0.00101  -0.00532  -0.00642  -3.06292
   D200       0.05690  -0.00008  -0.00060  -0.00284  -0.00350   0.05340
   D201      -3.13961  -0.00007  -0.00018  -0.00115  -0.00134  -3.14095
   D202       0.09770  -0.00001  -0.00080   0.00143   0.00062   0.09832
   D203       0.00267  -0.00006  -0.00019  -0.00098  -0.00118   0.00149
   D204      -3.04320  -0.00001  -0.00080   0.00160   0.00078  -3.04242
   D205      -3.13815  -0.00008  -0.00016  -0.00127  -0.00144  -3.13959
   D206       0.09879  -0.00002  -0.00077   0.00133   0.00054   0.09933
   D207       0.00275  -0.00008  -0.00015  -0.00144  -0.00160   0.00115
   D208      -3.04349  -0.00003  -0.00077   0.00116   0.00037  -3.04311
   D209      -3.13795  -0.00011  -0.00021  -0.00208  -0.00230  -3.14025
   D210       0.09925  -0.00005  -0.00080   0.00071  -0.00011   0.09914
   D211       0.00184  -0.00009  -0.00017  -0.00169  -0.00187  -0.00003
   D212      -3.04414  -0.00003  -0.00077   0.00110   0.00031  -3.04383
   D213      -3.13993  -0.00003  -0.00014  -0.00035  -0.00049  -3.14042
   D214       0.09769   0.00003  -0.00073   0.00241   0.00166   0.09934
   D215       0.00346  -0.00005  -0.00017  -0.00074  -0.00092   0.00254
   D216      -3.04211   0.00001  -0.00077   0.00202   0.00123  -3.04088
   D217       3.13891   0.00005   0.00013   0.00063   0.00077   3.13968
   D218      -0.09870  -0.00001   0.00075  -0.00196  -0.00118  -0.09988
   D219      -0.00339   0.00006   0.00016   0.00094   0.00110  -0.00229
   D220       3.04219   0.00001   0.00078  -0.00165  -0.00085   3.04134
   D221       3.13893   0.00010   0.00021   0.00180   0.00202   3.14095
   D222      -0.09811   0.00003   0.00081  -0.00101  -0.00018  -0.09828
   D223      -0.00195   0.00008   0.00019   0.00149   0.00169  -0.00027
   D224       3.04419   0.00002   0.00079  -0.00132  -0.00050   3.04369
   D225      -0.00629   0.00020   0.00044   0.00340   0.00386  -0.00242
   D226      -3.13716   0.00030   0.00048   0.00591   0.00640  -3.13077
   D227       3.05256  -0.00005   0.00049   0.00024   0.00074   3.05330
   D228      -0.07831   0.00005   0.00052   0.00275   0.00327  -0.07504
   D229       3.11281  -0.00025  -0.00047  -0.00783  -0.00828   3.10452
   D230       0.01902  -0.00062  -0.00143  -0.01513  -0.01650   0.00252
   D231       0.07561  -0.00015  -0.00077  -0.00478  -0.00554   0.07007
   D232      -3.01818  -0.00052  -0.00173  -0.01208  -0.01376  -3.03194
   D233       0.00829  -0.00022  -0.00052  -0.00382  -0.00436   0.00393
   D234       3.13646  -0.00037  -0.00062  -0.00704  -0.00770   3.12876
   D235       3.13750  -0.00036  -0.00061  -0.00678  -0.00743   3.13007
   D236      -0.01752  -0.00050  -0.00072  -0.01000  -0.01077  -0.02829
   D237       0.02626   0.00004  -0.00017   0.00008  -0.00006   0.02620
   D238      -3.12926   0.00002  -0.00003   0.00014   0.00013  -3.12913
   D239      -3.10154   0.00017  -0.00010   0.00335   0.00328  -3.09826
   D240       0.02612   0.00015   0.00005   0.00342   0.00347   0.02960
   D241      -0.00728   0.00017   0.00044   0.00281   0.00327  -0.00401
   D242       3.05121  -0.00007   0.00048  -0.00030   0.00019   3.05140
   D243      -3.13725   0.00028   0.00048   0.00554   0.00602  -3.13123
   D244      -0.07877   0.00004   0.00052   0.00243   0.00294  -0.07583
   D245      -3.10014   0.00019  -0.00008   0.00384   0.00378  -3.09635
   D246       0.02656   0.00016   0.00004   0.00356   0.00361   0.03017
   D247       0.02650   0.00005  -0.00016   0.00028   0.00015   0.02666
   D248      -3.12998   0.00001  -0.00004   0.00001  -0.00002  -3.13001
   D249       3.11271  -0.00024  -0.00049  -0.00769  -0.00816   3.10455
   D250       0.02014  -0.00056  -0.00136  -0.01378  -0.01509   0.00505
   D251       0.07597  -0.00015  -0.00079  -0.00468  -0.00546   0.07051
   D252      -3.01660  -0.00047  -0.00166  -0.01078  -0.01240  -3.02899
   D253      -0.00689   0.00018   0.00045   0.00295   0.00342  -0.00348
   D254      -3.13732   0.00028   0.00048   0.00555   0.00603  -3.13129
   D255       3.05186  -0.00005   0.00051   0.00001   0.00053   3.05239
   D256      -0.07857   0.00005   0.00054   0.00262   0.00315  -0.07542
   D257       3.11295  -0.00024  -0.00047  -0.00768  -0.00814   3.10481
   D258       0.01957  -0.00059  -0.00140  -0.01439  -0.01574   0.00383
   D259       0.07586  -0.00016  -0.00080  -0.00488  -0.00567   0.07019
   D260      -3.01752  -0.00051  -0.00172  -0.01159  -0.01326  -3.03078
   D261       0.00846  -0.00022  -0.00051  -0.00380  -0.00434   0.00412
   D262       3.13731  -0.00036  -0.00061  -0.00682  -0.00746   3.12985
   D263       3.13714  -0.00036  -0.00060  -0.00687  -0.00751   3.12964
   D264      -0.01719  -0.00050  -0.00070  -0.00989  -0.01063  -0.02782
   D265       0.02636   0.00005  -0.00017   0.00027   0.00013   0.02650
   D266      -3.12957   0.00002  -0.00003   0.00017   0.00015  -3.12942
   D267      -3.10085   0.00018  -0.00010   0.00366   0.00359  -3.09727
   D268       0.02639   0.00016   0.00004   0.00356   0.00361   0.03000
   D269      -0.00695   0.00019   0.00043   0.00323   0.00368  -0.00327
   D270       3.05212  -0.00005   0.00049   0.00024   0.00074   3.05286
   D271      -3.13751   0.00030   0.00047   0.00579   0.00625  -3.13126
   D272      -0.07845   0.00005   0.00053   0.00279   0.00331  -0.07513
   D273      -3.10115   0.00018  -0.00009   0.00353   0.00347  -3.09768
   D274       0.02619   0.00015   0.00004   0.00337   0.00342   0.02961
   D275       0.02625   0.00004  -0.00017   0.00019   0.00006   0.02631
   D276      -3.12959   0.00001  -0.00004   0.00004   0.00001  -3.12958
   D277       3.11321  -0.00024  -0.00046  -0.00781  -0.00826   3.10495
   D278       0.01994  -0.00059  -0.00138  -0.01451  -0.01584   0.00410
   D279       0.07572  -0.00016  -0.00078  -0.00498  -0.00576   0.06997
   D280      -3.01754  -0.00051  -0.00170  -0.01168  -0.01334  -3.03088
   D281       0.00726  -0.00018  -0.00044  -0.00293  -0.00338   0.00388
   D282       3.13727  -0.00028  -0.00047  -0.00557  -0.00603   3.13123
   D283      -3.05121   0.00006  -0.00050   0.00003  -0.00047  -3.05168
   D284       0.07880  -0.00005  -0.00053  -0.00260  -0.00313   0.07567
   D285      -3.11271   0.00023   0.00045   0.00745   0.00790  -3.10481
   D286      -0.01988   0.00057   0.00136   0.01394   0.01526  -0.00463
   D287      -0.07597   0.00015   0.00078   0.00464   0.00542  -0.07056
   D288       3.01686   0.00049   0.00169   0.01113   0.01278   3.02963
   D289      -0.00835   0.00022   0.00052   0.00381   0.00436  -0.00399
   D290      -3.13728   0.00035   0.00061   0.00673   0.00737  -3.12991
   D291      -3.13655   0.00036   0.00062   0.00692   0.00758  -3.12897
   D292       0.01771   0.00049   0.00071   0.00984   0.01059   0.02830
   D293      -0.02656  -0.00004   0.00018  -0.00005   0.00010  -0.02646
   D294       3.12986  -0.00001   0.00004  -0.00000   0.00003   3.12989
   D295       3.10012  -0.00018   0.00010  -0.00349  -0.00341   3.09671
   D296      -0.02664  -0.00015  -0.00003  -0.00344  -0.00348  -0.03012
   D297       0.00639  -0.00019  -0.00046  -0.00327  -0.00375   0.00264
   D298      -3.05260   0.00005  -0.00050  -0.00013  -0.00064  -3.05324
   D299       3.13703  -0.00029  -0.00049  -0.00574  -0.00623   3.13080
   D300       0.07804  -0.00005  -0.00053  -0.00260  -0.00313   0.07491
   D301       3.10145  -0.00018   0.00010  -0.00346  -0.00339   3.09806
   D302      -0.02626  -0.00015  -0.00004  -0.00343  -0.00348  -0.02974
   D303      -0.02605  -0.00004   0.00016  -0.00024  -0.00011  -0.02615
   D304       3.12943  -0.00002   0.00002  -0.00021  -0.00020   3.12923
   D305      -3.11279   0.00025   0.00048   0.00779   0.00825  -3.10453
   D306      -0.01907   0.00061   0.00144   0.01489   0.01627  -0.00279
   D307      -0.07541   0.00015   0.00078   0.00474   0.00552  -0.06989
   D308       3.01831   0.00052   0.00175   0.01184   0.01354   3.03184
   D309       0.02624  -0.00005  -0.00026  -0.00070  -0.00097   0.02527
   D310       3.13487   0.00021   0.00060   0.00535   0.00594   3.14081
   D311      -3.10041  -0.00001  -0.00035  -0.00042  -0.00076  -3.10117
   D312       0.00822   0.00025   0.00050   0.00563   0.00615   0.01437
   D313      -0.02790  -0.00010  -0.00003  -0.00176  -0.00181  -0.02971
   D314       3.09124   0.00028   0.00093   0.00631   0.00725   3.09848
   D315      -3.13656  -0.00036  -0.00090  -0.00784  -0.00874   3.13788
   D316      -0.01743   0.00001   0.00007   0.00023   0.00031  -0.01712
   D317      -0.02395   0.00022   0.00072   0.00454   0.00523  -0.01872
   D318       3.07065   0.00044   0.00137   0.00989   0.01131   3.08196
   D319       3.13985  -0.00014  -0.00028  -0.00340  -0.00371   3.13614
   D320      -0.04873   0.00008   0.00038   0.00194   0.00236  -0.04637
   D321      -0.02389   0.00021   0.00069   0.00429   0.00495  -0.01893
   D322       3.13906  -0.00018  -0.00036  -0.00424  -0.00463   3.13443
   D323       3.07189   0.00048   0.00143   0.01081   0.01229   3.08418
   D324      -0.04835   0.00010   0.00038   0.00228   0.00271  -0.04564
   D325      -0.02776  -0.00008  -0.00002  -0.00138  -0.00141  -0.02917
   D326      -3.13741  -0.00037  -0.00092  -0.00808  -0.00901   3.13677
   D327       3.09225   0.00032   0.00100   0.00728   0.00829   3.10053
   D328      -0.01740   0.00003   0.00010   0.00058   0.00069  -0.01671
   D329       0.02619  -0.00005  -0.00026  -0.00085  -0.00111   0.02508
   D330      -3.10143  -0.00003  -0.00038  -0.00091  -0.00128  -3.10270
   D331       3.13580   0.00023   0.00064   0.00582   0.00646  -3.14092
   D332       0.00818   0.00025   0.00052   0.00576   0.00629   0.01448
   D333       0.02636  -0.00006  -0.00027  -0.00096  -0.00123   0.02512
   D334       3.13540   0.00022   0.00061   0.00549   0.00610   3.14150
   D335      -3.10093  -0.00002  -0.00037  -0.00080  -0.00116  -3.10209
   D336       0.00811   0.00025   0.00051   0.00566   0.00618   0.01429
   D337      -0.02795  -0.00008  -0.00002  -0.00142  -0.00145  -0.02941
   D338       3.09166   0.00030   0.00097   0.00688   0.00784   3.09951
   D339      -3.13703  -0.00036  -0.00090  -0.00792  -0.00882   3.13733
   D340      -0.01741   0.00002   0.00008   0.00038   0.00048  -0.01694
   D341      -0.02384   0.00022   0.00070   0.00449   0.00517  -0.01868
   D342       3.07142   0.00047   0.00140   0.01043   0.01188   3.08330
   D343       3.13949  -0.00015  -0.00031  -0.00368  -0.00402   3.13547
   D344      -0.04843   0.00010   0.00039   0.00226   0.00270  -0.04574
   D345      -0.02397   0.00022   0.00071   0.00456   0.00525  -0.01873
   D346       3.13936  -0.00015  -0.00031  -0.00375  -0.00410   3.13526
   D347       3.07139   0.00047   0.00141   0.01051   0.01198   3.08337
   D348      -0.04847   0.00009   0.00039   0.00220   0.00263  -0.04583
   D349      -0.02785  -0.00009  -0.00002  -0.00161  -0.00164  -0.02949
   D350      -3.13701  -0.00037  -0.00092  -0.00808  -0.00900   3.13717
   D351       3.09178   0.00030   0.00098   0.00684   0.00781   3.09959
   D352      -0.01739   0.00002   0.00008   0.00036   0.00045  -0.01694
   D353       0.02626  -0.00005  -0.00027  -0.00086  -0.00113   0.02513
   D354      -3.10094  -0.00002  -0.00038  -0.00074  -0.00112  -3.10205
   D355       3.13540   0.00022   0.00063   0.00558   0.00620  -3.14158
   D356       0.00820   0.00025   0.00051   0.00570   0.00622   0.01441
   D357      -0.02629   0.00005   0.00027   0.00090   0.00118  -0.02511
   D358      -3.13579  -0.00023  -0.00064  -0.00573  -0.00636   3.14103
   D359       3.10137   0.00003   0.00039   0.00087   0.00125   3.10262
   D360      -0.00813  -0.00025  -0.00052  -0.00577  -0.00630  -0.01443
   D361       0.02780   0.00008   0.00001   0.00143   0.00145   0.02926
   D362      -3.09238  -0.00031  -0.00100  -0.00709  -0.00809  -3.10048
   D363       3.13733   0.00037   0.00092   0.00810   0.00903  -3.13683
   D364       0.01714  -0.00002  -0.00009  -0.00042  -0.00052   0.01663
   D365       0.02379  -0.00021  -0.00069  -0.00434  -0.00501   0.01878
   D366      -3.07190  -0.00048  -0.00144  -0.01067  -0.01216  -3.08407
   D367      -3.13898   0.00017   0.00034   0.00404   0.00442  -3.13456
   D368       0.04851  -0.00010  -0.00040  -0.00228  -0.00273   0.04578
   D369       0.02395  -0.00021  -0.00070  -0.00433  -0.00500   0.01895
   D370      -3.13979   0.00015   0.00031   0.00369   0.00402  -3.13576
   D371      -3.07090  -0.00045  -0.00139  -0.01007  -0.01151  -3.08240
   D372       0.04855  -0.00009  -0.00038  -0.00205  -0.00248   0.04607
   D373       0.02787   0.00009   0.00002   0.00160   0.00164   0.02951
   D374       3.13672   0.00036   0.00090   0.00780   0.00870  -3.13776
   D375      -3.09133  -0.00029  -0.00095  -0.00655  -0.00750  -3.09883
   D376       0.01752  -0.00002  -0.00008  -0.00034  -0.00043   0.01708
   D377      -0.02618   0.00004   0.00025   0.00064   0.00090  -0.02529
   D378       3.10054   0.00002   0.00036   0.00058   0.00093   3.10147
   D379      -3.13500  -0.00022  -0.00062  -0.00553  -0.00614  -3.14114
   D380      -0.00828  -0.00025  -0.00050  -0.00559  -0.00611  -0.01438
         Item               Value     Threshold  Converged?
 Maximum Force            0.008340     0.000450     NO 
 RMS     Force            0.001549     0.000300     NO 
 Maximum Displacement     0.972675     0.001800     NO 
 RMS     Displacement     0.166401     0.001200     NO 
 Predicted change in Energy=-1.051521D-02
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C74H46ClN5
 Framework group  C1[X(C74H46ClN5)]
 Deg. of freedom   372
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        1.264685    2.420354   -0.153694
      2          6           0        1.588854    1.056045   -0.141782
      3          6           0        0.624357    0.034491   -0.105610
      4          6           0       -0.746415    0.408667   -0.091105
      5          6           0       -1.085282    1.772850   -0.102267
      6          6           0       -0.111424    2.753447   -0.130808
      7          6           0        0.990866   -1.392475   -0.077898
      8          6           0       -0.030143   -2.390181   -0.061441
      9          6           0       -1.408827   -1.984408   -0.074360
     10          6           0       -1.794379   -0.603774   -0.071481
     11          6           0        2.326915   -1.817089   -0.047655
     12          6           0        2.712367   -3.165857    0.003086
     13          6           0        1.674484   -4.128695    0.031979
     14          6           0        0.348484   -3.748732    0.003969
     15          7           0       -2.407655   -2.892999   -0.075845
     16          6           0       -3.729907   -2.552365   -0.082041
     17          6           0       -4.040702   -1.161171   -0.074972
     18          7           0       -3.068463   -0.216368   -0.083590
     19          6           0       -4.758864   -3.509082   -0.092160
     20          6           0       -6.069314   -3.087007   -0.098724
     21          6           0       -6.434965   -1.701732   -0.094089
     22          6           0       -5.400436   -0.771565   -0.084458
     23          6           0        2.315942    3.465273   -0.189017
     24          6           0        4.137728   -3.562752    0.036049
     25          6           0       -7.857518   -1.287545   -0.097018
     26          6           0        4.534157   -4.900649    0.237940
     27          6           0        5.869062   -5.286369    0.271823
     28          6           0        6.900770   -4.343339    0.106611
     29          6           0        6.523015   -3.002253   -0.096559
     30          6           0        5.183940   -2.632827   -0.131279
     31          6           0        2.004914    4.829522   -0.356456
     32          6           0        2.980809    5.819488   -0.393253
     33          6           0        4.344539    5.498291   -0.265090
     34          6           0        4.673713    4.140471   -0.095033
     35          6           0        3.685953    3.162936   -0.057574
     36          6           0       -8.912803   -2.219681   -0.041665
     37          6           0      -10.248992   -1.834234   -0.045037
     38          6           0      -10.611223   -0.476037   -0.101216
     39          6           0       -9.568466    0.468759   -0.155732
     40          6           0       -8.238247    0.068241   -0.154838
     41          7           0        5.340794    6.495722   -0.303656
     42          7           0        8.256649   -4.724972    0.140908
     43          7           0      -11.962728   -0.075891   -0.103974
     44          6           0        8.795375   -5.926910   -0.371738
     45          6           0       10.195941   -5.937460   -0.142028
     46          6           0       10.527741   -4.698207    0.531613
     47          6           0        9.318032   -3.974201    0.695722
     48          6           0        6.619343    6.371471   -0.891823
     49          6           0        7.324664    7.591554   -0.721003
     50          6           0        6.446111    8.496107   -0.007540
     51          6           0        5.235821    7.796358    0.238309
     52          6           0      -12.492394    1.067952    0.535345
     53          6           0      -13.890374    1.122115    0.295989
     54          6           0      -14.230094   -0.030681   -0.513390
     55          6           0      -13.027350   -0.747713   -0.745934
     56          6           0       11.736168   -4.178585    1.008458
     57          6           0       11.732640   -2.956058    1.675039
     58          6           0       10.522762   -2.275219    1.888414
     59          6           0        9.306764   -2.772577    1.417727
     60          6           0        8.192656   -6.956998   -1.107191
     61          6           0        8.991265   -8.022147   -1.525725
     62          6           0       10.367339   -8.068571   -1.248013
     63          6           0       10.976839   -7.017577   -0.567690
     64          6           0        6.609135    9.811569    0.440744
     65          6           0        5.580660   10.415519    1.159197
     66          6           0        4.410565    9.695442    1.451825
     67          6           0        4.224740    8.384476    1.011261
     68          6           0        7.180030    5.332225   -1.647716
     69          6           0        8.472191    5.502637   -2.146458
     70          6           0        9.199622    6.684233   -1.927893
     71          6           0        8.621016    7.738871   -1.226625
     72          6           0      -15.439873   -0.479486   -1.054444
     73          6           0      -15.444505   -1.621816   -1.850664
     74          6           0      -14.240813   -2.290990   -2.126798
     75          6           0      -13.023623   -1.863625   -1.594559
     76          6           0      -11.885077    2.001392    1.386999
     77          6           0      -12.675311    3.023332    1.914769
     78          6           0      -14.047804    3.118542    1.631494
     79          6           0      -14.662745    2.158096    0.832642
     80          1           0       -2.176410   -3.877602   -0.108775
     81          1           0        2.631409    0.776920   -0.182850
     82          1           0       -2.133871    2.041166   -0.083262
     83          1           0       -0.429013    3.788214   -0.121350
     84          1           0        3.099759   -1.063403   -0.030279
     85          1           0        1.899761   -5.185738    0.075287
     86          1           0       -0.398032   -4.532391    0.059882
     87          1           0       -4.518764   -4.566166   -0.068407
     88          1           0       -6.837997   -3.848170   -0.102140
     89          1           0       -5.581737    0.294746   -0.073854
     90          1           0        3.793969   -5.671802    0.410703
     91          1           0        6.104399   -6.314155    0.508358
     92          1           0        7.272466   -2.253007   -0.307893
     93          1           0        4.966120   -1.590211   -0.329000
     94          1           0        0.978215    5.143911   -0.496666
     95          1           0        2.678636    6.835980   -0.601390
     96          1           0        5.697728    3.848766    0.089758
     97          1           0        4.009070    2.143494    0.116105
     98          1           0       -8.708591   -3.280301    0.034669
     99          1           0      -11.006850   -2.594938    0.075813
    100          1           0       -9.792187    1.519059   -0.276127
    101          1           0       -7.487449    0.845846   -0.225259
    102          1           0       12.659818   -4.731684    0.870628
    103          1           0       12.660485   -2.539248    2.051748
    104          1           0       10.522697   -1.342913    2.443710
    105          1           0        8.390990   -2.247903    1.649970
    106          1           0        7.148960   -6.931845   -1.386370
    107          1           0        8.530488   -8.826629   -2.089679
    108          1           0       10.957897   -8.913908   -1.584431
    109          1           0       12.045674   -7.025600   -0.379072
    110          1           0        7.532563   10.345576    0.240155
    111          1           0        5.690603   11.434574    1.514167
    112          1           0        3.629779   10.159384    2.045724
    113          1           0        3.334554    7.845412    1.302629
    114          1           0        6.632541    4.430637   -1.882847
    115          1           0        8.914994    4.700061   -2.727387
    116          1           0       10.203698    6.781891   -2.326489
    117          1           0        9.159652    8.670204   -1.083106
    118          1           0      -16.358345    0.066526   -0.863777
    119          1           0      -16.373752   -1.983608   -2.277484
    120          1           0      -14.246715   -3.158119   -2.779224
    121          1           0      -12.112111   -2.372849   -1.873273
    122          1           0      -10.845183    1.930762    1.672529
    123          1           0      -12.211085    3.752830    2.570404
    124          1           0      -14.631847    3.928115    2.055810
    125          1           0      -15.729582    2.200483    0.637318
    126         17           0       -2.215777   -3.748429    2.650903
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           0.0229242           0.0073376           0.0056850
 Standard basis: 6-31G(d,p) (6D, 7F)
 There are  1434 symmetry adapted cartesian basis functions of A   symmetry.
 There are  1434 symmetry adapted basis functions of A   symmetry.
  1434 basis functions,  2586 primitive gaussians,  1434 cartesian basis functions
   271 alpha electrons      271 beta electrons
       nuclear repulsion energy     10534.2809301554 Hartrees.
 NAtoms=  126 NActive=  126 NUniq=  126 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=T Big=T
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 One-electron integrals computed using PRISM.
 NBasis=  1434 RedAO= T EigKep=  1.41D-04  NBF=  1434
 NBsUse=  1434 1.00D-06 EigRej= -1.00D+00 NBFU=  1434
 Initial guess from the checkpoint file:  "ph.chk"
 B after Tr=     0.000000    0.000000   -0.000000
         Rot=    0.999993   -0.003592   -0.000072    0.000720 Ang=  -0.42 deg.
 ExpMin= 1.43D-01 ExpMax= 2.52D+04 ExpMxC= 3.78D+03 IAcc=2 IRadAn=         4 AccDes= 0.00D+00
 Harris functional with IExCor=  402 and IRadAn=       4 diagonalized for initial guess.
 HarFok:  IExCor=  402 AccDes= 0.00D+00 IRadAn=         4 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=        2001
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Petite list used in FoFCou.
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Integral accuracy reduced to 1.0D-05 until final iterations.
 Initial convergence to 1.0D-05 achieved.  Increase integral accuracy.
 SCF Done:  E(RB3LYP) =  -3581.72853472     A.U. after   18 cycles
            NFock= 18  Conv=0.32D-08     -V/T= 2.0090
 Calling FoFJK, ICntrl=      2127 FMM=T ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.003758981   -0.002282051    0.000311351
      2        6           0.000454915    0.001815967    0.000801014
      3        6           0.002731643    0.002281207    0.000001273
      4        6          -0.003244410   -0.001190449   -0.000125215
      5        6          -0.002309150    0.000195434   -0.000108116
      6        6           0.000011248   -0.002358246   -0.000527075
      7        6           0.002000309   -0.002221676    0.000314795
      8        6          -0.002231896    0.000913934   -0.000947579
      9        6           0.000662160    0.000768719    0.002418734
     10        6           0.002064627    0.000488833    0.001198812
     11        6           0.000735420   -0.001213239   -0.000686889
     12        6           0.003941224    0.001960781   -0.000056470
     13        6          -0.001321087    0.002680556    0.000648374
     14        6          -0.000801936    0.000054028    0.000267413
     15        7          -0.001140937    0.005117865    0.001275524
     16        6          -0.000787099    0.002536171    0.000092434
     17        6           0.000953682   -0.002120717    0.001416077
     18        7          -0.001890667   -0.002612289   -0.001193850
     19        6           0.000608122    0.001637705    0.000018308
     20        6          -0.001706133    0.000715051    0.000224129
     21        6          -0.003544504   -0.001497449   -0.000048517
     22        6           0.000877139   -0.001605002   -0.000148426
     23        6          -0.004278333    0.002811928   -0.000413669
     24        6          -0.004138230   -0.002999772   -0.000008038
     25        6           0.004475028    0.002271142    0.000099189
     26        6          -0.000737922    0.001279478   -0.000476180
     27        6          -0.001614156    0.002486232   -0.004962820
     28        6           0.005058505    0.003235065    0.000227648
     29        6           0.001269992   -0.002640942    0.004906838
     30        6           0.000578786   -0.001200515    0.000536603
     31        6          -0.000776784   -0.001308866    0.000554303
     32        6          -0.001937497   -0.002445370    0.004949286
     33        6           0.005260961   -0.002894703    0.000469363
     34        6           0.001681722    0.002574647   -0.004880895
     35        6           0.000480773    0.001161864   -0.000530696
     36        6          -0.001002780    0.001238824   -0.000245760
     37        6          -0.001111055    0.002192534   -0.005270138
     38        6          -0.004910827   -0.003215288    0.000005995
     39        6           0.001267130   -0.001862831    0.005236435
     40        6           0.000852778   -0.000912366    0.000328386
     41        7          -0.002809675    0.001502138   -0.000250380
     42        7          -0.002655716   -0.001704826   -0.000155704
     43        7           0.002582731    0.001614100   -0.000007479
     44        6          -0.003075516    0.000956812    0.003936216
     45        6           0.000871358    0.001527818   -0.001896380
     46        6           0.001678784    0.000090883    0.001981378
     47        6          -0.000353968   -0.003099825   -0.003989438
     48        6          -0.000892728    0.003203192    0.003963467
     49        6           0.001876300   -0.000011734   -0.001780428
     50        6           0.000751072   -0.001434582    0.002024406
     51        6          -0.002595105   -0.001264695   -0.004292789
     52        6           0.003268061   -0.001259200   -0.003703743
     53        6          -0.000963594   -0.001344123    0.002011203
     54        6          -0.001593325   -0.000290426   -0.002001322
     55        6           0.000169982    0.003486127    0.003733371
     56        6           0.001016625    0.001541660   -0.000959713
     57        6           0.002284598   -0.000485306    0.000810338
     58        6           0.000543011   -0.001200576    0.000889533
     59        6          -0.000913211   -0.001967436    0.000658787
     60        6          -0.002157926    0.000050588   -0.000708767
     61        6          -0.000825770    0.001037514   -0.000879589
     62        6           0.000592106    0.002291670   -0.000711724
     63        6           0.001787583    0.000210939    0.001033585
     64        6           0.001898744   -0.000121393   -0.000826934
     65        6           0.000646770   -0.002242185    0.000842104
     66        6          -0.000847111   -0.001056359    0.000820979
     67        6          -0.002217764   -0.000158455    0.000494473
     68        6          -0.000945742    0.001912153   -0.000822816
     69        6           0.000574290    0.001210635   -0.000851889
     70        6           0.002339762    0.000609843   -0.000567355
     71        6           0.000986171   -0.001452016    0.001087767
     72        6          -0.001034125   -0.001449896    0.001048793
     73        6          -0.002269894    0.000366785   -0.000927952
     74        6          -0.000504501    0.001110002   -0.001014804
     75        6           0.000924160    0.001940518   -0.000812235
     76        6           0.002106495    0.000027930    0.000850206
     77        6           0.000793244   -0.000919066    0.001012530
     78        6          -0.000611206   -0.002214444    0.000930330
     79        6          -0.001733619   -0.000335550   -0.001072825
     80        1           0.000996347   -0.001464288   -0.008502996
     81        1          -0.000075355   -0.000048548    0.000328627
     82        1           0.000625764    0.000048500    0.000035649
     83        1          -0.000331684    0.000493241   -0.000363235
     84        1          -0.000128296    0.000022051   -0.000270680
     85        1          -0.000183290   -0.000521144    0.000110172
     86        1           0.000211106    0.000006738   -0.001606177
     87        1          -0.000382673   -0.000440028   -0.000859122
     88        1           0.000486547    0.000015280    0.000127645
     89        1          -0.000129694    0.000350608   -0.000325640
     90        1           0.000612202   -0.000037817   -0.000151384
     91        1          -0.001115022   -0.002146701    0.001222995
     92        1          -0.002419175   -0.000043404   -0.001391661
     93        1           0.000238064    0.000415524    0.000184329
     94        1           0.000630846    0.000101550    0.000160023
     95        1          -0.001109349    0.002045346   -0.001430705
     96        1          -0.002573857   -0.000081685    0.001118246
     97        1           0.000266561   -0.000368707   -0.000145290
     98        1          -0.000104725   -0.000526695    0.000019996
     99        1           0.002317678    0.000188690    0.001419932
    100        1           0.001183106    0.002041556   -0.001445998
    101        1          -0.000385850    0.000029975   -0.000045511
    102        1          -0.000369457   -0.000264343    0.000026998
    103        1          -0.000437554    0.000155084   -0.000103789
    104        1          -0.000340602    0.000331063   -0.000309969
    105        1           0.001615993    0.001327828    0.001421835
    106        1           0.001941506    0.000882271   -0.001338631
    107        1           0.000143318   -0.000471252    0.000298266
    108        1          -0.000058085   -0.000466936    0.000090950
    109        1          -0.000393052   -0.000215489   -0.000049611
    110        1          -0.000405667    0.000193275   -0.000001823
    111        1          -0.000071581    0.000456132   -0.000111302
    112        1           0.000140737    0.000467018   -0.000301802
    113        1           0.001824516   -0.000739515    0.001543459
    114        1           0.001850108   -0.001281771   -0.001233028
    115        1          -0.000354568   -0.000346644    0.000273489
    116        1          -0.000432079   -0.000180729    0.000060873
    117        1          -0.000374104    0.000235943   -0.000076824
    118        1           0.000363210    0.000260559   -0.000039536
    119        1           0.000432265   -0.000135813    0.000136060
    120        1           0.000335316   -0.000297709    0.000353946
    121        1          -0.001531394   -0.001514400   -0.001352591
    122        1          -0.001988223   -0.000782524    0.001315063
    123        1          -0.000128118    0.000424631   -0.000355184
    124        1           0.000055181    0.000448345   -0.000138400
    125        1           0.000387810    0.000223341    0.000039323
    126       17           0.000234176   -0.003303818    0.006095860
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.008502996 RMS     0.001746355

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.007171582 RMS     0.001153785
 Search for a local minimum.
 Step number   5 out of a maximum of  756
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- RFO/linear search
 Update second derivatives using D2CorX and points    4    5
 DE= -1.26D-02 DEPred=-1.05D-02 R= 1.19D+00
 TightC=F SS=  1.41D+00  RLast= 5.70D-01 DXNew= 1.4270D+00 1.7089D+00
 Trust test= 1.19D+00 RLast= 5.70D-01 DXMaxT set to 1.43D+00
 ITU=  1  1  0  1  0
 Use linear search instead of GDIIS.
     Eigenvalues ---    0.01139   0.02280   0.02576   0.02592   0.02628
     Eigenvalues ---    0.02669   0.02675   0.02688   0.02690   0.02697
     Eigenvalues ---    0.02702   0.02704   0.02705   0.02705   0.02713
     Eigenvalues ---    0.02715   0.02718   0.02724   0.02740   0.02747
     Eigenvalues ---    0.02755   0.02762   0.02763   0.02768   0.02769
     Eigenvalues ---    0.02771   0.02773   0.02787   0.02787   0.02788
     Eigenvalues ---    0.02790   0.02791   0.02791   0.02793   0.02793
     Eigenvalues ---    0.02793   0.02794   0.02794   0.02794   0.02801
     Eigenvalues ---    0.02801   0.02802   0.02803   0.02809   0.02809
     Eigenvalues ---    0.02810   0.02810   0.02811   0.02816   0.02817
     Eigenvalues ---    0.02818   0.02819   0.02822   0.02822   0.02822
     Eigenvalues ---    0.02823   0.02823   0.02823   0.02824   0.02829
     Eigenvalues ---    0.02833   0.02836   0.02838   0.02846   0.02846
     Eigenvalues ---    0.02846   0.02846   0.02846   0.02847   0.02854
     Eigenvalues ---    0.02860   0.02861   0.02867   0.02871   0.02871
     Eigenvalues ---    0.02871   0.02871   0.02874   0.02874   0.02877
     Eigenvalues ---    0.02877   0.02877   0.02878   0.02878   0.02879
     Eigenvalues ---    0.02884   0.02884   0.02885   0.02885   0.02885
     Eigenvalues ---    0.02885   0.02886   0.02886   0.02886   0.02888
     Eigenvalues ---    0.02898   0.02898   0.02899   0.02900   0.02900
     Eigenvalues ---    0.02900   0.02906   0.02913   0.02913   0.02915
     Eigenvalues ---    0.02920   0.02920   0.02921   0.02940   0.02955
     Eigenvalues ---    0.02955   0.02980   0.03026   0.03026   0.03026
     Eigenvalues ---    0.03034   0.03136   0.03136   0.03136   0.03149
     Eigenvalues ---    0.03151   0.03252   0.03821   0.05905   0.15021
     Eigenvalues ---    0.15942   0.15945   0.15951   0.15951   0.15954
     Eigenvalues ---    0.15965   0.15986   0.15986   0.15987   0.15987
     Eigenvalues ---    0.15987   0.15989   0.15990   0.15992   0.15992
     Eigenvalues ---    0.15993   0.15993   0.15994   0.15995   0.15995
     Eigenvalues ---    0.15995   0.15995   0.15995   0.15995   0.15995
     Eigenvalues ---    0.15996   0.15997   0.15997   0.15998   0.15999
     Eigenvalues ---    0.15999   0.15999   0.15999   0.15999   0.15999
     Eigenvalues ---    0.15999   0.15999   0.15999   0.15999   0.15999
     Eigenvalues ---    0.15999   0.16000   0.16000   0.16033   0.16158
     Eigenvalues ---    0.17769   0.21996   0.21996   0.21996   0.21997
     Eigenvalues ---    0.21997   0.22004   0.22005   0.22005   0.22052
     Eigenvalues ---    0.22341   0.22414   0.22429   0.22586   0.22586
     Eigenvalues ---    0.22589   0.22589   0.22589   0.22624   0.22834
     Eigenvalues ---    0.22949   0.22949   0.23138   0.23477   0.23489
     Eigenvalues ---    0.23542   0.23695   0.24002   0.24002   0.24226
     Eigenvalues ---    0.24395   0.24396   0.24396   0.24436   0.24437
     Eigenvalues ---    0.24606   0.24619   0.24650   0.24888   0.24888
     Eigenvalues ---    0.24927   0.24927   0.24928   0.24982   0.24987
     Eigenvalues ---    0.24995   0.24996   0.24998   0.24999   0.25000
     Eigenvalues ---    0.25000   0.25000   0.25000   0.25000   0.25000
     Eigenvalues ---    0.25000   0.25000   0.25000   0.25021   0.25075
     Eigenvalues ---    0.25874   0.33222   0.33248   0.33252   0.33254
     Eigenvalues ---    0.33256   0.33257   0.33284   0.33312   0.33390
     Eigenvalues ---    0.33393   0.33396   0.33399   0.33401   0.33426
     Eigenvalues ---    0.33562   0.33567   0.33570   0.33572   0.33576
     Eigenvalues ---    0.33597   0.33613   0.33621   0.33642   0.33645
     Eigenvalues ---    0.33650   0.33659   0.33680   0.33689   0.33705
     Eigenvalues ---    0.33712   0.33730   0.33813   0.33829   0.33831
     Eigenvalues ---    0.33835   0.33840   0.33879   0.33929   0.33930
     Eigenvalues ---    0.33932   0.33936   0.33940   0.34616   0.34996
     Eigenvalues ---    0.35129   0.43058   0.44432   0.44433   0.44434
     Eigenvalues ---    0.44963   0.45620   0.48193   0.48899   0.48944
     Eigenvalues ---    0.48946   0.49253   0.49314   0.49491   0.49630
     Eigenvalues ---    0.49636   0.49654   0.49961   0.50125   0.50145
     Eigenvalues ---    0.50253   0.50417   0.50419   0.50549   0.50572
     Eigenvalues ---    0.50574   0.50578   0.52070   0.52309   0.52312
     Eigenvalues ---    0.52499   0.52659   0.53777   0.54124   0.54130
     Eigenvalues ---    0.54201   0.54203   0.54205   0.54361   0.54397
     Eigenvalues ---    0.54758   0.55039   0.55182   0.55218   0.55317
     Eigenvalues ---    0.55332   0.55351   0.55370   0.55386   0.55427
     Eigenvalues ---    0.55447   0.55645   0.55722   0.55722   0.55729
     Eigenvalues ---    0.55925   0.55946   0.55949   0.56139   0.56145
     Eigenvalues ---    0.56147   0.56147   0.56272   0.56282   0.56288
     Eigenvalues ---    0.56444   0.56659   0.56661   0.56666   0.56667
     Eigenvalues ---    0.56673   0.56675   0.56776   0.56785   0.56853
     Eigenvalues ---    0.56909   0.56912   0.57141   0.57169   0.57170
     Eigenvalues ---    0.57171   0.57182   0.57183   0.57756   0.59924
     Eigenvalues ---    0.63886   0.66127   0.66131   0.67073   0.67676
     Eigenvalues ---    0.67681   0.67688   0.70105   0.70131   0.70592
     Eigenvalues ---    0.73733   0.76240
 RFO step:  Lambda=-1.64173759D-02 EMin= 1.13871602D-02
 Quartic linear search produced a step of  1.54336.
 Iteration  1 RMS(Cart)=  0.20733130 RMS(Int)=  0.01820598
 Iteration  2 RMS(Cart)=  0.05792628 RMS(Int)=  0.00574403
 Iteration  3 RMS(Cart)=  0.00566984 RMS(Int)=  0.00041124
 Iteration  4 RMS(Cart)=  0.00009545 RMS(Int)=  0.00040330
 Iteration  5 RMS(Cart)=  0.00000025 RMS(Int)=  0.00040330
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        2.65004  -0.00204  -0.00340  -0.00364  -0.00701   2.64303
    R2        2.67592  -0.00233  -0.00235  -0.00411  -0.00643   2.66949
    R3        2.80180   0.00177   0.03239  -0.00270   0.02969   2.83148
    R4        2.65581  -0.00070   0.00249  -0.00138   0.00110   2.65692
    R5        2.04101   0.00010  -0.00771   0.00383  -0.00389   2.03712
    R6        2.68530  -0.00381  -0.00954  -0.00635  -0.01588   2.66941
    R7        2.78459   0.00010   0.02170  -0.00458   0.01713   2.80172
    R8        2.65636  -0.00068   0.00147  -0.00045   0.00099   2.65735
    R9        2.75385  -0.00028   0.01447  -0.00289   0.01160   2.76545
   R10        2.61219  -0.00205  -0.00582  -0.00259  -0.00839   2.60379
   R11        2.04571   0.00056   0.00184   0.00120   0.00304   2.04874
   R12        2.04553   0.00052  -0.00346   0.00378   0.00032   2.04586
   R13        2.69784  -0.00293  -0.00499  -0.00521  -0.01031   2.68753
   R14        2.64982  -0.00099   0.00134  -0.00213  -0.00085   2.64897
   R15        2.71594  -0.00100   0.00569  -0.00264   0.00302   2.71897
   R16        2.66799  -0.00114  -0.00047  -0.00091  -0.00139   2.66660
   R17        2.70885  -0.00156   0.00114  -0.00231  -0.00141   2.70744
   R18        2.55162  -0.00121  -0.00169  -0.00190  -0.00311   2.54851
   R19        2.51662  -0.00324  -0.00298  -0.00485  -0.00851   2.50810
   R20        2.65257  -0.00192  -0.00427  -0.00268  -0.00694   2.64564
   R21        2.04023   0.00016  -0.00713   0.00384  -0.00328   2.03695
   R22        2.67588  -0.00268  -0.00207  -0.00558  -0.00758   2.66830
   R23        2.79671   0.00176   0.03156  -0.00249   0.02907   2.82578
   R24        2.60716  -0.00139  -0.00528  -0.00057  -0.00578   2.60138
   R25        2.04402   0.00051  -0.00372   0.00378   0.00007   2.04409
   R26        2.04801   0.00009  -0.00097   0.00000  -0.00096   2.04704
   R27        2.58031  -0.00124   0.00298  -0.00330   0.00037   2.58068
   R28        1.91227   0.00090   0.00200   0.00145   0.00376   1.91602
   R29        5.41258   0.00250   0.06156   0.01961   0.08004   5.49263
   R30        2.69381  -0.00329  -0.00338  -0.00644  -0.00952   2.68429
   R31        2.65516  -0.00123  -0.00121  -0.00109  -0.00218   2.65298
   R32        2.56194  -0.00088   0.01044  -0.00376   0.00620   2.56814
   R33        2.67298  -0.00110   0.00356  -0.00265   0.00090   2.67388
   R34        2.60170  -0.00156  -0.00484  -0.00161  -0.00644   2.59526
   R35        2.04897   0.00034  -0.00018   0.00097   0.00079   2.04976
   R36        2.70746  -0.00151   0.00568  -0.00432   0.00126   2.70872
   R37        2.04427   0.00043  -0.00373   0.00333  -0.00040   2.04387
   R38        2.62907  -0.00195  -0.00659  -0.00211  -0.00881   2.62025
   R39        2.79987   0.00182   0.03191  -0.00233   0.02958   2.82945
   R40        2.04405   0.00040  -0.00263   0.00254  -0.00009   2.04396
   R41        2.66307  -0.00143  -0.00366  -0.00027  -0.00402   2.65906
   R42        2.66285  -0.00119  -0.00515   0.00134  -0.00390   2.65895
   R43        2.66437  -0.00146  -0.00351  -0.00041  -0.00401   2.66036
   R44        2.66399  -0.00125  -0.00498   0.00107  -0.00400   2.65999
   R45        2.66282  -0.00149  -0.00423  -0.00020  -0.00452   2.65830
   R46        2.66341  -0.00107  -0.00417   0.00141  -0.00285   2.66056
   R47        2.62658  -0.00123  -0.00037  -0.00218  -0.00255   2.62404
   R48        2.04615   0.00055  -0.00243   0.00345   0.00102   2.04717
   R49        2.65977  -0.00361  -0.00520  -0.00857  -0.01368   2.64609
   R50        2.04202   0.00191  -0.00402   0.01241   0.00838   2.05041
   R51        2.66075  -0.00369  -0.00492  -0.00897  -0.01380   2.64695
   R52        2.66259  -0.00104   0.02636  -0.01115   0.01521   2.67780
   R53        2.62584  -0.00128  -0.00070  -0.00219  -0.00289   2.62295
   R54        2.04205   0.00196  -0.00428   0.01280   0.00851   2.05056
   R55        2.04718   0.00041  -0.00180   0.00228   0.00048   2.04766
   R56        2.62785  -0.00128  -0.00027  -0.00238  -0.00264   2.62520
   R57        2.04633   0.00059  -0.00254   0.00375   0.00121   2.04754
   R58        2.65865  -0.00359  -0.00539  -0.00845  -0.01375   2.64489
   R59        2.04220   0.00191  -0.00414   0.01246   0.00832   2.05052
   R60        2.65972  -0.00366  -0.00507  -0.00883  -0.01382   2.64590
   R61        2.66504  -0.00106   0.02688  -0.01143   0.01546   2.68050
   R62        2.62709  -0.00133  -0.00058  -0.00243  -0.00301   2.62408
   R63        2.04217   0.00197  -0.00441   0.01295   0.00854   2.05071
   R64        2.04739   0.00037  -0.00185   0.00209   0.00025   2.04764
   R65        2.62800  -0.00120   0.00005  -0.00226  -0.00221   2.62579
   R66        2.04619   0.00051  -0.00256   0.00328   0.00073   2.04691
   R67        2.65845  -0.00370  -0.00535  -0.00890  -0.01416   2.64430
   R68        2.04197   0.00193  -0.00428   0.01262   0.00834   2.05032
   R69        2.66106  -0.00362  -0.00486  -0.00877  -0.01354   2.64753
   R70        2.66357  -0.00114   0.02650  -0.01150   0.01501   2.67857
   R71        2.62522  -0.00134  -0.00081  -0.00237  -0.00317   2.62205
   R72        2.04202   0.00194  -0.00426   0.01268   0.00842   2.05044
   R73        2.04695   0.00035  -0.00179   0.00193   0.00013   2.04709
   R74        2.66985  -0.00418   0.01857  -0.01745   0.00115   2.67099
   R75        2.67007  -0.00403   0.01844  -0.01687   0.00159   2.67166
   R76        2.67093  -0.00403   0.01874  -0.01700   0.00177   2.67270
   R77        2.67115  -0.00410   0.01889  -0.01731   0.00161   2.67276
   R78        2.67091  -0.00405   0.01882  -0.01713   0.00172   2.67262
   R79        2.67039  -0.00403   0.01876  -0.01703   0.00175   2.67214
   R80        2.68212  -0.00268  -0.00064  -0.00597  -0.00662   2.67550
   R81        2.64915  -0.00303  -0.00249  -0.00791  -0.01039   2.63876
   R82        2.73823  -0.00123   0.00273   0.00046   0.00317   2.74140
   R83        2.64403  -0.00101   0.00132  -0.00139  -0.00008   2.64394
   R84        2.68216  -0.00274  -0.00057  -0.00629  -0.00687   2.67529
   R85        2.64405  -0.00101   0.00137  -0.00142  -0.00006   2.64400
   R86        2.64920  -0.00306  -0.00237  -0.00810  -0.01046   2.63875
   R87        2.68265  -0.00274  -0.00029  -0.00641  -0.00672   2.67594
   R88        2.64951  -0.00310  -0.00226  -0.00830  -0.01055   2.63896
   R89        2.73789  -0.00123   0.00255   0.00058   0.00311   2.74099
   R90        2.64419  -0.00102   0.00132  -0.00143  -0.00013   2.64406
   R91        2.68241  -0.00268  -0.00056  -0.00598  -0.00655   2.67586
   R92        2.64425  -0.00101   0.00135  -0.00140  -0.00006   2.64419
   R93        2.64941  -0.00304  -0.00247  -0.00794  -0.01040   2.63901
   R94        2.68220  -0.00273  -0.00056  -0.00623  -0.00680   2.67539
   R95        2.64930  -0.00306  -0.00236  -0.00810  -0.01045   2.63885
   R96        2.73811  -0.00122   0.00264   0.00055   0.00315   2.74126
   R97        2.64414  -0.00100   0.00136  -0.00140  -0.00005   2.64409
   R98        2.68235  -0.00270  -0.00050  -0.00614  -0.00666   2.67569
   R99        2.64408  -0.00102   0.00132  -0.00143  -0.00013   2.64395
   R100       2.64928  -0.00306  -0.00244  -0.00803  -0.01047   2.63882
   R101       2.63135  -0.00095  -0.00402   0.00129  -0.00274   2.62861
   R102       2.05107   0.00045   0.00223   0.00064   0.00287   2.05394
   R103       2.65429  -0.00098  -0.00388   0.00152  -0.00236   2.65194
   R104       2.04975   0.00045   0.00083   0.00127   0.00211   2.05186
   R105       2.63721  -0.00157   0.00077  -0.00385  -0.00307   2.63414
   R106       2.05063   0.00051   0.00300   0.00051   0.00351   2.05415
   R107       2.04218   0.00168  -0.00552   0.01179   0.00627   2.04845
   R108       2.63716  -0.00155   0.00075  -0.00378  -0.00301   2.63415
   R109       2.04219   0.00165  -0.00540   0.01155   0.00615   2.04835
   R110       2.65428  -0.00099  -0.00379   0.00142  -0.00237   2.65191
   R111       2.05064   0.00052   0.00300   0.00056   0.00356   2.05420
   R112       2.63135  -0.00096  -0.00400   0.00123  -0.00278   2.62857
   R113       2.04975   0.00046   0.00084   0.00129   0.00213   2.05188
   R114       2.05107   0.00044   0.00223   0.00063   0.00285   2.05392
   R115       2.63120  -0.00096  -0.00401   0.00123  -0.00279   2.62840
   R116       2.05113   0.00044   0.00222   0.00061   0.00284   2.05397
   R117       2.65455  -0.00100  -0.00378   0.00139  -0.00239   2.65217
   R118       2.04978   0.00045   0.00082   0.00128   0.00210   2.05188
   R119       2.63700  -0.00156   0.00073  -0.00380  -0.00305   2.63395
   R120       2.05067   0.00052   0.00300   0.00054   0.00354   2.05421
   R121       2.04223   0.00165  -0.00535   0.01151   0.00616   2.04839
   R122       2.63714  -0.00158   0.00071  -0.00388  -0.00315   2.63399
   R123       2.04221   0.00170  -0.00559   0.01193   0.00635   2.04856
   R124       2.65444  -0.00097  -0.00385   0.00154  -0.00230   2.65214
   R125       2.05075   0.00051   0.00298   0.00052   0.00350   2.05425
   R126       2.63129  -0.00094  -0.00406   0.00135  -0.00271   2.62857
   R127       2.04979   0.00045   0.00079   0.00128   0.00207   2.05186
   R128       2.05112   0.00044   0.00224   0.00061   0.00285   2.05397
   R129       2.63134  -0.00095  -0.00404   0.00129  -0.00277   2.62857
   R130       2.05109   0.00044   0.00224   0.00060   0.00284   2.05393
   R131       2.65432  -0.00100  -0.00385   0.00144  -0.00240   2.65192
   R132       2.04978   0.00045   0.00080   0.00128   0.00209   2.05187
   R133       2.63715  -0.00156   0.00076  -0.00380  -0.00302   2.63412
   R134       2.05069   0.00051   0.00298   0.00055   0.00353   2.05421
   R135       2.04217   0.00168  -0.00559   0.01185   0.00626   2.04842
   R136       2.63708  -0.00156   0.00074  -0.00380  -0.00304   2.63404
   R137       2.04221   0.00167  -0.00548   0.01169   0.00622   2.04843
   R138       2.65441  -0.00099  -0.00383   0.00145  -0.00237   2.65204
   R139       2.05062   0.00051   0.00300   0.00052   0.00352   2.05414
   R140       2.63125  -0.00095  -0.00408   0.00131  -0.00278   2.62848
   R141       2.04977   0.00045   0.00082   0.00127   0.00209   2.05186
   R142       2.05110   0.00044   0.00222   0.00062   0.00284   2.05394
   R143       5.22128  -0.00717  -0.27363  -0.27051  -0.54295   4.67833
    A1        2.04132   0.00029   0.01004  -0.00013   0.00994   2.05126
    A2        2.11993   0.00044  -0.00804   0.00558  -0.00248   2.11746
    A3        2.12193  -0.00073  -0.00200  -0.00545  -0.00746   2.11447
    A4        2.15165  -0.00016  -0.01095   0.00135  -0.00961   2.14204
    A5        2.06490   0.00012   0.00878  -0.00082   0.00797   2.07286
    A6        2.06642   0.00004   0.00219  -0.00063   0.00157   2.06799
    A7        2.06109  -0.00011   0.00322  -0.00132   0.00188   2.06297
    A8        2.13376   0.00000  -0.00475   0.00100  -0.00365   2.13010
    A9        2.08833   0.00011   0.00153   0.00030   0.00155   2.08988
   A10        2.08061   0.00028   0.00424   0.00074   0.00501   2.08562
   A11        2.10703  -0.00011  -0.00015  -0.00131  -0.00170   2.10533
   A12        2.09553  -0.00018  -0.00410   0.00055  -0.00338   2.09215
   A13        2.11621  -0.00010  -0.00353  -0.00014  -0.00372   2.11249
   A14        2.06452  -0.00023  -0.02441   0.00571  -0.01868   2.04584
   A15        2.10244   0.00034   0.02795  -0.00556   0.02240   2.12485
   A16        2.11544  -0.00019  -0.00302  -0.00051  -0.00352   2.11192
   A17        2.10614  -0.00027  -0.01645   0.00228  -0.01418   2.09196
   A18        2.06151   0.00046   0.01942  -0.00181   0.01758   2.07909
   A19        2.09335   0.00010  -0.00005   0.00060   0.00033   2.09369
   A20        2.13015  -0.00021  -0.00290  -0.00086  -0.00347   2.12668
   A21        2.05958   0.00011   0.00288   0.00018   0.00292   2.06250
   A22        2.08132   0.00011  -0.00481   0.00126  -0.00389   2.07743
   A23        2.07283   0.00016   0.00640  -0.00014   0.00609   2.07893
   A24        2.12863  -0.00028  -0.00196  -0.00138  -0.00321   2.12542
   A25        2.12930  -0.00038   0.00827  -0.00414   0.00327   2.13258
   A26        2.11722   0.00030  -0.00410   0.00398  -0.00039   2.11682
   A27        2.03660   0.00008  -0.00418   0.00020  -0.00287   2.03374
   A28        2.06655   0.00014  -0.00540   0.00249  -0.00311   2.06345
   A29        2.07804  -0.00012   0.00337  -0.00092   0.00272   2.08075
   A30        2.13825  -0.00003   0.00211  -0.00161   0.00042   2.13867
   A31        2.15722  -0.00030  -0.01204   0.00052  -0.01174   2.14548
   A32        2.06123   0.00019   0.00231   0.00054   0.00285   2.06408
   A33        2.06420   0.00010   0.00944  -0.00133   0.00813   2.07233
   A34        2.04073   0.00024   0.01014  -0.00059   0.00952   2.05026
   A35        2.12112   0.00031  -0.00788   0.00453  -0.00335   2.11777
   A36        2.12130  -0.00055  -0.00229  -0.00398  -0.00627   2.11503
   A37        2.11388   0.00018   0.00014   0.00096   0.00114   2.11502
   A38        2.10907  -0.00031  -0.01514   0.00220  -0.01296   2.09611
   A39        2.06023   0.00013   0.01500  -0.00316   0.01182   2.07205
   A40        2.12199  -0.00041  -0.00770  -0.00120  -0.00926   2.11273
   A41        2.11001   0.00005  -0.01228   0.00392  -0.00860   2.10141
   A42        2.05087   0.00035   0.01960  -0.00318   0.01611   2.06698
   A43        2.15133  -0.00071   0.00836  -0.00222   0.00282   2.15415
   A44        2.07799   0.00070  -0.00849   0.00805  -0.00406   2.07392
   A45        1.72174   0.00332   0.05364   0.05223   0.10252   1.82426
   A46        2.05316   0.00002   0.00467  -0.00359  -0.00261   2.05055
   A47        1.71499   0.00115   0.04064   0.03425   0.07075   1.78574
   A48        2.04269   0.00058  -0.00645   0.00373  -0.00142   2.04126
   A49        2.14044  -0.00063  -0.00304  -0.00146  -0.00546   2.13498
   A50        2.10006   0.00005   0.00951  -0.00227   0.00688   2.10694
   A51        2.12204  -0.00030   0.00217  -0.00342  -0.00108   2.12095
   A52        2.06959   0.00036  -0.00338   0.00278  -0.00048   2.06911
   A53        2.09138  -0.00006   0.00116   0.00061   0.00147   2.09285
   A54        2.07522   0.00039  -0.00144   0.00350   0.00121   2.07644
   A55        2.08098  -0.00007  -0.00603   0.00071  -0.00516   2.07583
   A56        2.09615  -0.00045  -0.00782  -0.00176  -0.00986   2.08629
   A57        2.10571   0.00050   0.01349   0.00085   0.01403   2.11973
   A58        2.14043  -0.00014  -0.00204   0.00017  -0.00181   2.13862
   A59        2.04953   0.00032   0.01972  -0.00370   0.01597   2.06550
   A60        2.09321  -0.00017  -0.01770   0.00354  -0.01420   2.07901
   A61        2.04507   0.00004   0.00708  -0.00053   0.00649   2.05155
   A62        2.11218  -0.00044  -0.00379  -0.00322  -0.00698   2.10520
   A63        2.12594   0.00041  -0.00330   0.00375   0.00048   2.12642
   A64        2.13024  -0.00024  -0.00512  -0.00086  -0.00594   2.12429
   A65        2.01816   0.00001   0.00452  -0.00162   0.00287   2.02103
   A66        2.13474   0.00023   0.00057   0.00247   0.00302   2.13777
   A67        2.12776  -0.00082   0.00127  -0.00946  -0.00814   2.11961
   A68        2.13640  -0.00047  -0.01118  -0.00082  -0.01195   2.12445
   A69        2.01903   0.00129   0.00991   0.01028   0.02010   2.03913
   A70        2.12759  -0.00073   0.00092  -0.00854  -0.00757   2.12002
   A71        2.13556  -0.00053  -0.01075  -0.00159  -0.01229   2.12327
   A72        2.02004   0.00126   0.00983   0.01012   0.01986   2.03989
   A73        2.13417  -0.00070   0.00169  -0.00866  -0.00692   2.12725
   A74        2.12746  -0.00045  -0.01107  -0.00065  -0.01168   2.11578
   A75        2.02155   0.00115   0.00939   0.00931   0.01861   2.04016
   A76        2.13751  -0.00095  -0.00383  -0.00600  -0.00982   2.12769
   A77        2.10187   0.00020  -0.01265   0.00493  -0.00771   2.09415
   A78        2.04318   0.00075   0.01651   0.00094   0.01742   2.06060
   A79        2.11204  -0.00119  -0.00923  -0.00840  -0.01784   2.09420
   A80        2.06969   0.00188   0.02543   0.01316   0.03815   2.10784
   A81        2.09824  -0.00064  -0.01502  -0.00211  -0.01764   2.08060
   A82        2.04704   0.00303   0.01589   0.01897   0.03513   2.08217
   A83        2.11888  -0.00142  -0.00816  -0.00863  -0.01694   2.10194
   A84        2.11727  -0.00161  -0.00773  -0.01034  -0.01820   2.09907
   A85        2.11225  -0.00127  -0.00919  -0.00918  -0.01857   2.09368
   A86        2.09734  -0.00063  -0.01482  -0.00227  -0.01761   2.07974
   A87        2.07047   0.00196   0.02519   0.01404   0.03880   2.10927
   A88        2.13749  -0.00088  -0.00343  -0.00547  -0.00889   2.12860
   A89        2.10285   0.00017  -0.01632   0.00613  -0.01018   2.09268
   A90        2.04227   0.00072   0.01981  -0.00081   0.01898   2.06125
   A91        2.13818  -0.00095  -0.00386  -0.00588  -0.00972   2.12846
   A92        2.10099   0.00020  -0.01283   0.00493  -0.00789   2.09310
   A93        2.04347   0.00075   0.01681   0.00084   0.01763   2.06110
   A94        2.11217  -0.00123  -0.00926  -0.00875  -0.01822   2.09395
   A95        2.06972   0.00192   0.02560   0.01342   0.03855   2.10827
   A96        2.09823  -0.00063  -0.01504  -0.00210  -0.01769   2.08054
   A97        2.04649   0.00308   0.01594   0.01927   0.03549   2.08198
   A98        2.11857  -0.00139  -0.00863  -0.00817  -0.01694   2.10164
   A99        2.11812  -0.00168  -0.00731  -0.01110  -0.01855   2.09956
   A100       2.11232  -0.00127  -0.00918  -0.00917  -0.01853   2.09379
   A101       2.09750  -0.00064  -0.01471  -0.00240  -0.01761   2.07989
   A102       2.07015   0.00197   0.02500   0.01422   0.03879   2.10894
   A103       2.13817  -0.00092  -0.00352  -0.00572  -0.00924   2.12892
   A104       2.10226   0.00020  -0.01638   0.00648  -0.00989   2.09237
   A105       2.04210   0.00072   0.01992  -0.00088   0.01902   2.06112
   A106       2.13663  -0.00089  -0.00381  -0.00537  -0.00917   2.12746
   A107       2.10539   0.00029  -0.01083   0.00542  -0.00541   2.09998
   A108       2.04078   0.00060   0.01469  -0.00007   0.01461   2.05539
   A109       2.11190  -0.00115  -0.00873  -0.00847  -0.01741   2.09449
   A110       2.06972   0.00186   0.02487   0.01325   0.03768   2.10740
   A111       2.09849  -0.00065  -0.01496  -0.00219  -0.01767   2.08083
   A112       2.04726   0.00300   0.01547   0.01876   0.03452   2.08177
   A113       2.11888  -0.00148  -0.00737  -0.00939  -0.01690   2.10199
   A114       2.11704  -0.00152  -0.00810  -0.00938  -0.01762   2.09942
   A115       2.11250  -0.00125  -0.00923  -0.00902  -0.01845   2.09405
   A116       2.09802  -0.00064  -0.01497  -0.00233  -0.01784   2.08018
   A117       2.06979   0.00195   0.02545   0.01382   0.03879   2.10858
   A118       2.13652  -0.00084  -0.00305  -0.00517  -0.00821   2.12831
   A119       2.10133   0.00026  -0.01485   0.00676  -0.00810   2.09323
   A120       2.04506   0.00059   0.01801  -0.00160   0.01639   2.06146
   A121       2.19996  -0.00071   0.00787  -0.00829  -0.00044   2.19952
   A122       2.19947  -0.00031   0.00554  -0.00408   0.00145   2.20092
   A123       1.88375   0.00102  -0.01341   0.01236  -0.00101   1.88274
   A124       2.19975  -0.00040   0.00610  -0.00500   0.00108   2.20083
   A125       2.19972  -0.00060   0.00741  -0.00722   0.00016   2.19988
   A126       1.88371   0.00100  -0.01351   0.01222  -0.00124   1.88247
   A127       2.19963  -0.00054   0.00685  -0.00649   0.00034   2.19997
   A128       2.19977  -0.00046   0.00664  -0.00583   0.00080   2.20056
   A129       1.88379   0.00100  -0.01349   0.01231  -0.00114   1.88266
   A130       1.90048  -0.00010   0.00544  -0.00522   0.00019   1.90066
   A131       2.28006  -0.00243  -0.01775  -0.01141  -0.02923   2.25082
   A132       2.09868   0.00256   0.01195   0.01854   0.03046   2.12913
   A133       1.87009  -0.00042   0.00136  -0.00097   0.00037   1.87046
   A134       2.10278  -0.00146  -0.01044  -0.01082  -0.02129   2.08150
   A135       2.31022   0.00188   0.00902   0.01177   0.02083   2.33104
   A136       1.87009  -0.00043   0.00139  -0.00113   0.00024   1.87033
   A137       2.31017   0.00190   0.00890   0.01213   0.02107   2.33124
   A138       2.10281  -0.00148  -0.01035  -0.01102  -0.02140   2.08141
   A139       1.90040  -0.00005   0.00536  -0.00489   0.00043   1.90083
   A140       2.28019  -0.00253  -0.01746  -0.01224  -0.02977   2.25042
   A141       2.09859   0.00261   0.01176   0.01905   0.03077   2.12936
   A142       1.90069  -0.00004   0.00528  -0.00488   0.00036   1.90106
   A143       2.28039  -0.00257  -0.01712  -0.01263  -0.02983   2.25057
   A144       2.09814   0.00265   0.01152   0.01945   0.03093   2.12906
   A145       1.86979  -0.00044   0.00139  -0.00116   0.00021   1.87000
   A146       2.10286  -0.00149  -0.01023  -0.01122  -0.02148   2.08138
   A147       2.31042   0.00193   0.00878   0.01237   0.02119   2.33162
   A148       1.86977  -0.00043   0.00125  -0.00088   0.00035   1.87012
   A149       2.31048   0.00189   0.00908   0.01177   0.02089   2.33136
   A150       2.10283  -0.00146  -0.01039  -0.01091  -0.02133   2.08150
   A151       1.90075  -0.00012   0.00553  -0.00541   0.00008   1.90083
   A152       2.27995  -0.00242  -0.01779  -0.01130  -0.02916   2.25079
   A153       2.09855   0.00257   0.01194   0.01860   0.03050   2.12905
   A154       1.90044  -0.00008   0.00538  -0.00510   0.00025   1.90070
   A155       2.28007  -0.00250  -0.01741  -0.01206  -0.02954   2.25053
   A156       2.09868   0.00261   0.01171   0.01903   0.03070   2.12938
   A157       1.87001  -0.00042   0.00139  -0.00102   0.00034   1.87035
   A158       2.10280  -0.00148  -0.01030  -0.01104  -0.02137   2.08144
   A159       2.31026   0.00189   0.00884   0.01205   0.02093   2.33119
   A160       1.86999  -0.00042   0.00138  -0.00099   0.00036   1.87036
   A161       2.31031   0.00189   0.00885   0.01198   0.02087   2.33117
   A162       2.10279  -0.00147  -0.01028  -0.01100  -0.02131   2.08147
   A163       1.90053  -0.00009   0.00538  -0.00519   0.00016   1.90069
   A164       2.28024  -0.00247  -0.01739  -0.01184  -0.02930   2.25094
   A165       2.09845   0.00259   0.01166   0.01892   0.03054   2.12900
   A166       2.07947  -0.00031   0.00306  -0.00207   0.00093   2.08040
   A167       2.09723   0.00025  -0.00445   0.00255  -0.00187   2.09536
   A168       2.10639   0.00006   0.00139  -0.00043   0.00099   2.10738
   A169       2.09495   0.00069   0.00248   0.00765   0.01000   2.10495
   A170       2.09609  -0.00029   0.00084  -0.00386  -0.00308   2.09301
   A171       2.09186  -0.00040  -0.00305  -0.00353  -0.00664   2.08522
   A172       2.12535  -0.00067   0.00077  -0.00520  -0.00450   2.12085
   A173       2.08776   0.00009  -0.00141   0.00099  -0.00048   2.08728
   A174       2.07001   0.00058   0.00086   0.00424   0.00504   2.07505
   A175       2.06255  -0.00082  -0.00729  -0.00671  -0.01413   2.04843
   A176       2.13369  -0.00089  -0.01448  -0.00567  -0.02027   2.11342
   A177       2.08618   0.00173   0.02216   0.01304   0.03508   2.12126
   A178       2.06252  -0.00080  -0.00739  -0.00644  -0.01396   2.04856
   A179       2.13371  -0.00089  -0.01437  -0.00567  -0.02019   2.11352
   A180       2.08629   0.00170   0.02221   0.01273   0.03479   2.12108
   A181       2.12537  -0.00066   0.00076  -0.00515  -0.00445   2.12091
   A182       2.06999   0.00058   0.00080   0.00429   0.00502   2.07501
   A183       2.08777   0.00008  -0.00135   0.00090  -0.00052   2.08725
   A184       2.09496   0.00069   0.00248   0.00753   0.00988   2.10484
   A185       2.09190  -0.00039  -0.00303  -0.00346  -0.00657   2.08533
   A186       2.09607  -0.00029   0.00084  -0.00383  -0.00306   2.09301
   A187       2.07946  -0.00030   0.00307  -0.00198   0.00103   2.08049
   A188       2.09723   0.00024  -0.00443   0.00250  -0.00191   2.09532
   A189       2.10641   0.00006   0.00136  -0.00047   0.00092   2.10733
   A190       2.07948  -0.00030   0.00300  -0.00197   0.00098   2.08046
   A191       2.09720   0.00025  -0.00439   0.00252  -0.00184   2.09536
   A192       2.10641   0.00005   0.00138  -0.00051   0.00090   2.10732
   A193       2.09487   0.00069   0.00251   0.00758   0.00997   2.10484
   A194       2.09613  -0.00029   0.00084  -0.00383  -0.00305   2.09308
   A195       2.09191  -0.00040  -0.00307  -0.00351  -0.00665   2.08526
   A196       2.12555  -0.00066   0.00081  -0.00521  -0.00448   2.12107
   A197       2.08769   0.00008  -0.00142   0.00092  -0.00056   2.08713
   A198       2.06988   0.00058   0.00082   0.00433   0.00509   2.07498
   A199       2.06248  -0.00080  -0.00741  -0.00643  -0.01398   2.04851
   A200       2.13345  -0.00088  -0.01446  -0.00557  -0.02017   2.11328
   A201       2.08654   0.00170   0.02230   0.01264   0.03481   2.12135
   A202       2.06287  -0.00083  -0.00720  -0.00687  -0.01421   2.04865
   A203       2.13304  -0.00090  -0.01457  -0.00575  -0.02046   2.11258
   A204       2.08657   0.00174   0.02220   0.01327   0.03533   2.12190
   A205       2.12542  -0.00068   0.00086  -0.00530  -0.00450   2.12092
   A206       2.07011   0.00058   0.00090   0.00428   0.00511   2.07522
   A207       2.08759   0.00009  -0.00155   0.00106  -0.00056   2.08704
   A208       2.09474   0.00071   0.00240   0.00783   0.01010   2.10484
   A209       2.09201  -0.00041  -0.00298  -0.00366  -0.00671   2.08529
   A210       2.09616  -0.00029   0.00087  -0.00391  -0.00312   2.09305
   A211       2.07971  -0.00032   0.00310  -0.00217   0.00087   2.08058
   A212       2.09707   0.00025  -0.00444   0.00255  -0.00186   2.09522
   A213       2.10631   0.00007   0.00134  -0.00034   0.00103   2.10734
   A214       2.07960  -0.00031   0.00308  -0.00205   0.00097   2.08058
   A215       2.09713   0.00025  -0.00445   0.00252  -0.00190   2.09523
   A216       2.10636   0.00006   0.00136  -0.00043   0.00096   2.10733
   A217       2.09486   0.00069   0.00241   0.00767   0.00995   2.10481
   A218       2.09611  -0.00029   0.00090  -0.00389  -0.00307   2.09304
   A219       2.09196  -0.00040  -0.00302  -0.00353  -0.00662   2.08534
   A220       2.12536  -0.00067   0.00080  -0.00521  -0.00448   2.12089
   A221       2.08773   0.00009  -0.00143   0.00096  -0.00053   2.08720
   A222       2.07003   0.00058   0.00083   0.00429   0.00505   2.07508
   A223       2.06270  -0.00081  -0.00724  -0.00664  -0.01401   2.04869
   A224       2.13345  -0.00088  -0.01439  -0.00559  -0.02013   2.11332
   A225       2.08635   0.00171   0.02207   0.01286   0.03478   2.12113
   A226       2.06239  -0.00082  -0.00731  -0.00668  -0.01411   2.04828
   A227       2.13392  -0.00087  -0.01413  -0.00563  -0.01989   2.11402
   A228       2.08615   0.00171   0.02185   0.01294   0.03467   2.12081
   A229       2.12549  -0.00067   0.00083  -0.00523  -0.00447   2.12102
   A230       2.06981   0.00058   0.00082   0.00427   0.00504   2.07485
   A231       2.08781   0.00009  -0.00143   0.00099  -0.00050   2.08731
   A232       2.09495   0.00070   0.00242   0.00768   0.00998   2.10493
   A233       2.09187  -0.00040  -0.00302  -0.00356  -0.00664   2.08523
   A234       2.09608  -0.00029   0.00087  -0.00387  -0.00306   2.09302
   A235       2.07941  -0.00031   0.00307  -0.00208   0.00093   2.08035
   A236       2.09724   0.00025  -0.00445   0.00256  -0.00186   2.09537
   A237       2.10644   0.00006   0.00138  -0.00044   0.00097   2.10741
    D1       -0.00276   0.00002   0.00235   0.00014   0.00247  -0.00029
    D2        3.11626  -0.00008   0.00319  -0.00454  -0.00142   3.11484
    D3        3.13911   0.00001  -0.00023   0.00056   0.00035   3.13946
    D4       -0.02505  -0.00008   0.00061  -0.00412  -0.00354  -0.02859
    D5       -0.00340  -0.00003  -0.00218  -0.00061  -0.00278  -0.00618
    D6        3.12327  -0.00013  -0.00619  -0.00424  -0.01032   3.11295
    D7        3.13791  -0.00002   0.00040  -0.00103  -0.00066   3.13725
    D8       -0.01861  -0.00013  -0.00362  -0.00466  -0.00820  -0.02681
    D9        3.01147  -0.00140  -0.04625  -0.05290  -0.09918   2.91229
   D10       -0.13060  -0.00140  -0.04562  -0.05315  -0.09881  -0.22941
   D11       -0.12983  -0.00141  -0.04897  -0.05246  -0.10138  -0.23121
   D12        3.01128  -0.00141  -0.04833  -0.05271  -0.10101   2.91027
   D13        0.00890   0.00001  -0.00057   0.00090   0.00031   0.00922
   D14       -3.12886   0.00022   0.01247   0.00709   0.01938  -3.10948
   D15       -3.11010   0.00010  -0.00149   0.00559   0.00411  -3.10598
   D16        0.03532   0.00032   0.01154   0.01178   0.02318   0.05850
   D17       -0.00892  -0.00002  -0.00147  -0.00148  -0.00286  -0.01179
   D18        3.12746  -0.00019  -0.00451  -0.00704  -0.01157   3.11589
   D19        3.12894  -0.00023  -0.01414  -0.00750  -0.02149   3.10745
   D20       -0.01786  -0.00040  -0.01718  -0.01306  -0.03019  -0.04805
   D21       -3.12549   0.00002  -0.00123   0.00151   0.00034  -3.12515
   D22        0.03225   0.00020   0.00471   0.00736   0.01201   0.04425
   D23        0.01999   0.00024   0.01200   0.00780   0.01969   0.03968
   D24       -3.10546   0.00042   0.01795   0.01365   0.03136  -3.07410
   D25        0.00320   0.00002   0.00156   0.00107   0.00255   0.00575
   D26       -3.13351  -0.00001   0.00064   0.00006   0.00070  -3.13282
   D27       -3.13322   0.00018   0.00458   0.00660   0.01118  -3.12204
   D28        0.01325   0.00016   0.00366   0.00559   0.00933   0.02258
   D29       -0.00570  -0.00006  -0.00226  -0.00318  -0.00521  -0.01091
   D30       -3.11983   0.00006  -0.00535  -0.00137  -0.00627  -3.12611
   D31        3.13065  -0.00023  -0.00532  -0.00879  -0.01393   3.11672
   D32        0.01651  -0.00010  -0.00841  -0.00697  -0.01499   0.00152
   D33        0.00315   0.00001   0.00030   0.00001   0.00034   0.00348
   D34       -3.12389   0.00012   0.00445   0.00352   0.00808  -3.11581
   D35        3.13976   0.00003   0.00108   0.00107   0.00215  -3.14127
   D36        0.01272   0.00014   0.00523   0.00458   0.00990   0.02262
   D37        0.00170   0.00039   0.01273   0.01371   0.02643   0.02813
   D38       -3.11011   0.00074   0.02916   0.02323   0.05254  -3.05758
   D39        3.12779   0.00022   0.00698   0.00808   0.01513  -3.14027
   D40        0.01598   0.00057   0.02342   0.01761   0.04124   0.05721
   D41        3.12120  -0.00047  -0.01926  -0.01465  -0.03371   3.08749
   D42        0.01542  -0.00020  -0.00866  -0.00553  -0.01412   0.00129
   D43       -0.00455  -0.00029  -0.01340  -0.00891  -0.02222  -0.02677
   D44       -3.11033  -0.00002  -0.00281   0.00021  -0.00263  -3.11296
   D45       -0.02623  -0.00087  -0.03325  -0.03078  -0.06404  -0.09028
   D46        3.12752  -0.00079  -0.03110  -0.03443  -0.06540   3.06213
   D47        3.08459  -0.00122  -0.05014  -0.04060  -0.09071   2.99388
   D48       -0.04484  -0.00114  -0.04799  -0.04425  -0.09206  -0.13691
   D49       -0.01695  -0.00043  -0.01857  -0.01297  -0.03154  -0.04849
   D50        3.09686  -0.00103  -0.04083  -0.03330  -0.07381   3.02305
   D51       -3.12791  -0.00008  -0.00164  -0.00323  -0.00468  -3.13259
   D52       -0.01411  -0.00068  -0.02390  -0.02355  -0.04695  -0.06105
   D53        0.02825   0.00071   0.02801   0.02547   0.05345   0.08170
   D54        3.14138   0.00058   0.03123   0.02361   0.05458  -3.08722
   D55       -3.12497   0.00063   0.02595   0.02899   0.05476  -3.07022
   D56       -0.01184   0.00050   0.02917   0.02712   0.05589   0.04405
   D57        3.13645   0.00001  -0.02754  -0.02993  -0.05680   3.07965
   D58       -0.04648   0.00038   0.05384   0.03571   0.08971   0.04323
   D59        1.28852  -0.00358  -0.11807  -0.10966  -0.22965   1.05887
   D60        0.00640   0.00009  -0.02557  -0.03336  -0.05812  -0.05172
   D61        3.10666   0.00046   0.05581   0.03227   0.08839  -3.08814
   D62       -1.84153  -0.00351  -0.11610  -0.11310  -0.23097  -2.07249
   D63        3.13341  -0.00078  -0.01711  -0.01098  -0.02861   3.10481
   D64        0.02046  -0.00065  -0.02021  -0.00916  -0.02966  -0.00920
   D65       -0.00641  -0.00013  -0.00244  -0.00495  -0.00745  -0.01386
   D66       -3.13952   0.00000   0.00196  -0.00040   0.00156  -3.13796
   D67        3.09932  -0.00041  -0.01316  -0.01405  -0.02723   3.07208
   D68       -0.03379  -0.00027  -0.00877  -0.00950  -0.01822  -0.05202
   D69        0.00586   0.00028   0.00817   0.01016   0.01835   0.02420
   D70       -3.13732   0.00027   0.01135   0.00873   0.02019  -3.11713
   D71        3.13896   0.00015   0.00376   0.00565   0.00937  -3.13486
   D72       -0.00421   0.00014   0.00693   0.00422   0.01121   0.00700
   D73        3.01488  -0.00146  -0.04898  -0.05497  -0.10393   2.91095
   D74       -0.12653  -0.00148  -0.04821  -0.05586  -0.10406  -0.23059
   D75       -0.11784  -0.00133  -0.04442  -0.05023  -0.09466  -0.21250
   D76        3.02393  -0.00134  -0.04365  -0.05112  -0.09479   2.92915
   D77        0.00582  -0.00000   0.00241  -0.00127   0.00113   0.00695
   D78       -3.10889   0.00058   0.02417   0.01828   0.04295  -3.06594
   D79       -3.13423   0.00000  -0.00062   0.00011  -0.00067  -3.13490
   D80        0.03424   0.00059   0.02115   0.01966   0.04115   0.07539
   D81       -0.00954  -0.00049   0.01370   0.02169   0.03470   0.02516
   D82        3.13429  -0.00050   0.00921   0.01916   0.02788  -3.12102
   D83       -3.11036  -0.00086  -0.06592  -0.04332  -0.10994   3.06289
   D84        0.03347  -0.00087  -0.07042  -0.04586  -0.11676  -0.08328
   D85        1.84188   0.00424   0.11100   0.11069   0.22264   2.06452
   D86       -1.29747   0.00423   0.10651   0.10815   0.21582  -1.08166
   D87        0.01814   0.00032  -0.00354  -0.00198  -0.00527   0.01286
   D88        3.13888   0.00006  -0.00651  -0.00340  -0.00978   3.12910
   D89       -3.12564   0.00033   0.00080   0.00050   0.00141  -3.12423
   D90       -0.00490   0.00007  -0.00217  -0.00093  -0.00310  -0.00799
   D91       -3.14094  -0.00001   0.00848   0.00444   0.01280  -3.12814
   D92        0.02873   0.00038   0.02729   0.01251   0.03946   0.06818
   D93        0.00297  -0.00002   0.00389   0.00182   0.00574   0.00871
   D94       -3.11056   0.00037   0.02271   0.00988   0.03240  -3.07816
   D95       -0.02363   0.00023   0.00711  -0.00360   0.00382  -0.01981
   D96        3.13907   0.00049   0.01016  -0.00218   0.00841  -3.13570
   D97        0.00533  -0.00010  -0.00145  -0.00192  -0.00340   0.00193
   D98        3.13680  -0.00007  -0.00498  -0.00261  -0.00757   3.12924
   D99        3.12645  -0.00036  -0.00435  -0.00337  -0.00787   3.11859
   D100      -0.02526  -0.00033  -0.00788  -0.00406  -0.01203  -0.03730
   D101      -0.00131  -0.00000  -0.00215   0.00004  -0.00212  -0.00343
   D102      -3.13709   0.00004   0.00382  -0.00109   0.00287  -3.13422
   D103       3.11206  -0.00041  -0.02127  -0.00811  -0.02971   3.08234
   D104      -0.02372  -0.00036  -0.01530  -0.00925  -0.02472  -0.04845
   D105       0.00161  -0.00002  -0.00130  -0.00274  -0.00406  -0.00245
   D106      -3.13811  -0.00002   0.00100  -0.00182  -0.00083  -3.13894
   D107       3.13725  -0.00007  -0.00737  -0.00161  -0.00900   3.12826
   D108      -0.00247  -0.00007  -0.00507  -0.00068  -0.00576  -0.00823
   D109      -0.00366   0.00008   0.00309   0.00367   0.00680   0.00314
   D110      -3.13445   0.00005   0.00685   0.00443   0.01126  -3.12319
   D111       3.13605   0.00008   0.00078   0.00273   0.00352   3.13957
   D112       0.00525   0.00005   0.00454   0.00349   0.00798   0.01323
   D113       0.05269   0.00062   0.02112   0.02219   0.04331   0.09600
   D114      -3.08952   0.00063   0.02129   0.02253   0.04382  -3.04570
   D115      -3.08694   0.00062   0.02352   0.02316   0.04668  -3.04026
   D116       0.05403   0.00063   0.02369   0.02351   0.04719   0.10122
   D117      -3.14000   0.00014   0.00229   0.00578   0.00825  -3.13175
   D118      -0.03483   0.00008   0.00662   0.00234   0.00925  -0.02558
   D119       0.00205   0.00014   0.00170   0.00602   0.00791   0.00995
   D120       3.10721   0.00008   0.00604   0.00258   0.00891   3.11612
   D121       3.13759   0.00014   0.00275   0.00605   0.00896  -3.13663
   D122      -0.04414   0.00006   0.00369   0.00215   0.00615  -0.03799
   D123      -0.00445   0.00014   0.00335   0.00580   0.00931   0.00485
   D124       3.09700   0.00006   0.00429   0.00191   0.00649   3.10349
   D125      -3.14091   0.00013   0.00210   0.00575   0.00802  -3.13289
   D126      -0.03857   0.00004   0.00328   0.00162   0.00522  -0.03334
   D127       0.00052   0.00014   0.00138   0.00658   0.00814   0.00865
   D128       3.10286   0.00006   0.00256   0.00246   0.00534   3.10820
   D129       3.13798   0.00015   0.00287   0.00653   0.00957  -3.13564
   D130      -0.04094   0.00006   0.00503   0.00191   0.00725  -0.03370
   D131      -0.00345   0.00014   0.00360   0.00568   0.00945   0.00600
   D132       3.10082   0.00005   0.00576   0.00107   0.00713   3.10795
   D133      -3.14092  -0.00013  -0.00264  -0.00560  -0.00840   3.13387
   D134       0.03157  -0.00012  -0.00477  -0.00476  -0.00981   0.02176
   D135       0.00126  -0.00014  -0.00280  -0.00592  -0.00888  -0.00762
   D136      -3.10943  -0.00013  -0.00492  -0.00508  -0.01029  -3.11972
   D137      -3.13951  -0.00013  -0.00318  -0.00536  -0.00872   3.13496
   D138       0.02815  -0.00015  -0.00836  -0.00470  -0.01332   0.01483
   D139       0.00150  -0.00013  -0.00303  -0.00504  -0.00824  -0.00674
   D140      -3.11403  -0.00014  -0.00820  -0.00439  -0.01284  -3.12687
   D141       0.00263  -0.00030  -0.00494  -0.01303  -0.01805  -0.01542
   D142       3.05816   0.00047   0.00908   0.02221   0.03222   3.09038
   D143      -3.10095  -0.00021  -0.00548  -0.00912  -0.01479  -3.11574
   D144      -0.04543   0.00057   0.00854   0.02611   0.03548  -0.00994
   D145      -0.00284   0.00016   0.00336   0.00677   0.01025   0.00741
   D146       3.14040   0.00016   0.00381   0.00621   0.01014  -3.13264
   D147      -3.05697  -0.00075  -0.01308  -0.02979  -0.04198  -3.09895
   D148       0.08628  -0.00076  -0.01263  -0.03034  -0.04209   0.04419
   D149      -0.00002   0.00012   0.00153   0.00523   0.00687   0.00685
   D150      -3.05554  -0.00079  -0.01519  -0.03101  -0.04533  -3.10087
   D151       3.13992   0.00012   0.00108   0.00579   0.00698  -3.13629
   D152       0.08440  -0.00078  -0.01565  -0.03046  -0.04522   0.03917
   D153       0.63822   0.00245   0.20833   0.02694   0.23528   0.87350
   D154      -2.50175   0.00241   0.20757   0.02571   0.23329  -2.26846
   D155      -2.50165   0.00244   0.20878   0.02634   0.23512  -2.26653
   D156       0.64156   0.00240   0.20803   0.02511   0.23313   0.87470
   D157       0.00327  -0.00028  -0.00517  -0.01175  -0.01702  -0.01375
   D158      -3.10221  -0.00018  -0.00653  -0.00743  -0.01416  -3.11638
   D159       3.06009   0.00049   0.00919   0.02319   0.03330   3.09339
   D160      -0.04540   0.00059   0.00784   0.02750   0.03616  -0.00924
   D161       0.00184  -0.00029  -0.00490  -0.01250  -0.01748  -0.01564
   D162       3.05953   0.00050   0.01105   0.02265   0.03467   3.09421
   D163      -3.10446  -0.00023  -0.00849  -0.00925  -0.01797  -3.12243
   D164      -0.04676   0.00056   0.00745   0.02590   0.03418  -0.01258
   D165      -0.00336   0.00016   0.00287   0.00673   0.00971   0.00634
   D166       3.13962   0.00015   0.00378   0.00572   0.00959  -3.13397
   D167      -3.05970  -0.00077  -0.01551  -0.02972  -0.04431  -3.10401
   D168       0.08329  -0.00078  -0.01461  -0.03073  -0.04443   0.03886
   D169       0.00101   0.00011   0.00209   0.00482   0.00704   0.00805
   D170      -3.05329  -0.00080  -0.01359  -0.03185  -0.04457  -3.09786
   D171       3.14121   0.00013   0.00118   0.00584   0.00715  -3.13482
   D172       0.08691  -0.00078  -0.01450  -0.03083  -0.04446   0.04246
   D173      -2.49979   0.00251   0.21043   0.02908   0.23952  -2.26028
   D174       0.64080   0.00253   0.21012   0.02996   0.24009   0.88088
   D175       0.64325   0.00250   0.21136   0.02800   0.23936   0.88261
   D176      -2.49935   0.00251   0.21106   0.02888   0.23993  -2.25942
   D177       0.00302  -0.00027  -0.00536  -0.01138  -0.01685  -0.01383
   D178      -3.09973  -0.00018  -0.00550  -0.00778  -0.01347  -3.11321
   D179       3.05865   0.00050   0.00797   0.02393   0.03282   3.09147
   D180      -0.04410   0.00059   0.00784   0.02754   0.03619  -0.00790
   D181      -0.00295   0.00028   0.00593   0.01148   0.01750   0.01456
   D182      -3.06064  -0.00050  -0.00845  -0.02380  -0.03318  -3.09382
   D183       3.10882   0.00026   0.00755   0.01078   0.01856   3.12738
   D184       0.05113  -0.00052  -0.00682  -0.02450  -0.03213   0.01900
   D185       0.00179  -0.00014  -0.00301  -0.00572  -0.00885  -0.00706
   D186      -3.14067  -0.00014  -0.00366  -0.00565  -0.00943   3.13309
   D187       3.05811   0.00078   0.01372   0.03087   0.04372   3.10183
   D188      -0.08435   0.00077   0.01308   0.03094   0.04314  -0.04121
   D189       0.00091  -0.00012  -0.00271  -0.00501  -0.00782  -0.00691
   D190       3.05991   0.00079   0.01545   0.03109   0.04565   3.10555
   D191      -3.13981  -0.00012  -0.00207  -0.00508  -0.00724   3.13613
   D192      -0.08082   0.00080   0.01610   0.03102   0.04622  -0.03459
   D193       2.50070  -0.00247  -0.20760  -0.02819  -0.23581   2.26489
   D194      -0.64045  -0.00248  -0.20819  -0.02851  -0.23672  -0.87716
   D195      -0.64180  -0.00247  -0.20827  -0.02811  -0.23636  -0.87816
   D196       2.50024  -0.00248  -0.20885  -0.02843  -0.23727   2.26297
   D197      -0.00262   0.00026   0.00589   0.01065   0.01664   0.01402
   D198       3.11370   0.00027   0.01041   0.01013   0.02082   3.13452
   D199      -3.06292  -0.00052  -0.00991  -0.02415  -0.03504  -3.09796
   D200       0.05340  -0.00051  -0.00540  -0.02466  -0.03086   0.02255
   D201      -3.14095  -0.00007  -0.00207  -0.00150  -0.00356   3.13867
   D202       0.09832  -0.00069   0.00095  -0.02657  -0.02534   0.07298
   D203       0.00149  -0.00008  -0.00181  -0.00224  -0.00404  -0.00255
   D204      -3.04242  -0.00071   0.00120  -0.02731  -0.02582  -3.06824
   D205      -3.13959  -0.00006  -0.00222  -0.00127  -0.00348   3.14012
   D206       0.09933  -0.00067   0.00083  -0.02577  -0.02467   0.07466
   D207       0.00115  -0.00005  -0.00247  -0.00053  -0.00300  -0.00185
   D208      -3.04311  -0.00066   0.00058  -0.02503  -0.02419  -3.06731
   D209      -3.14025  -0.00009  -0.00355  -0.00191  -0.00545   3.13749
   D210       0.09914  -0.00069  -0.00018  -0.02642  -0.02634   0.07280
   D211      -0.00003  -0.00006  -0.00289  -0.00088  -0.00376  -0.00379
   D212      -3.04383  -0.00067   0.00048  -0.02539  -0.02465  -3.06848
   D213      -3.14042  -0.00004  -0.00076  -0.00087  -0.00163   3.14113
   D214       0.09934  -0.00065   0.00256  -0.02557  -0.02276   0.07658
   D215       0.00254  -0.00007  -0.00142  -0.00191  -0.00332  -0.00077
   D216      -3.04088  -0.00068   0.00190  -0.02661  -0.02445  -3.06532
   D217       3.13968   0.00005   0.00119   0.00118   0.00237  -3.14113
   D218      -0.09988   0.00065  -0.00182   0.02528   0.02320  -0.07667
   D219      -0.00229   0.00006   0.00170   0.00145   0.00314   0.00085
   D220       3.04134   0.00066  -0.00132   0.02555   0.02398   3.06531
   D221       3.14095   0.00008   0.00311   0.00177   0.00488  -3.13736
   D222      -0.09828   0.00069  -0.00027   0.02616   0.02564  -0.07265
   D223      -0.00027   0.00007   0.00261   0.00151   0.00411   0.00384
   D224       3.04369   0.00068  -0.00078   0.02589   0.02486   3.06855
   D225      -0.00242   0.00017   0.00596   0.00325   0.00917   0.00675
   D226      -3.13077   0.00021   0.00987   0.00426   0.01392  -3.11684
   D227       3.05330   0.00039   0.00114   0.02298   0.02455   3.07785
   D228      -0.07504   0.00043   0.00505   0.02399   0.02930  -0.04574
   D229       3.10452   0.00009  -0.01279   0.00473  -0.00829   3.09624
   D230       0.00252  -0.00044  -0.02547  -0.01387  -0.03902  -0.03650
   D231       0.07007  -0.00041  -0.00856  -0.02078  -0.02962   0.04045
   D232      -3.03194  -0.00094  -0.02124  -0.03938  -0.06035  -3.09229
   D233       0.00393  -0.00021  -0.00674  -0.00436  -0.01105  -0.00712
   D234       3.12876  -0.00030  -0.01188  -0.00542  -0.01730   3.11146
   D235       3.13007  -0.00030  -0.01147  -0.00580  -0.01727   3.11280
   D236      -0.02829  -0.00039  -0.01662  -0.00687  -0.02351  -0.05180
   D237       0.02620  -0.00017  -0.00010  -0.00951  -0.00948   0.01672
   D238      -3.12913  -0.00013   0.00020  -0.00595  -0.00564  -3.13477
   D239      -3.09826  -0.00009   0.00506  -0.00801  -0.00288  -3.10114
   D240       0.02960  -0.00004   0.00536  -0.00445   0.00096   0.03055
   D241      -0.00401   0.00017   0.00505   0.00389   0.00889   0.00489
   D242       3.05140   0.00039   0.00029   0.02369   0.02443   3.07583
   D243      -3.13123   0.00021   0.00929   0.00456   0.01363  -3.11760
   D244      -0.07583   0.00043   0.00454   0.02436   0.02916  -0.04666
   D245      -3.09635  -0.00010   0.00584  -0.00880  -0.00290  -3.09925
   D246       0.03017  -0.00004   0.00557  -0.00479   0.00082   0.03099
   D247       0.02666  -0.00018   0.00023  -0.00987  -0.00950   0.01715
   D248      -3.13001  -0.00013  -0.00004  -0.00586  -0.00579  -3.13580
   D249       3.10455   0.00010  -0.01260   0.00479  -0.00804   3.09651
   D250       0.00505  -0.00042  -0.02329  -0.01392  -0.03693  -0.03188
   D251       0.07051  -0.00041  -0.00843  -0.02091  -0.02962   0.04089
   D252      -3.02899  -0.00093  -0.01913  -0.03961  -0.05852  -3.08751
   D253      -0.00348   0.00018   0.00527   0.00408   0.00930   0.00582
   D254      -3.13129   0.00021   0.00931   0.00458   0.01366  -3.11762
   D255       3.05239   0.00041   0.00082   0.02416   0.02544   3.07783
   D256      -0.07542   0.00044   0.00486   0.02466   0.02980  -0.04562
   D257       3.10481   0.00010  -0.01257   0.00480  -0.00802   3.09679
   D258       0.00383  -0.00044  -0.02429  -0.01413  -0.03812  -0.03429
   D259       0.07019  -0.00042  -0.00875  -0.02128  -0.03032   0.03987
   D260      -3.03078  -0.00095  -0.02047  -0.04021  -0.06043  -3.09121
   D261       0.00412  -0.00021  -0.00669  -0.00433  -0.01098  -0.00686
   D262       3.12985  -0.00030  -0.01152  -0.00590  -0.01741   3.11244
   D263       3.12964  -0.00029  -0.01158  -0.00520  -0.01676   3.11287
   D264      -0.02782  -0.00038  -0.01641  -0.00677  -0.02320  -0.05102
   D265       0.02650  -0.00018   0.00020  -0.00984  -0.00951   0.01699
   D266      -3.12942  -0.00013   0.00023  -0.00588  -0.00554  -3.13496
   D267      -3.09727  -0.00010   0.00554  -0.00899  -0.00339  -3.10066
   D268       0.03000  -0.00005   0.00556  -0.00503   0.00058   0.03058
   D269      -0.00327   0.00016   0.00567   0.00303   0.00866   0.00539
   D270       3.05286   0.00039   0.00114   0.02276   0.02434   3.07719
   D271      -3.13126   0.00020   0.00965   0.00414   0.01357  -3.11769
   D272      -0.07513   0.00043   0.00511   0.02387   0.02925  -0.04588
   D273      -3.09768  -0.00008   0.00535  -0.00783  -0.00242  -3.10010
   D274       0.02961  -0.00004   0.00528  -0.00433   0.00100   0.03061
   D275       0.02631  -0.00017   0.00009  -0.00946  -0.00924   0.01707
   D276      -3.12958  -0.00013   0.00002  -0.00596  -0.00583  -3.13541
   D277       3.10495   0.00009  -0.01275   0.00480  -0.00818   3.09677
   D278       0.00410  -0.00043  -0.02445  -0.01362  -0.03778  -0.03368
   D279       0.06997  -0.00041  -0.00888  -0.02069  -0.02985   0.04012
   D280      -3.03088  -0.00093  -0.02059  -0.03911  -0.05945  -3.09033
   D281       0.00388  -0.00017  -0.00522  -0.00378  -0.00895  -0.00506
   D282       3.13123  -0.00021  -0.00931  -0.00467  -0.01376   3.11747
   D283      -3.05168  -0.00039  -0.00073  -0.02307  -0.02424  -3.07592
   D284       0.07567  -0.00043  -0.00483  -0.02396  -0.02905   0.04661
   D285      -3.10481  -0.00008   0.01219  -0.00407   0.00834  -3.09647
   D286      -0.00463   0.00043   0.02354   0.01400   0.03727   0.03264
   D287      -0.07056   0.00041   0.00836   0.02096   0.02960  -0.04096
   D288       3.02963   0.00092   0.01972   0.03904   0.05853   3.08816
   D289      -0.00399   0.00022   0.00673   0.00463   0.01132   0.00733
   D290      -3.12991   0.00030   0.01137   0.00574   0.01711  -3.11280
   D291      -3.12897   0.00031   0.01170   0.00595   0.01765  -3.11132
   D292       0.02830   0.00039   0.01634   0.00707   0.02344   0.05174
   D293      -0.02646   0.00017   0.00015   0.00933   0.00934  -0.01712
   D294       3.12989   0.00013   0.00004   0.00588   0.00582   3.13571
   D295       3.09671   0.00008  -0.00527   0.00797   0.00263   3.09935
   D296      -0.03012   0.00004  -0.00537   0.00452  -0.00089  -0.03102
   D297       0.00264  -0.00018  -0.00578  -0.00380  -0.00954  -0.00690
   D298      -3.05324  -0.00040  -0.00099  -0.02337  -0.02480  -3.07804
   D299       3.13080  -0.00021  -0.00961  -0.00452  -0.01394   3.11686
   D300       0.07491  -0.00043  -0.00482  -0.02409  -0.02919   0.04573
   D301       3.09806   0.00009  -0.00523   0.00826   0.00297   3.10103
   D302      -0.02974   0.00005  -0.00537   0.00477  -0.00064  -0.03038
   D303      -0.02615   0.00017  -0.00016   0.00939   0.00910  -0.01705
   D304       3.12923   0.00013  -0.00031   0.00590   0.00549   3.13472
   D305      -3.10453  -0.00008   0.01274  -0.00433   0.00864  -3.09590
   D306      -0.00279   0.00045   0.02511   0.01426   0.03906   0.03627
   D307      -0.06989   0.00041   0.00852   0.02102   0.02982  -0.04007
   D308       3.03184   0.00094   0.02089   0.03961   0.06024   3.09209
   D309       0.02527  -0.00021  -0.00149  -0.00812  -0.00955   0.01572
   D310       3.14081   0.00012   0.00916   0.00351   0.01272  -3.12965
   D311      -3.10117  -0.00026  -0.00117  -0.01218  -0.01326  -3.11443
   D312       0.01437   0.00007   0.00949  -0.00054   0.00901   0.02337
   D313      -0.02971   0.00020  -0.00279   0.01119   0.00841  -0.02130
   D314       3.09848   0.00041   0.01118   0.01452   0.02565   3.12413
   D315       3.13788  -0.00013  -0.01349  -0.00041  -0.01382   3.12406
   D316      -0.01712   0.00007   0.00048   0.00292   0.00343  -0.01369
   D317      -0.01872   0.00018   0.00807   0.00401   0.01180  -0.00692
   D318       3.08196   0.00063   0.01745   0.02174   0.03945   3.12141
   D319       3.13614  -0.00002  -0.00573   0.00074  -0.00529   3.13085
   D320      -0.04637   0.00043   0.00364   0.01847   0.02236  -0.02400
   D321      -0.01893   0.00018   0.00764   0.00414   0.01149  -0.00745
   D322       3.13443  -0.00003  -0.00714   0.00084  -0.00660   3.12783
   D323       3.08418   0.00064   0.01897   0.02180   0.04107   3.12525
   D324      -0.04564   0.00043   0.00419   0.01851   0.02298  -0.02266
   D325      -0.02917   0.00020  -0.00217   0.01102   0.00887  -0.02030
   D326       3.13677  -0.00013  -0.01390  -0.00029  -0.01410   3.12267
   D327       3.10053   0.00042   0.01279   0.01437   0.02712   3.12765
   D328      -0.01671   0.00008   0.00106   0.00306   0.00415  -0.01256
   D329       0.02508  -0.00021  -0.00172  -0.00820  -0.00985   0.01523
   D330      -3.10270  -0.00026  -0.00197  -0.01180  -0.01369  -3.11639
   D331      -3.14092   0.00012   0.00997   0.00315   0.01317  -3.12775
   D332       0.01448   0.00007   0.00971  -0.00046   0.00933   0.02381
   D333       0.02512  -0.00021  -0.00191  -0.00815  -0.00998   0.01514
   D334       3.14150   0.00012   0.00941   0.00313   0.01260  -3.12909
   D335      -3.10209  -0.00026  -0.00179  -0.01170  -0.01340  -3.11549
   D336       0.01429   0.00007   0.00954  -0.00042   0.00918   0.02347
   D337      -0.02941   0.00020  -0.00225   0.01094   0.00871  -0.02070
   D338       3.09951   0.00041   0.01210   0.01425   0.02630   3.12580
   D339       3.13733  -0.00013  -0.01361  -0.00030  -0.01382   3.12351
   D340      -0.01694   0.00008   0.00074   0.00300   0.00377  -0.01317
   D341      -0.01868   0.00018   0.00797   0.00414   0.01183  -0.00685
   D342       3.08330   0.00063   0.01834   0.02163   0.04024   3.12355
   D343       3.13547  -0.00002  -0.00621   0.00089  -0.00561   3.12986
   D344      -0.04574   0.00043   0.00416   0.01838   0.02281  -0.02293
   D345      -0.01873   0.00019   0.00810   0.00414   0.01194  -0.00679
   D346       3.13526  -0.00002  -0.00632   0.00077  -0.00586   3.12941
   D347       3.08337   0.00065   0.01849   0.02210   0.04087   3.12423
   D348      -0.04583   0.00044   0.00407   0.01873   0.02307  -0.02276
   D349      -0.02949   0.00021  -0.00253   0.01141   0.00890  -0.02059
   D350       3.13717  -0.00013  -0.01389  -0.00038  -0.01419   3.12299
   D351       3.09959   0.00042   0.01206   0.01484   0.02685   3.12644
   D352      -0.01694   0.00008   0.00070   0.00304   0.00377  -0.01317
   D353       0.02513  -0.00022  -0.00174  -0.00842  -0.01009   0.01504
   D354      -3.10205  -0.00027  -0.00172  -0.01243  -0.01407  -3.11612
   D355      -3.14158   0.00012   0.00958   0.00341   0.01304  -3.12855
   D356       0.01441   0.00007   0.00959  -0.00060   0.00906   0.02348
   D357      -0.02511   0.00022   0.00182   0.00843   0.01019  -0.01492
   D358       3.14103  -0.00012  -0.00982  -0.00303  -0.01290   3.12813
   D359       3.10262   0.00026   0.00193   0.01196   0.01380   3.11642
   D360      -0.01443  -0.00007  -0.00972   0.00050  -0.00929  -0.02372
   D361       0.02926  -0.00020   0.00224  -0.01113  -0.00889   0.02036
   D362      -3.10048  -0.00042  -0.01249  -0.01445  -0.02690  -3.12737
   D363      -3.13683   0.00013   0.01393   0.00030   0.01415  -3.12268
   D364       0.01663  -0.00008  -0.00080  -0.00303  -0.00385   0.01277
   D365       0.01878  -0.00019  -0.00774  -0.00428  -0.01173   0.00705
   D366      -3.08407  -0.00064  -0.01877  -0.02194  -0.04100  -3.12507
   D367      -3.13456   0.00002   0.00682  -0.00101   0.00611  -3.12844
   D368       0.04578  -0.00044  -0.00422  -0.01866  -0.02316   0.02262
   D369       0.01895  -0.00019  -0.00772  -0.00437  -0.01181   0.00714
   D370      -3.13576   0.00001   0.00621  -0.00109   0.00541  -3.13036
   D371      -3.08240  -0.00063  -0.01776  -0.02150  -0.03951  -3.12192
   D372       0.04607  -0.00042  -0.00383  -0.01822  -0.02230   0.02377
   D373       0.02951  -0.00020   0.00253  -0.01097  -0.00845   0.02106
   D374      -3.13776   0.00013   0.01343   0.00038   0.01373  -3.12404
   D375      -3.09883  -0.00041  -0.01158  -0.01431  -0.02582  -3.12466
   D376       0.01708  -0.00008  -0.00067  -0.00295  -0.00365   0.01344
   D377      -0.02529   0.00021   0.00138   0.00836   0.00967  -0.01561
   D378       3.10147   0.00026   0.00144   0.01185   0.01320   3.11467
   D379      -3.14114  -0.00012  -0.00948  -0.00303  -0.01255   3.12949
   D380      -0.01438  -0.00007  -0.00942   0.00046  -0.00902  -0.02341
         Item               Value     Threshold  Converged?
 Maximum Force            0.007172     0.000450     NO 
 RMS     Force            0.001154     0.000300     NO 
 Maximum Displacement     1.265366     0.001800     NO 
 RMS     Displacement     0.256501     0.001200     NO 
 Predicted change in Energy=-1.356723D-02
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C74H46ClN5
 Framework group  C1[X(C74H46ClN5)]
 Deg. of freedom   372
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        1.276016    2.453060   -0.158233
      2          6           0        1.601854    1.092969   -0.170694
      3          6           0        0.629728    0.077989   -0.131163
      4          6           0       -0.730237    0.457546   -0.088177
      5          6           0       -1.067949    1.822503   -0.071763
      6          6           0       -0.093293    2.795922   -0.103733
      7          6           0        0.993451   -1.359066   -0.104734
      8          6           0       -0.026809   -2.349666   -0.085202
      9          6           0       -1.403821   -1.934590   -0.126909
     10          6           0       -1.786861   -0.554886   -0.078211
     11          6           0        2.328837   -1.783498   -0.065077
     12          6           0        2.696622   -3.131398    0.023979
     13          6           0        1.658953   -4.086571    0.092122
     14          6           0        0.336601   -3.707112    0.043214
     15          7           0       -2.404791   -2.835238   -0.202088
     16          6           0       -3.726946   -2.494564   -0.173627
     17          6           0       -4.033490   -1.110094   -0.089994
     18          7           0       -3.055861   -0.166734   -0.055438
     19          6           0       -4.750652   -3.453656   -0.229193
     20          6           0       -6.057639   -3.032257   -0.211890
     21          6           0       -6.420208   -1.647611   -0.134970
     22          6           0       -5.393010   -0.718241   -0.073837
     23          6           0        2.338374    3.508915   -0.198679
     24          6           0        4.133136   -3.544290    0.068517
     25          6           0       -7.859715   -1.236167   -0.115488
     26          6           0        4.511280   -4.851231    0.430204
     27          6           0        5.842767   -5.241560    0.484417
     28          6           0        6.853376   -4.329589    0.156277
     29          6           0        6.504981   -3.024970   -0.215970
     30          6           0        5.169946   -2.646576   -0.248493
     31          6           0        2.025243    4.855670   -0.459759
     32          6           0        3.003005    5.841171   -0.511097
     33          6           0        4.343123    5.509263   -0.281204
     34          6           0        4.682113    4.178425   -0.008483
     35          6           0        3.693988    3.203285    0.022024
     36          6           0       -8.901409   -2.179687   -0.056491
     37          6           0      -10.237140   -1.797831   -0.029294
     38          6           0      -10.578380   -0.441661   -0.078315
     39          6           0       -9.560730    0.518877   -0.146046
     40          6           0       -8.231447    0.121190   -0.155580
     41          7           0        5.347907    6.509636   -0.322207
     42          7           0        8.214628   -4.721033    0.197926
     43          7           0      -11.938319   -0.042387   -0.061504
     44          6           0        8.768656   -5.874905   -0.403710
     45          6           0       10.159164   -5.907302   -0.139193
     46          6           0       10.470326   -4.737613    0.660493
     47          6           0        9.260798   -4.026370    0.848609
     48          6           0        6.553207    6.447537   -1.057855
     49          6           0        7.285604    7.639877   -0.840829
     50          6           0        6.506726    8.460920    0.066423
     51          6           0        5.321800    7.745222    0.364399
     52          6           0      -12.509624    0.930433    0.791405
     53          6           0      -13.890632    1.041542    0.500136
     54          6           0      -14.177942    0.109666   -0.573800
     55          6           0      -12.964302   -0.545347   -0.894507
     56          6           0       11.646371   -4.252775    1.243114
     57          6           0       11.595565   -3.094003    2.010930
     58          6           0       10.378537   -2.426430    2.217250
     59          6           0        9.191721   -2.881481    1.645034
     60          6           0        8.148311   -6.824172   -1.218521
     61          6           0        8.944310   -7.847372   -1.730863
     62          6           0       10.317192   -7.919796   -1.449276
     63          6           0       10.930910   -6.949951   -0.663417
     64          6           0        6.718648    9.710277    0.659788
     65          6           0        5.769568   10.210972    1.544733
     66          6           0        4.620557    9.467556    1.855901
     67          6           0        4.378482    8.223191    1.276493
     68          6           0        6.988695    5.463518   -1.947914
     69          6           0        8.208541    5.673391   -2.588806
     70          6           0        8.968910    6.830299   -2.358416
     71          6           0        8.509651    7.819031   -1.494520
     72          6           0      -15.335673   -0.204679   -1.293787
     73          6           0      -15.262979   -1.138775   -2.321897
     74          6           0      -14.041635   -1.747831   -2.648573
     75          6           0      -12.872790   -1.459862   -1.945804
     76          6           0      -11.914226    1.640028    1.836375
     77          6           0      -12.724577    2.511220    2.562485
     78          6           0      -14.087254    2.665970    2.264684
     79          6           0      -14.677012    1.928781    1.243202
     80          1           0       -2.175657   -3.822862   -0.190974
     81          1           0        2.639565    0.808709   -0.237281
     82          1           0       -2.122173    2.072022   -0.030178
     83          1           0       -0.387120    3.837205   -0.065509
     84          1           0        3.102706   -1.033261   -0.052646
     85          1           0        1.894870   -5.138144    0.184742
     86          1           0       -0.423426   -4.468394    0.170635
     87          1           0       -4.495939   -4.508006   -0.232992
     88          1           0       -6.838647   -3.779593   -0.248092
     89          1           0       -5.575497    0.345115    0.002767
     90          1           0        3.756231   -5.574370    0.714008
     91          1           0        6.115793   -6.239588    0.811042
     92          1           0        7.287207   -2.331343   -0.506607
     93          1           0        4.933047   -1.637285   -0.563684
     94          1           0        1.000014    5.143173   -0.660378
     95          1           0        2.746111    6.866327   -0.757030
     96          1           0        5.715663    3.929985    0.209898
     97          1           0        3.986308    2.187978    0.262469
     98          1           0       -8.678030   -3.238240   -0.003165
     99          1           0      -11.024229   -2.539162    0.060716
    100          1           0       -9.827481    1.568154   -0.218078
    101          1           0       -7.469415    0.888792   -0.215369
    102          1           0       12.583251   -4.785553    1.102583
    103          1           0       12.503088   -2.701188    2.459321
    104          1           0       10.355023   -1.531363    2.833601
    105          1           0        8.248311   -2.376793    1.819122
    106          1           0        7.090923   -6.759637   -1.448058
    107          1           0        8.484099   -8.607025   -2.357581
    108          1           0       10.902546   -8.741172   -1.851375
    109          1           0       11.998397   -6.990934   -0.463116
    110          1           0        7.620957   10.273313    0.435720
    111          1           0        5.916491   11.184343    2.002927
    112          1           0        3.896736    9.868265    2.561006
    113          1           0        3.499446    7.641403    1.529054
    114          1           0        6.393055    4.577762   -2.137156
    115          1           0        8.576707    4.917753   -3.278130
    116          1           0        9.922952    6.951811   -2.862395
    117          1           0        9.085440    8.726557   -1.332514
    118          1           0      -16.275589    0.285676   -1.054096
    119          1           0      -16.156831   -1.400695   -2.879920
    120          1           0      -14.000981   -2.465752   -3.463803
    121          1           0      -11.926270   -1.918745   -2.207604
    122          1           0      -10.865908    1.507184    2.078036
    123          1           0      -12.284142    3.084013    3.374580
    124          1           0      -14.683985    3.366197    2.841356
    125          1           0      -15.737507    2.028441    1.026937
    126         17           0       -2.125567   -4.437967    2.206534
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           0.0227526           0.0073664           0.0057352
 Standard basis: 6-31G(d,p) (6D, 7F)
 There are  1434 symmetry adapted cartesian basis functions of A   symmetry.
 There are  1434 symmetry adapted basis functions of A   symmetry.
  1434 basis functions,  2586 primitive gaussians,  1434 cartesian basis functions
   271 alpha electrons      271 beta electrons
       nuclear repulsion energy     10540.1711329380 Hartrees.
 NAtoms=  126 NActive=  126 NUniq=  126 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=T Big=T
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 One-electron integrals computed using PRISM.
 NBasis=  1434 RedAO= T EigKep=  1.49D-04  NBF=  1434
 NBsUse=  1434 1.00D-06 EigRej= -1.00D+00 NBFU=  1434
 Initial guess from the checkpoint file:  "ph.chk"
 B after Tr=    -0.000000   -0.000000    0.000000
         Rot=    0.999960   -0.008959   -0.000158    0.000664 Ang=  -1.03 deg.
 ExpMin= 1.43D-01 ExpMax= 2.52D+04 ExpMxC= 3.78D+03 IAcc=2 IRadAn=         4 AccDes= 0.00D+00
 Harris functional with IExCor=  402 and IRadAn=       4 diagonalized for initial guess.
 HarFok:  IExCor=  402 AccDes= 0.00D+00 IRadAn=         4 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=        2001
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Petite list used in FoFCou.
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Integral accuracy reduced to 1.0D-05 until final iterations.
 Initial convergence to 1.0D-05 achieved.  Increase integral accuracy.
 SCF Done:  E(RB3LYP) =  -3581.74477319     A.U. after   17 cycles
            NFock= 17  Conv=0.30D-08     -V/T= 2.0089
 Calling FoFJK, ICntrl=      2127 FMM=T ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.005938101    0.002166298   -0.000473106
      2        6           0.002741250    0.001329094    0.001190484
      3        6          -0.001420880   -0.005507136   -0.000082315
      4        6           0.002974003   -0.000093279    0.000010873
      5        6           0.003107684   -0.002359455    0.000485834
      6        6          -0.001977165    0.000906812   -0.001224599
      7        6          -0.001424326    0.004747448    0.000274311
      8        6          -0.000148870    0.001749921   -0.001957126
      9        6           0.002152806   -0.001841021    0.002768464
     10        6          -0.003314716    0.002889674    0.000316097
     11        6           0.002830600    0.000866035   -0.001339251
     12        6          -0.004498183   -0.004335735   -0.000306216
     13        6          -0.004465899   -0.000125527    0.000452354
     14        6           0.002431330    0.000468091    0.002426590
     15        7          -0.002333858    0.006761323   -0.000889705
     16        6          -0.004574238    0.000291108    0.000946709
     17        6          -0.000133853    0.002197750    0.001277757
     18        7           0.001752553   -0.001970789    0.000524861
     19        6           0.000627033   -0.002122138   -0.001151960
     20        6           0.000959669    0.003766002   -0.000441934
     21        6           0.005488003    0.000702195    0.000412805
     22        6          -0.001520264   -0.000329208   -0.001000702
     23        6           0.004283437   -0.002299977    0.000448787
     24        6           0.003721509    0.002588327    0.000291539
     25        6          -0.004416006   -0.002027373    0.000116061
     26        6           0.002209999    0.000266620   -0.000914304
     27        6          -0.001289295    0.000948820   -0.000548539
     28        6          -0.005080623   -0.003112434   -0.000122873
     29        6           0.000093896   -0.001507167    0.000464184
     30        6           0.001105276    0.001676559    0.000965789
     31        6           0.002024076   -0.000081405    0.000946579
     32        6          -0.001076963   -0.000917695    0.000494830
     33        6          -0.005653292    0.003000967   -0.000423297
     34        6           0.000233912    0.001334811   -0.000683107
     35        6           0.001145360   -0.001684235   -0.000865060
     36        6          -0.000752903   -0.001744161   -0.000112806
     37        6          -0.000280067    0.001253602   -0.000932448
     38        6           0.005286129    0.003468302    0.000067303
     39        6           0.001056819   -0.000732303    0.000754768
     40        6          -0.001787653   -0.000177478   -0.000003749
     41        7          -0.006227321    0.003516764   -0.000503194
     42        7          -0.006418990   -0.004159594   -0.000425837
     43        7           0.006179729    0.003795597   -0.000126683
     44        6           0.001786574    0.010264295   -0.001983648
     45        6           0.000076477    0.000449030   -0.000314796
     46        6           0.000386549   -0.000157258    0.000343232
     47        6           0.009968661   -0.002796493    0.002603080
     48        6           0.009672268    0.003304914   -0.001880214
     49        6           0.000462224    0.000067060   -0.000267457
     50        6           0.000139397   -0.000394682    0.000312068
     51        6           0.002208104   -0.009804752    0.002819086
     52        6          -0.002143657   -0.009384979    0.004039820
     53        6          -0.000146799   -0.000341218    0.000375816
     54        6          -0.000408547   -0.000017345   -0.000382085
     55        6          -0.009408600    0.002108624   -0.003882167
     56        6          -0.000334145   -0.001709025    0.000944637
     57        6          -0.001152758    0.000137698   -0.000253323
     58        6           0.001115827    0.002922264   -0.000266038
     59        6          -0.001531118   -0.001094557    0.000781789
     60        6          -0.001551448   -0.000879400   -0.000982545
     61        6           0.003102609   -0.000281513    0.000422494
     62        6          -0.000363691   -0.001105392    0.000168182
     63        6          -0.001650743    0.000448157   -0.001032699
     64        6          -0.001689069   -0.000517207    0.000960890
     65        6          -0.000382801    0.001062909   -0.000301623
     66        6           0.003084174    0.000479502   -0.000265701
     67        6          -0.001706450    0.000782606    0.000838416
     68        6          -0.001461303    0.000940456   -0.001050668
     69        6           0.001201122   -0.002839741    0.000583698
     70        6          -0.001122438   -0.000215373    0.000163495
     71        6          -0.000384142    0.001612673   -0.001105238
     72        6           0.000463353    0.001477319   -0.001282168
     73        6           0.001102963   -0.000105230    0.000367708
     74        6          -0.001113179   -0.002817721    0.000820240
     75        6           0.001562574    0.000866796   -0.000954546
     76        6           0.001495409    0.001054183    0.000914172
     77        6          -0.003012132    0.000162362   -0.000824424
     78        6           0.000374936    0.001022393   -0.000405519
     79        6           0.001528458   -0.000210645    0.001284912
     80        1           0.002471137   -0.005947631   -0.009253952
     81        1          -0.001717528   -0.000371237    0.000628205
     82        1          -0.001316615    0.001568022   -0.000235267
     83        1           0.001180417    0.000461261   -0.000335892
     84        1          -0.001699023    0.000176603   -0.000473562
     85        1           0.001336944   -0.000435020    0.000375672
     86        1           0.000307247   -0.000892217   -0.001093760
     87        1           0.000206586    0.000184888   -0.000008405
     88        1          -0.000446928   -0.001500002    0.000474939
     89        1          -0.000147207    0.000455412   -0.000186420
     90        1          -0.000110766   -0.000480004   -0.000578981
     91        1           0.001074645    0.000473317    0.000507595
     92        1           0.000916617    0.000744387   -0.000358546
     93        1          -0.000521597    0.000268960    0.000721543
     94        1          -0.000184006    0.000543344    0.000697042
     95        1           0.001086851   -0.000412560   -0.000355712
     96        1           0.000937794   -0.000649849    0.000545812
     97        1          -0.000492666   -0.000344704   -0.000639221
     98        1           0.000733601   -0.000053072   -0.000361827
     99        1          -0.000941534   -0.000674381    0.000520050
    100        1          -0.001011458   -0.000579568   -0.000446437
    101        1           0.000138397    0.000816530    0.000490735
    102        1          -0.000080968    0.000639912   -0.000358956
    103        1           0.000286891   -0.000441158   -0.000203768
    104        1          -0.000158983   -0.000745561    0.000181258
    105        1          -0.000734939    0.000507484   -0.000471938
    106        1           0.000128526   -0.000867999    0.000469449
    107        1          -0.000741696    0.000221373   -0.000205620
    108        1          -0.000289353    0.000455578    0.000217184
    109        1           0.000511782   -0.000359397    0.000376517
    110        1           0.000527144    0.000360223   -0.000362463
    111        1          -0.000244265   -0.000481771   -0.000190634
    112        1          -0.000736911   -0.000235256    0.000180786
    113        1           0.000141227    0.000833022   -0.000499756
    114        1          -0.000757577   -0.000509928    0.000499631
    115        1          -0.000177665    0.000732785   -0.000246510
    116        1           0.000248464    0.000479029    0.000199806
    117        1          -0.000069284   -0.000616303    0.000412016
    118        1           0.000034309   -0.000535569    0.000506659
    119        1          -0.000313852    0.000485079    0.000078003
    120        1           0.000158677    0.000710750   -0.000328730
    121        1           0.000646321   -0.000370536    0.000666013
    122        1          -0.000080129    0.000746948   -0.000634348
    123        1           0.000708667   -0.000133856    0.000330244
    124        1           0.000299822   -0.000478384   -0.000067941
    125        1          -0.000480320    0.000255909   -0.000498753
    126       17           0.001532943   -0.002059574    0.006901197
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.010264295 RMS     0.002184491

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.007912334 RMS     0.001142129
 Search for a local minimum.
 Step number   6 out of a maximum of  756
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- RFO/linear search
 Update second derivatives using D2CorX and points    5    6
 DE= -1.62D-02 DEPred=-1.36D-02 R= 1.20D+00
 TightC=F SS=  1.41D+00  RLast= 1.26D+00 DXNew= 2.4000D+00 3.7810D+00
 Trust test= 1.20D+00 RLast= 1.26D+00 DXMaxT set to 2.40D+00
 ITU=  1  1  1  0  1  0
 Use linear search instead of GDIIS.
     Eigenvalues ---    0.00627   0.02300   0.02576   0.02592   0.02670
     Eigenvalues ---    0.02675   0.02689   0.02691   0.02693   0.02702
     Eigenvalues ---    0.02705   0.02705   0.02706   0.02711   0.02716
     Eigenvalues ---    0.02718   0.02720   0.02726   0.02740   0.02755
     Eigenvalues ---    0.02758   0.02764   0.02767   0.02768   0.02768
     Eigenvalues ---    0.02773   0.02777   0.02786   0.02786   0.02786
     Eigenvalues ---    0.02790   0.02791   0.02792   0.02792   0.02793
     Eigenvalues ---    0.02793   0.02793   0.02793   0.02793   0.02800
     Eigenvalues ---    0.02801   0.02801   0.02802   0.02802   0.02803
     Eigenvalues ---    0.02808   0.02809   0.02809   0.02809   0.02809
     Eigenvalues ---    0.02811   0.02818   0.02819   0.02819   0.02819
     Eigenvalues ---    0.02820   0.02820   0.02820   0.02831   0.02834
     Eigenvalues ---    0.02836   0.02837   0.02841   0.02845   0.02845
     Eigenvalues ---    0.02845   0.02845   0.02845   0.02854   0.02856
     Eigenvalues ---    0.02861   0.02863   0.02867   0.02869   0.02869
     Eigenvalues ---    0.02869   0.02871   0.02872   0.02873   0.02876
     Eigenvalues ---    0.02877   0.02877   0.02877   0.02877   0.02881
     Eigenvalues ---    0.02884   0.02884   0.02885   0.02885   0.02885
     Eigenvalues ---    0.02885   0.02886   0.02886   0.02886   0.02891
     Eigenvalues ---    0.02894   0.02895   0.02896   0.02899   0.02899
     Eigenvalues ---    0.02901   0.02910   0.02910   0.02910   0.02911
     Eigenvalues ---    0.02912   0.02912   0.02925   0.02943   0.02948
     Eigenvalues ---    0.02948   0.02983   0.03025   0.03025   0.03025
     Eigenvalues ---    0.03077   0.03136   0.03136   0.03136   0.03150
     Eigenvalues ---    0.03151   0.03251   0.03811   0.05433   0.15777
     Eigenvalues ---    0.15931   0.15968   0.15977   0.15980   0.15985
     Eigenvalues ---    0.15987   0.15989   0.15990   0.15992   0.15993
     Eigenvalues ---    0.15994   0.15995   0.15995   0.15995   0.15996
     Eigenvalues ---    0.15996   0.15997   0.15998   0.15999   0.15999
     Eigenvalues ---    0.15999   0.15999   0.15999   0.15999   0.15999
     Eigenvalues ---    0.15999   0.15999   0.15999   0.15999   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16006   0.16115   0.16291
     Eigenvalues ---    0.18628   0.21999   0.21999   0.21999   0.21999
     Eigenvalues ---    0.21999   0.22001   0.22001   0.22002   0.22050
     Eigenvalues ---    0.22402   0.22415   0.22431   0.22593   0.22593
     Eigenvalues ---    0.22595   0.22596   0.22596   0.22680   0.22961
     Eigenvalues ---    0.22961   0.23050   0.23426   0.23482   0.23509
     Eigenvalues ---    0.23623   0.23997   0.24000   0.24156   0.24438
     Eigenvalues ---    0.24438   0.24439   0.24472   0.24473   0.24565
     Eigenvalues ---    0.24595   0.24646   0.24674   0.24918   0.24930
     Eigenvalues ---    0.24931   0.24936   0.24936   0.24937   0.24982
     Eigenvalues ---    0.24992   0.24995   0.24998   0.24999   0.25000
     Eigenvalues ---    0.25000   0.25000   0.25000   0.25000   0.25000
     Eigenvalues ---    0.25000   0.25000   0.25014   0.25065   0.25242
     Eigenvalues ---    0.26603   0.33222   0.33248   0.33252   0.33254
     Eigenvalues ---    0.33256   0.33257   0.33291   0.33322   0.33390
     Eigenvalues ---    0.33393   0.33396   0.33399   0.33401   0.33433
     Eigenvalues ---    0.33562   0.33567   0.33570   0.33572   0.33577
     Eigenvalues ---    0.33613   0.33616   0.33632   0.33642   0.33645
     Eigenvalues ---    0.33650   0.33660   0.33678   0.33690   0.33705
     Eigenvalues ---    0.33714   0.33731   0.33813   0.33829   0.33831
     Eigenvalues ---    0.33835   0.33840   0.33891   0.33929   0.33930
     Eigenvalues ---    0.33932   0.33936   0.33940   0.34984   0.35001
     Eigenvalues ---    0.35188   0.42423   0.44438   0.44439   0.44440
     Eigenvalues ---    0.44946   0.45603   0.48149   0.48939   0.48940
     Eigenvalues ---    0.49051   0.49270   0.49324   0.49765   0.49769
     Eigenvalues ---    0.49782   0.49901   0.49963   0.49985   0.50078
     Eigenvalues ---    0.50301   0.50397   0.50400   0.50511   0.50617
     Eigenvalues ---    0.50618   0.50622   0.52070   0.52306   0.52311
     Eigenvalues ---    0.52497   0.52662   0.53756   0.54115   0.54121
     Eigenvalues ---    0.54193   0.54195   0.54197   0.54365   0.54395
     Eigenvalues ---    0.54778   0.55051   0.55186   0.55235   0.55317
     Eigenvalues ---    0.55335   0.55351   0.55369   0.55386   0.55425
     Eigenvalues ---    0.55449   0.55631   0.55713   0.55713   0.55721
     Eigenvalues ---    0.55932   0.55949   0.55952   0.56146   0.56148
     Eigenvalues ---    0.56149   0.56153   0.56276   0.56281   0.56288
     Eigenvalues ---    0.56510   0.56660   0.56663   0.56667   0.56669
     Eigenvalues ---    0.56672   0.56675   0.56769   0.56780   0.56885
     Eigenvalues ---    0.56912   0.56915   0.57142   0.57169   0.57171
     Eigenvalues ---    0.57172   0.57182   0.57183   0.58928   0.59917
     Eigenvalues ---    0.63915   0.66125   0.66129   0.67212   0.67677
     Eigenvalues ---    0.67682   0.67688   0.70105   0.70131   0.70600
     Eigenvalues ---    0.73691   0.76266
 RFO step:  Lambda=-9.77789451D-03 EMin= 6.27390886D-03
 Quartic linear search produced a step of  0.48718.
 Iteration  1 RMS(Cart)=  0.11311496 RMS(Int)=  0.01627254
 Iteration  2 RMS(Cart)=  0.01240436 RMS(Int)=  0.00589316
 Iteration  3 RMS(Cart)=  0.00501367 RMS(Int)=  0.00118371
 Iteration  4 RMS(Cart)=  0.00008902 RMS(Int)=  0.00118193
 Iteration  5 RMS(Cart)=  0.00000103 RMS(Int)=  0.00118193
 Iteration  6 RMS(Cart)=  0.00000001 RMS(Int)=  0.00118193
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        2.64303  -0.00029  -0.00342  -0.00080  -0.00421   2.63882
    R2        2.66949   0.00040  -0.00313   0.00096  -0.00216   2.66733
    R3        2.83148  -0.00585   0.01446  -0.01151   0.00295   2.83443
    R4        2.65692  -0.00007   0.00054  -0.00018   0.00035   2.65727
    R5        2.03712   0.00169  -0.00189   0.00486   0.00297   2.04009
    R6        2.66941   0.00096  -0.00774   0.00144  -0.00639   2.66302
    R7        2.80172  -0.00432   0.00834  -0.00875  -0.00052   2.80120
    R8        2.65735   0.00021   0.00048   0.00051   0.00099   2.65834
    R9        2.76545  -0.00294   0.00565  -0.00571  -0.00003   2.76542
   R10        2.60379   0.00140  -0.00409   0.00288  -0.00119   2.60260
   R11        2.04874  -0.00038   0.00148  -0.00142   0.00006   2.04881
   R12        2.04586   0.00050   0.00016   0.00106   0.00121   2.04707
   R13        2.68753   0.00149  -0.00502   0.00345  -0.00163   2.68590
   R14        2.64897  -0.00057  -0.00042  -0.00137  -0.00185   2.64712
   R15        2.71897   0.00040   0.00147   0.00170   0.00326   2.72222
   R16        2.66660   0.00129  -0.00068   0.00299   0.00235   2.66895
   R17        2.70744   0.00207  -0.00069   0.00549   0.00475   2.71220
   R18        2.54851   0.00051  -0.00151   0.00085   0.00019   2.54870
   R19        2.50810  -0.00085  -0.00415  -0.00111  -0.00623   2.50188
   R20        2.64564   0.00074  -0.00338   0.00114  -0.00227   2.64337
   R21        2.03695   0.00163  -0.00160   0.00467   0.00307   2.04001
   R22        2.66830  -0.00063  -0.00369  -0.00128  -0.00495   2.66335
   R23        2.82578  -0.00557   0.01416  -0.01092   0.00324   2.82902
   R24        2.60138   0.00260  -0.00282   0.00534   0.00258   2.60395
   R25        2.04409   0.00052   0.00003   0.00112   0.00116   2.04524
   R26        2.04704   0.00073  -0.00047   0.00259   0.00213   2.04917
   R27        2.58068  -0.00139   0.00018  -0.00285  -0.00169   2.57899
   R28        1.91602   0.00330   0.00183   0.01065   0.02237   1.93839
   R29        5.49263   0.00357   0.03900   0.05241   0.07574   5.56837
   R30        2.68429  -0.00007  -0.00464  -0.00072  -0.00507   2.67922
   R31        2.65298   0.00146  -0.00106   0.00294   0.00204   2.65502
   R32        2.56814  -0.00318   0.00302  -0.00456  -0.00239   2.56575
   R33        2.67388  -0.00080   0.00044  -0.00163  -0.00118   2.67271
   R34        2.59526   0.00115  -0.00314   0.00238  -0.00077   2.59448
   R35        2.04976  -0.00018   0.00038  -0.00077  -0.00039   2.04937
   R36        2.70872  -0.00108   0.00061  -0.00170  -0.00126   2.70746
   R37        2.04387   0.00035  -0.00020   0.00056   0.00037   2.04424
   R38        2.62025   0.00101  -0.00429   0.00192  -0.00254   2.61772
   R39        2.82945  -0.00498   0.01441  -0.00949   0.00492   2.83437
   R40        2.04396   0.00049  -0.00005   0.00125   0.00121   2.04517
   R41        2.65906   0.00000  -0.00196  -0.00054  -0.00255   2.65650
   R42        2.65895   0.00024  -0.00190  -0.00030  -0.00226   2.65670
   R43        2.66036  -0.00005  -0.00195  -0.00063  -0.00264   2.65772
   R44        2.65999   0.00018  -0.00195  -0.00041  -0.00241   2.65759
   R45        2.65830   0.00034  -0.00220   0.00019  -0.00206   2.65623
   R46        2.66056   0.00030  -0.00139  -0.00008  -0.00152   2.65905
   R47        2.62404   0.00104  -0.00124   0.00233   0.00109   2.62513
   R48        2.04717   0.00023   0.00050   0.00019   0.00069   2.04786
   R49        2.64609   0.00083  -0.00666   0.00228  -0.00433   2.64175
   R50        2.05041  -0.00054   0.00408  -0.00388   0.00021   2.05061
   R51        2.64695   0.00075  -0.00672   0.00217  -0.00450   2.64245
   R52        2.67780  -0.00276   0.00741  -0.00235   0.00505   2.68285
   R53        2.62295   0.00111  -0.00141   0.00247   0.00107   2.62402
   R54        2.05056  -0.00055   0.00415  -0.00399   0.00016   2.05072
   R55        2.04766   0.00044   0.00023   0.00120   0.00143   2.04909
   R56        2.62520   0.00096  -0.00129   0.00216   0.00088   2.62608
   R57        2.04754   0.00027   0.00059   0.00031   0.00090   2.04845
   R58        2.64489   0.00086  -0.00670   0.00233  -0.00431   2.64058
   R59        2.05052  -0.00051   0.00405  -0.00378   0.00028   2.05080
   R60        2.64590   0.00088  -0.00673   0.00246  -0.00422   2.64168
   R61        2.68050  -0.00310   0.00753  -0.00288   0.00465   2.68514
   R62        2.62408   0.00101  -0.00147   0.00228   0.00081   2.62489
   R63        2.05071  -0.00058   0.00416  -0.00411   0.00006   2.05077
   R64        2.04764   0.00042   0.00012   0.00114   0.00126   2.04890
   R65        2.62579   0.00088  -0.00108   0.00201   0.00094   2.62672
   R66        2.04691   0.00009   0.00035  -0.00028   0.00007   2.04698
   R67        2.64430   0.00069  -0.00690   0.00197  -0.00488   2.63942
   R68        2.05032  -0.00052   0.00406  -0.00386   0.00020   2.05052
   R69        2.64753   0.00069  -0.00659   0.00200  -0.00454   2.64299
   R70        2.67857  -0.00307   0.00731  -0.00285   0.00446   2.68303
   R71        2.62205   0.00097  -0.00155   0.00219   0.00064   2.62270
   R72        2.05044  -0.00054   0.00410  -0.00391   0.00019   2.05063
   R73        2.04709   0.00026   0.00007   0.00055   0.00061   2.04770
   R74        2.67099  -0.00661   0.00056  -0.01000  -0.00942   2.66157
   R75        2.67166  -0.00679   0.00078  -0.01045  -0.00965   2.66201
   R76        2.67270  -0.00684   0.00086  -0.01050  -0.00962   2.66307
   R77        2.67276  -0.00683   0.00078  -0.01043  -0.00963   2.66313
   R78        2.67262  -0.00675   0.00084  -0.01030  -0.00944   2.66318
   R79        2.67214  -0.00671   0.00085  -0.01024  -0.00937   2.66278
   R80        2.67550   0.00012  -0.00323   0.00100  -0.00224   2.67327
   R81        2.63876   0.00085  -0.00506   0.00236  -0.00269   2.63607
   R82        2.74140  -0.00231   0.00154  -0.00417  -0.00265   2.73875
   R83        2.64394   0.00039  -0.00004   0.00100   0.00094   2.64488
   R84        2.67529   0.00017  -0.00334   0.00120  -0.00215   2.67314
   R85        2.64400   0.00038  -0.00003   0.00099   0.00095   2.64494
   R86        2.63875   0.00089  -0.00509   0.00251  -0.00258   2.63617
   R87        2.67594   0.00010  -0.00327   0.00107  -0.00221   2.67372
   R88        2.63896   0.00087  -0.00514   0.00248  -0.00264   2.63631
   R89        2.74099  -0.00221   0.00151  -0.00401  -0.00252   2.73848
   R90        2.64406   0.00040  -0.00006   0.00101   0.00094   2.64500
   R91        2.67586   0.00006  -0.00319   0.00083  -0.00236   2.67349
   R92        2.64419   0.00036  -0.00003   0.00094   0.00089   2.64508
   R93        2.63901   0.00079  -0.00507   0.00224  -0.00282   2.63619
   R94        2.67539   0.00010  -0.00331   0.00101  -0.00232   2.67308
   R95        2.63885   0.00082  -0.00509   0.00233  -0.00275   2.63610
   R96        2.74126  -0.00222   0.00154  -0.00403  -0.00252   2.73875
   R97        2.64409   0.00037  -0.00002   0.00095   0.00091   2.64500
   R98        2.67569   0.00008  -0.00324   0.00094  -0.00231   2.67338
   R99        2.64395   0.00039  -0.00006   0.00099   0.00091   2.64486
   R100       2.63882   0.00083  -0.00510   0.00234  -0.00275   2.63607
   R101       2.62861   0.00054  -0.00134   0.00056  -0.00079   2.62782
   R102       2.05394  -0.00044   0.00140  -0.00153  -0.00013   2.05381
   R103       2.65194   0.00092  -0.00115   0.00115   0.00001   2.65194
   R104       2.05186  -0.00019   0.00103  -0.00077   0.00025   2.05211
   R105       2.63414  -0.00011  -0.00149  -0.00009  -0.00157   2.63257
   R106       2.05415  -0.00065   0.00171  -0.00221  -0.00050   2.05365
   R107       2.04845  -0.00010   0.00305  -0.00231   0.00074   2.04919
   R108       2.63415  -0.00013  -0.00147  -0.00014  -0.00160   2.63255
   R109       2.04835  -0.00007   0.00300  -0.00216   0.00084   2.04918
   R110       2.65191   0.00093  -0.00115   0.00120   0.00005   2.65196
   R111       2.05420  -0.00066   0.00173  -0.00228  -0.00055   2.05365
   R112       2.62857   0.00055  -0.00136   0.00061  -0.00076   2.62781
   R113       2.05188  -0.00020   0.00104  -0.00080   0.00024   2.05212
   R114       2.05392  -0.00043   0.00139  -0.00149  -0.00010   2.05382
   R115       2.62840   0.00059  -0.00136   0.00069  -0.00068   2.62772
   R116       2.05397  -0.00045   0.00138  -0.00153  -0.00015   2.05382
   R117       2.65217   0.00091  -0.00116   0.00118   0.00002   2.65218
   R118       2.05188  -0.00019   0.00102  -0.00080   0.00023   2.05211
   R119       2.63395  -0.00010  -0.00149  -0.00007  -0.00154   2.63241
   R120       2.05421  -0.00066   0.00173  -0.00226  -0.00053   2.05368
   R121       2.04839  -0.00005   0.00300  -0.00206   0.00094   2.04932
   R122       2.63399  -0.00008  -0.00153  -0.00004  -0.00156   2.63243
   R123       2.04856  -0.00011   0.00309  -0.00237   0.00072   2.04928
   R124       2.65214   0.00089  -0.00112   0.00109  -0.00003   2.65211
   R125       2.05425  -0.00066   0.00170  -0.00225  -0.00054   2.05371
   R126       2.62857   0.00054  -0.00132   0.00055  -0.00078   2.62779
   R127       2.05186  -0.00019   0.00101  -0.00077   0.00023   2.05209
   R128       2.05397  -0.00045   0.00139  -0.00153  -0.00014   2.05383
   R129       2.62857   0.00056  -0.00135   0.00062  -0.00074   2.62784
   R130       2.05393  -0.00044   0.00138  -0.00152  -0.00014   2.05380
   R131       2.65192   0.00092  -0.00117   0.00117   0.00000   2.65192
   R132       2.05187  -0.00019   0.00102  -0.00080   0.00022   2.05209
   R133       2.63412  -0.00010  -0.00147  -0.00008  -0.00154   2.63258
   R134       2.05421  -0.00066   0.00172  -0.00227  -0.00055   2.05366
   R135       2.04842  -0.00008   0.00305  -0.00223   0.00082   2.04925
   R136       2.63404  -0.00009  -0.00148  -0.00005  -0.00152   2.63252
   R137       2.04843  -0.00008   0.00303  -0.00221   0.00082   2.04925
   R138       2.65204   0.00090  -0.00116   0.00114  -0.00001   2.65202
   R139       2.05414  -0.00066   0.00171  -0.00225  -0.00054   2.05360
   R140       2.62848   0.00057  -0.00135   0.00063  -0.00073   2.62774
   R141       2.05186  -0.00019   0.00102  -0.00079   0.00023   2.05208
   R142       2.05394  -0.00045   0.00138  -0.00153  -0.00015   2.05379
   R143       4.67833  -0.00791  -0.26451  -0.25504  -0.50326   4.17507
    A1        2.05126  -0.00024   0.00484  -0.00074   0.00411   2.05537
    A2        2.11746  -0.00016  -0.00121  -0.00205  -0.00326   2.11420
    A3        2.11447   0.00041  -0.00364   0.00279  -0.00085   2.11362
    A4        2.14204   0.00089  -0.00468   0.00262  -0.00210   2.13994
    A5        2.07286  -0.00097   0.00388  -0.00490  -0.00102   2.07185
    A6        2.06799   0.00008   0.00076   0.00212   0.00288   2.07087
    A7        2.06297  -0.00044   0.00092  -0.00170  -0.00074   2.06224
    A8        2.13010   0.00030  -0.00178   0.00219   0.00053   2.13063
    A9        2.08988   0.00014   0.00076  -0.00034   0.00018   2.09006
   A10        2.08562  -0.00001   0.00244   0.00045   0.00287   2.08849
   A11        2.10533  -0.00003  -0.00083  -0.00094  -0.00187   2.10346
   A12        2.09215   0.00003  -0.00165   0.00042  -0.00118   2.09097
   A13        2.11249  -0.00003  -0.00181   0.00004  -0.00178   2.11072
   A14        2.04584   0.00209  -0.00910   0.01218   0.00308   2.04892
   A15        2.12485  -0.00206   0.01091  -0.01222  -0.00130   2.12355
   A16        2.11192  -0.00018  -0.00172  -0.00071  -0.00242   2.10949
   A17        2.09196   0.00129  -0.00691   0.00735   0.00043   2.09238
   A18        2.07909  -0.00111   0.00857  -0.00668   0.00187   2.08096
   A19        2.09369   0.00065   0.00016   0.00260   0.00261   2.09629
   A20        2.12668  -0.00065  -0.00169  -0.00270  -0.00425   2.12243
   A21        2.06250   0.00000   0.00142   0.00012   0.00152   2.06402
   A22        2.07743   0.00014  -0.00190   0.00070  -0.00121   2.07622
   A23        2.07893  -0.00039   0.00297  -0.00065   0.00225   2.08118
   A24        2.12542   0.00027  -0.00156   0.00059  -0.00103   2.12439
   A25        2.13258  -0.00216   0.00159  -0.00736  -0.00666   2.12592
   A26        2.11682   0.00266  -0.00019   0.01177   0.01050   2.12733
   A27        2.03374  -0.00050  -0.00140  -0.00424  -0.00383   2.02991
   A28        2.06345   0.00124  -0.00151   0.00527   0.00379   2.06724
   A29        2.08075  -0.00129   0.00132  -0.00642  -0.00522   2.07553
   A30        2.13867   0.00005   0.00020   0.00101   0.00128   2.13994
   A31        2.14548   0.00084  -0.00572   0.00210  -0.00377   2.14171
   A32        2.06408   0.00023   0.00139   0.00320   0.00460   2.06868
   A33        2.07233  -0.00107   0.00396  -0.00529  -0.00131   2.07102
   A34        2.05026  -0.00024   0.00464  -0.00112   0.00348   2.05374
   A35        2.11777  -0.00062  -0.00163  -0.00386  -0.00549   2.11228
   A36        2.11503   0.00086  -0.00306   0.00504   0.00199   2.11701
   A37        2.11502   0.00020   0.00055   0.00141   0.00202   2.11704
   A38        2.09611   0.00125  -0.00631   0.00762   0.00127   2.09738
   A39        2.07205  -0.00145   0.00576  -0.00903  -0.00330   2.06875
   A40        2.11273  -0.00041  -0.00451  -0.00154  -0.00631   2.10642
   A41        2.10141   0.00086  -0.00419   0.00324  -0.00130   2.10011
   A42        2.06698  -0.00048   0.00785  -0.00271   0.00474   2.07173
   A43        2.15415  -0.00153   0.00137  -0.00104  -0.00420   2.14996
   A44        2.07392   0.00196  -0.00198   0.00523  -0.00046   2.07347
   A45        1.82426   0.00691   0.04995   0.07118   0.11868   1.94293
   A46        2.05055  -0.00047  -0.00127  -0.01014  -0.01647   2.03408
   A47        1.78574  -0.00171   0.03447   0.01654   0.04652   1.83226
   A48        2.04126   0.00203  -0.00069   0.00531   0.00662   2.04789
   A49        2.13498  -0.00086  -0.00266  -0.00184  -0.00595   2.12903
   A50        2.10694  -0.00117   0.00335  -0.00345  -0.00067   2.10627
   A51        2.12095  -0.00063  -0.00053  -0.00419  -0.00450   2.11645
   A52        2.06911   0.00094  -0.00023   0.00371   0.00370   2.07280
   A53        2.09285  -0.00031   0.00072   0.00056   0.00084   2.09369
   A54        2.07644   0.00059   0.00059   0.00250   0.00212   2.07856
   A55        2.07583   0.00013  -0.00251  -0.00004  -0.00225   2.07358
   A56        2.08629   0.00016  -0.00480   0.00098  -0.00408   2.08221
   A57        2.11973  -0.00030   0.00683  -0.00094   0.00560   2.12534
   A58        2.13862   0.00030  -0.00088   0.00170   0.00086   2.13949
   A59        2.06550  -0.00175   0.00778  -0.01052  -0.00277   2.06273
   A60        2.07901   0.00145  -0.00692   0.00889   0.00194   2.08095
   A61        2.05155  -0.00039   0.00316  -0.00154   0.00150   2.05305
   A62        2.10520   0.00091  -0.00340   0.00470   0.00135   2.10656
   A63        2.12642  -0.00052   0.00023  -0.00315  -0.00286   2.12356
   A64        2.12429   0.00018  -0.00289  -0.00040  -0.00321   2.12108
   A65        2.02103  -0.00020   0.00140  -0.00015   0.00120   2.02223
   A66        2.13777   0.00002   0.00147   0.00054   0.00197   2.13973
   A67        2.11961  -0.00012  -0.00397   0.00089  -0.00306   2.11655
   A68        2.12445  -0.00017  -0.00582  -0.00152  -0.00732   2.11712
   A69        2.03913   0.00029   0.00979   0.00063   0.01039   2.04951
   A70        2.12002   0.00002  -0.00369   0.00140  -0.00226   2.11776
   A71        2.12327  -0.00032  -0.00599  -0.00213  -0.00810   2.11517
   A72        2.03989   0.00030   0.00967   0.00072   0.01036   2.05025
   A73        2.12725   0.00003  -0.00337   0.00145  -0.00190   2.12535
   A74        2.11578   0.00018  -0.00569   0.00018  -0.00549   2.11028
   A75        2.04016  -0.00021   0.00906  -0.00163   0.00739   2.04755
   A76        2.12769  -0.00054  -0.00478  -0.00271  -0.00748   2.12021
   A77        2.09415   0.00082  -0.00376   0.00378   0.00001   2.09417
   A78        2.06060  -0.00029   0.00849  -0.00126   0.00719   2.06780
   A79        2.09420   0.00136  -0.00869   0.00768  -0.00117   2.09303
   A80        2.10784  -0.00177   0.01859  -0.01119   0.00706   2.11490
   A81        2.08060   0.00041  -0.00859   0.00355  -0.00539   2.07521
   A82        2.08217  -0.00189   0.01712  -0.01055   0.00674   2.08891
   A83        2.10194   0.00086  -0.00825   0.00472  -0.00361   2.09833
   A84        2.09907   0.00103  -0.00887   0.00582  -0.00313   2.09594
   A85        2.09368   0.00118  -0.00905   0.00684  -0.00235   2.09133
   A86        2.07974   0.00047  -0.00858   0.00377  -0.00514   2.07460
   A87        2.10927  -0.00164   0.01890  -0.01063   0.00795   2.11722
   A88        2.12860  -0.00041  -0.00433  -0.00197  -0.00629   2.12231
   A89        2.09268   0.00075  -0.00496   0.00288  -0.00209   2.09059
   A90        2.06125  -0.00035   0.00925  -0.00116   0.00805   2.06930
   A91        2.12846  -0.00046  -0.00474  -0.00233  -0.00705   2.12141
   A92        2.09310   0.00081  -0.00384   0.00376  -0.00010   2.09300
   A93        2.06110  -0.00036   0.00859  -0.00166   0.00690   2.06800
   A94        2.09395   0.00131  -0.00888   0.00743  -0.00160   2.09234
   A95        2.10827  -0.00169   0.01878  -0.01075   0.00768   2.11595
   A96        2.08054   0.00039  -0.00862   0.00331  -0.00567   2.07488
   A97        2.08198  -0.00191   0.01729  -0.01067   0.00680   2.08878
   A98        2.10164   0.00078  -0.00825   0.00423  -0.00411   2.09753
   A99        2.09956   0.00113  -0.00904   0.00643  -0.00269   2.09687
   A100       2.09379   0.00123  -0.00903   0.00718  -0.00200   2.09179
   A101       2.07989   0.00044  -0.00858   0.00366  -0.00526   2.07464
   A102       2.10894  -0.00167   0.01890  -0.01081   0.00777   2.11671
   A103       2.12892  -0.00046  -0.00450  -0.00222  -0.00671   2.12222
   A104       2.09237   0.00081  -0.00482   0.00325  -0.00158   2.09080
   A105       2.06112  -0.00036   0.00926  -0.00124   0.00800   2.06912
   A106       2.12746  -0.00022  -0.00447  -0.00102  -0.00547   2.12199
   A107       2.09998   0.00085  -0.00264   0.00440   0.00176   2.10174
   A108       2.05539  -0.00063   0.00712  -0.00349   0.00361   2.05900
   A109       2.09449   0.00134  -0.00848   0.00748  -0.00116   2.09333
   A110       2.10740  -0.00174   0.01835  -0.01102   0.00699   2.11438
   A111       2.08083   0.00041  -0.00861   0.00360  -0.00537   2.07546
   A112       2.08177  -0.00199   0.01682  -0.01125   0.00575   2.08752
   A113       2.10199   0.00092  -0.00823   0.00527  -0.00305   2.09894
   A114       2.09942   0.00108  -0.00858   0.00598  -0.00270   2.09673
   A115       2.09405   0.00131  -0.00899   0.00739  -0.00175   2.09231
   A116       2.08018   0.00041  -0.00869   0.00358  -0.00546   2.07472
   A117       2.10858  -0.00172   0.01890  -0.01097   0.00758   2.11616
   A118       2.12831  -0.00023  -0.00400  -0.00096  -0.00494   2.12337
   A119       2.09323   0.00089  -0.00395   0.00420   0.00025   2.09348
   A120       2.06146  -0.00067   0.00799  -0.00336   0.00461   2.06607
   A121       2.19952  -0.00077  -0.00021   0.00009  -0.00015   2.19938
   A122       2.20092  -0.00111   0.00071  -0.00226  -0.00159   2.19933
   A123       1.88274   0.00188  -0.00049   0.00217   0.00173   1.88448
   A124       2.20083  -0.00104   0.00053  -0.00172  -0.00122   2.19961
   A125       2.19988  -0.00085   0.00008  -0.00039  -0.00034   2.19954
   A126       1.88247   0.00188  -0.00061   0.00212   0.00156   1.88403
   A127       2.19997  -0.00095   0.00017  -0.00109  -0.00095   2.19902
   A128       2.20056  -0.00095   0.00039  -0.00117  -0.00080   2.19976
   A129       1.88266   0.00190  -0.00055   0.00225   0.00175   1.88441
   A130       1.90066   0.00023   0.00009   0.00101   0.00105   1.90171
   A131       2.25082   0.00137  -0.01424   0.00800  -0.00636   2.24446
   A132       2.12913  -0.00155   0.01484  -0.00809   0.00663   2.13576
   A133       1.87046  -0.00115   0.00018  -0.00202  -0.00182   1.86864
   A134       2.08150   0.00120  -0.01037   0.00503  -0.00540   2.07610
   A135       2.33104  -0.00005   0.01015  -0.00303   0.00714   2.33819
   A136       1.87033  -0.00114   0.00012  -0.00190  -0.00177   1.86856
   A137       2.33124  -0.00007   0.01026  -0.00323   0.00706   2.33829
   A138       2.08141   0.00121  -0.01043   0.00511  -0.00536   2.07604
   A139       1.90083   0.00019   0.00021   0.00082   0.00098   1.90180
   A140       2.25042   0.00146  -0.01450   0.00856  -0.00607   2.24435
   A141       2.12936  -0.00161   0.01499  -0.00845   0.00642   2.13578
   A142       1.90106   0.00014   0.00018   0.00066   0.00078   1.90184
   A143       2.25057   0.00147  -0.01453   0.00864  -0.00602   2.24454
   A144       2.12906  -0.00157   0.01507  -0.00837   0.00657   2.13563
   A145       1.87000  -0.00112   0.00010  -0.00182  -0.00170   1.86830
   A146       2.08138   0.00119  -0.01047   0.00508  -0.00544   2.07594
   A147       2.33162  -0.00008   0.01033  -0.00328   0.00707   2.33869
   A148       1.87012  -0.00112   0.00017  -0.00194  -0.00176   1.86836
   A149       2.33136  -0.00004   0.01018  -0.00292   0.00728   2.33864
   A150       2.08150   0.00116  -0.01039   0.00485  -0.00559   2.07591
   A151       1.90083   0.00021   0.00004   0.00096   0.00094   1.90178
   A152       2.25079   0.00132  -0.01421   0.00782  -0.00651   2.24428
   A153       2.12905  -0.00150   0.01486  -0.00785   0.00688   2.13593
   A154       1.90070   0.00017   0.00012   0.00075   0.00081   1.90151
   A155       2.25053   0.00141  -0.01439   0.00829  -0.00623   2.24430
   A156       2.12938  -0.00153   0.01496  -0.00809   0.00674   2.13612
   A157       1.87035  -0.00112   0.00017  -0.00186  -0.00168   1.86867
   A158       2.08144   0.00117  -0.01041   0.00494  -0.00552   2.07592
   A159       2.33119  -0.00006   0.01020  -0.00310   0.00712   2.33830
   A160       1.87036  -0.00112   0.00018  -0.00187  -0.00168   1.86867
   A161       2.33117  -0.00006   0.01017  -0.00309   0.00710   2.33828
   A162       2.08147   0.00118  -0.01038   0.00494  -0.00549   2.07598
   A163       1.90069   0.00017   0.00008   0.00077   0.00079   1.90148
   A164       2.25094   0.00139  -0.01428   0.00818  -0.00622   2.24472
   A165       2.12900  -0.00151   0.01488  -0.00800   0.00676   2.13576
   A166       2.08040  -0.00028   0.00045   0.00002   0.00041   2.08081
   A167       2.09536   0.00073  -0.00091   0.00383   0.00295   2.09830
   A168       2.10738  -0.00046   0.00048  -0.00384  -0.00333   2.10405
   A169       2.10495  -0.00020   0.00487  -0.00142   0.00336   2.10831
   A170       2.09301  -0.00008  -0.00150  -0.00050  -0.00202   2.09098
   A171       2.08522   0.00029  -0.00323   0.00192  -0.00134   2.08388
   A172       2.12085  -0.00033  -0.00219  -0.00126  -0.00349   2.11736
   A173       2.08728  -0.00023  -0.00023  -0.00203  -0.00227   2.08501
   A174       2.07505   0.00056   0.00246   0.00332   0.00577   2.08082
   A175       2.04843   0.00123  -0.00688   0.00639  -0.00059   2.04784
   A176       2.11342   0.00039  -0.00988   0.00392  -0.00604   2.10738
   A177       2.12126  -0.00162   0.01709  -0.01030   0.00671   2.12797
   A178       2.04856   0.00120  -0.00680   0.00615  -0.00076   2.04780
   A179       2.11352   0.00040  -0.00984   0.00397  -0.00596   2.10755
   A180       2.12108  -0.00160   0.01695  -0.01012   0.00674   2.12782
   A181       2.12091  -0.00033  -0.00217  -0.00125  -0.00347   2.11745
   A182       2.07501   0.00054   0.00244   0.00320   0.00563   2.08064
   A183       2.08725  -0.00022  -0.00025  -0.00190  -0.00216   2.08508
   A184       2.10484  -0.00019   0.00482  -0.00129   0.00343   2.10827
   A185       2.08533   0.00028  -0.00320   0.00183  -0.00139   2.08394
   A186       2.09301  -0.00009  -0.00149  -0.00054  -0.00205   2.09096
   A187       2.08049  -0.00031   0.00050  -0.00015   0.00029   2.08078
   A188       2.09532   0.00075  -0.00093   0.00390   0.00299   2.09831
   A189       2.10733  -0.00044   0.00045  -0.00374  -0.00326   2.10407
   A190       2.08046  -0.00029   0.00048  -0.00008   0.00034   2.08079
   A191       2.09536   0.00073  -0.00090   0.00383   0.00296   2.09832
   A192       2.10732  -0.00044   0.00044  -0.00373  -0.00327   2.10405
   A193       2.10484  -0.00019   0.00486  -0.00126   0.00351   2.10835
   A194       2.09308  -0.00009  -0.00149  -0.00058  -0.00208   2.09099
   A195       2.08526   0.00028  -0.00324   0.00182  -0.00144   2.08383
   A196       2.12107  -0.00036  -0.00218  -0.00138  -0.00361   2.11746
   A197       2.08713  -0.00021  -0.00027  -0.00189  -0.00217   2.08496
   A198       2.07498   0.00057   0.00248   0.00331   0.00578   2.08076
   A199       2.04851   0.00119  -0.00681   0.00612  -0.00079   2.04771
   A200       2.11328   0.00038  -0.00983   0.00382  -0.00609   2.10719
   A201       2.12135  -0.00158   0.01696  -0.00994   0.00693   2.12828
   A202       2.04865   0.00122  -0.00692   0.00636  -0.00066   2.04799
   A203       2.11258   0.00044  -0.00997   0.00422  -0.00584   2.10674
   A204       2.12190  -0.00165   0.01721  -0.01058   0.00655   2.12845
   A205       2.12092  -0.00034  -0.00219  -0.00131  -0.00355   2.11737
   A206       2.07522   0.00056   0.00249   0.00332   0.00580   2.08102
   A207       2.08704  -0.00022  -0.00027  -0.00197  -0.00225   2.08479
   A208       2.10484  -0.00019   0.00492  -0.00137   0.00346   2.10830
   A209       2.08529   0.00028  -0.00327   0.00187  -0.00142   2.08387
   A210       2.09305  -0.00009  -0.00152  -0.00051  -0.00205   2.09100
   A211       2.08058  -0.00028   0.00042  -0.00000   0.00036   2.08094
   A212       2.09522   0.00074  -0.00090   0.00391   0.00303   2.09825
   A213       2.10734  -0.00046   0.00050  -0.00389  -0.00337   2.10397
   A214       2.08058  -0.00030   0.00047  -0.00010   0.00031   2.08088
   A215       2.09523   0.00075  -0.00093   0.00390   0.00300   2.09824
   A216       2.10733  -0.00044   0.00047  -0.00379  -0.00329   2.10404
   A217       2.10481  -0.00019   0.00485  -0.00127   0.00348   2.10830
   A218       2.09304  -0.00009  -0.00150  -0.00056  -0.00208   2.09096
   A219       2.08534   0.00028  -0.00323   0.00183  -0.00142   2.08391
   A220       2.12089  -0.00034  -0.00218  -0.00131  -0.00354   2.11735
   A221       2.08720  -0.00021  -0.00026  -0.00190  -0.00217   2.08504
   A222       2.07508   0.00056   0.00246   0.00326   0.00571   2.08079
   A223       2.04869   0.00119  -0.00682   0.00614  -0.00079   2.04790
   A224       2.11332   0.00041  -0.00981   0.00401  -0.00589   2.10743
   A225       2.12113  -0.00160   0.01695  -0.01015   0.00671   2.12784
   A226       2.04828   0.00121  -0.00687   0.00625  -0.00072   2.04756
   A227       2.11402   0.00038  -0.00969   0.00381  -0.00596   2.10806
   A228       2.12081  -0.00158   0.01689  -0.01005   0.00675   2.12757
   A229       2.12102  -0.00035  -0.00218  -0.00137  -0.00359   2.11743
   A230       2.07485   0.00057   0.00245   0.00333   0.00578   2.08062
   A231       2.08731  -0.00021  -0.00024  -0.00194  -0.00219   2.08513
   A232       2.10493  -0.00019   0.00486  -0.00129   0.00348   2.10841
   A233       2.08523   0.00028  -0.00324   0.00184  -0.00141   2.08382
   A234       2.09302  -0.00009  -0.00149  -0.00056  -0.00207   2.09095
   A235       2.08035  -0.00029   0.00046  -0.00003   0.00036   2.08071
   A236       2.09537   0.00074  -0.00091   0.00384   0.00296   2.09833
   A237       2.10741  -0.00045   0.00047  -0.00379  -0.00329   2.10412
    D1       -0.00029  -0.00005   0.00120  -0.00162  -0.00043  -0.00071
    D2        3.11484  -0.00027  -0.00069  -0.00882  -0.00954   3.10530
    D3        3.13946  -0.00001   0.00017  -0.00015   0.00003   3.13949
    D4       -0.02859  -0.00023  -0.00173  -0.00735  -0.00908  -0.03768
    D5       -0.00618  -0.00004  -0.00135  -0.00132  -0.00266  -0.00884
    D6        3.11295  -0.00014  -0.00503  -0.00363  -0.00861   3.10433
    D7        3.13725  -0.00008  -0.00032  -0.00279  -0.00311   3.13414
    D8       -0.02681  -0.00018  -0.00399  -0.00510  -0.00906  -0.03587
    D9        2.91229  -0.00191  -0.04832  -0.06133  -0.10966   2.80264
   D10       -0.22941  -0.00190  -0.04814  -0.06089  -0.10905  -0.33846
   D11       -0.23121  -0.00187  -0.04939  -0.05981  -0.10918  -0.34039
   D12        2.91027  -0.00186  -0.04921  -0.05937  -0.10857   2.80170
   D13        0.00922   0.00012   0.00015   0.00378   0.00391   0.01313
   D14       -3.10948  -0.00005   0.00944  -0.00369   0.00568  -3.10381
   D15       -3.10598   0.00036   0.00200   0.01106   0.01307  -3.09291
   D16        0.05850   0.00019   0.01129   0.00359   0.01484   0.07334
   D17       -0.01179  -0.00010  -0.00140  -0.00302  -0.00437  -0.01616
   D18        3.11589  -0.00032  -0.00564  -0.00937  -0.01501   3.10088
   D19        3.10745   0.00007  -0.01047   0.00430  -0.00609   3.10137
   D20       -0.04805  -0.00015  -0.01471  -0.00204  -0.01673  -0.06478
   D21       -3.12515   0.00014   0.00017   0.00522   0.00542  -3.11974
   D22        0.04425   0.00018   0.00585   0.00432   0.01017   0.05443
   D23        0.03968  -0.00003   0.00959  -0.00234   0.00722   0.04690
   D24       -3.07410   0.00001   0.01528  -0.00324   0.01198  -3.06213
   D25        0.00575   0.00002   0.00124   0.00025   0.00144   0.00718
   D26       -3.13282   0.00003   0.00034   0.00081   0.00113  -3.13169
   D27       -3.12204   0.00024   0.00545   0.00655   0.01201  -3.11003
   D28        0.02258   0.00024   0.00455   0.00711   0.01170   0.03429
   D29       -0.01091   0.00005  -0.00254   0.00381   0.00130  -0.00961
   D30       -3.12611   0.00021  -0.00306   0.00968   0.00693  -3.11917
   D31        3.11672  -0.00017  -0.00678  -0.00256  -0.00933   3.10739
   D32        0.00152  -0.00000  -0.00730   0.00331  -0.00370  -0.00217
   D33        0.00348   0.00005   0.00016   0.00200   0.00218   0.00566
   D34       -3.11581   0.00012   0.00394   0.00412   0.00811  -3.10770
   D35       -3.14127   0.00006   0.00105   0.00146   0.00250  -3.13877
   D36        0.02262   0.00012   0.00482   0.00358   0.00843   0.03106
   D37        0.02813   0.00029   0.01288   0.00484   0.01778   0.04591
   D38       -3.05758  -0.00010   0.02559  -0.00802   0.01770  -3.03988
   D39       -3.14027   0.00024   0.00737   0.00566   0.01309  -3.12718
   D40        0.05721  -0.00015   0.02009  -0.00720   0.01301   0.07022
   D41        3.08749   0.00004  -0.01642   0.00460  -0.01179   3.07570
   D42        0.00129   0.00009  -0.00688   0.00455  -0.00231  -0.00101
   D43       -0.02677   0.00007  -0.01083   0.00368  -0.00713  -0.03391
   D44       -3.11296   0.00012  -0.00128   0.00363   0.00234  -3.11062
   D45       -0.09028  -0.00021  -0.03120  -0.00245  -0.03353  -0.12380
   D46        3.06213  -0.00055  -0.03186  -0.02128  -0.05302   3.00911
   D47        2.99388   0.00017  -0.04419   0.01073  -0.03333   2.96054
   D48       -0.13691  -0.00018  -0.04485  -0.00810  -0.05282  -0.18973
   D49       -0.04849   0.00024  -0.01537   0.00941  -0.00598  -0.05446
   D50        3.02305  -0.00035  -0.03596  -0.00799  -0.04378   2.97927
   D51       -3.13259  -0.00015  -0.00228  -0.00382  -0.00606  -3.13865
   D52       -0.06105  -0.00075  -0.02287  -0.02123  -0.04386  -0.10491
   D53        0.08170   0.00007   0.02604  -0.00174   0.02423   0.10592
   D54       -3.08722  -0.00012   0.02659  -0.00793   0.01827  -3.06895
   D55       -3.07022   0.00042   0.02668   0.01634   0.04277  -3.02745
   D56        0.04405   0.00023   0.02723   0.01015   0.03682   0.08087
   D57        3.07965   0.00070  -0.02767   0.00110  -0.02503   3.05462
   D58        0.04323   0.00112   0.04370   0.07003   0.11995   0.16318
   D59        1.05887  -0.00201  -0.11188  -0.08155  -0.20217   0.85670
   D60       -0.05172   0.00038  -0.02831  -0.01668  -0.04349  -0.09520
   D61       -3.08814   0.00081   0.04306   0.05225   0.10149  -2.98665
   D62       -2.07249  -0.00233  -0.11252  -0.09934  -0.22063  -2.29312
   D63        3.10481  -0.00051  -0.01394  -0.00606  -0.02051   3.08430
   D64       -0.00920  -0.00035  -0.01445   0.00001  -0.01467  -0.02387
   D65       -0.01386  -0.00009  -0.00363  -0.00197  -0.00563  -0.01949
   D66       -3.13796  -0.00018   0.00076  -0.00546  -0.00469   3.14053
   D67        3.07208  -0.00010  -0.01327  -0.00166  -0.01494   3.05714
   D68       -0.05202  -0.00019  -0.00888  -0.00515  -0.01400  -0.06602
   D69        0.02420   0.00017   0.00894   0.00393   0.01291   0.03711
   D70       -3.11713  -0.00006   0.00984  -0.00280   0.00712  -3.11001
   D71       -3.13486   0.00024   0.00456   0.00733   0.01189  -3.12297
   D72        0.00700   0.00001   0.00546   0.00060   0.00610   0.01310
   D73        2.91095  -0.00183  -0.05063  -0.05789  -0.10852   2.80243
   D74       -0.23059  -0.00186  -0.05069  -0.05869  -0.10938  -0.33997
   D75       -0.21250  -0.00191  -0.04612  -0.06144  -0.10756  -0.32006
   D76        2.92915  -0.00194  -0.04618  -0.06225  -0.10842   2.82072
   D77        0.00695  -0.00025   0.00055  -0.00779  -0.00722  -0.00027
   D78       -3.06594   0.00029   0.02093   0.00905   0.03020  -3.03574
   D79       -3.13490  -0.00002  -0.00033  -0.00115  -0.00153  -3.13643
   D80        0.07539   0.00052   0.02005   0.01569   0.03590   0.11129
   D81        0.02516  -0.00070   0.01691   0.01291   0.02861   0.05376
   D82       -3.12102  -0.00058   0.01358   0.01770   0.03028  -3.09073
   D83        3.06289  -0.00098  -0.05356  -0.05431  -0.11246   2.95043
   D84       -0.08328  -0.00086  -0.05688  -0.04951  -0.11079  -0.19407
   D85        2.06452   0.00617   0.10846   0.12108   0.23484   2.29935
   D86       -1.08166   0.00628   0.10514   0.12588   0.23651  -0.84514
   D87        0.01286   0.00054  -0.00257  -0.00169  -0.00399   0.00888
   D88        3.12910   0.00026  -0.00477   0.00212  -0.00247   3.12663
   D89       -3.12423   0.00042   0.00069  -0.00641  -0.00562  -3.12985
   D90       -0.00799   0.00015  -0.00151  -0.00260  -0.00410  -0.01210
   D91       -3.12814  -0.00030   0.00623  -0.00368   0.00238  -3.12576
   D92        0.06818  -0.00017   0.01922  -0.00352   0.01543   0.08361
   D93        0.00871  -0.00017   0.00280   0.00131   0.00413   0.01283
   D94       -3.07816  -0.00004   0.01578   0.00147   0.01718  -3.06098
   D95       -0.01981  -0.00003   0.00186  -0.00431  -0.00209  -0.02190
   D96       -3.13570   0.00023   0.00410  -0.00821  -0.00366  -3.13936
   D97        0.00193  -0.00007  -0.00165   0.00063  -0.00105   0.00088
   D98        3.12924   0.00002  -0.00369  -0.00063  -0.00430   3.12494
   D99        3.11859  -0.00034  -0.00383   0.00431   0.00036   3.11895
   D100      -0.03730  -0.00026  -0.00586   0.00305  -0.00288  -0.04018
   D101      -0.00343   0.00012  -0.00103   0.00196   0.00090  -0.00253
   D102      -3.13422  -0.00010   0.00140  -0.00498  -0.00353  -3.13775
   D103       3.08234  -0.00000  -0.01448   0.00186  -0.01282   3.06953
   D104      -0.04845  -0.00022  -0.01204  -0.00508  -0.01724  -0.06569
   D105      -0.00245  -0.00005  -0.00198  -0.00385  -0.00583  -0.00828
   D106      -3.13894  -0.00012  -0.00040  -0.00394  -0.00433   3.13991
   D107       3.12826   0.00015  -0.00438   0.00303  -0.00139   3.12687
   D108      -0.00823   0.00008  -0.00281   0.00294   0.00011  -0.00812
   D109       0.00314   0.00002   0.00331   0.00247   0.00581   0.00896
   D110      -3.12319  -0.00007   0.00549   0.00382   0.00929  -3.11390
   D111       3.13957   0.00011   0.00171   0.00258   0.00431  -3.13931
   D112       0.01323   0.00002   0.00389   0.00393   0.00779   0.02102
   D113       0.09600   0.00098   0.02110   0.03066   0.05176   0.14776
   D114      -3.04570   0.00097   0.02135   0.03035   0.05169  -2.99401
   D115      -3.04026   0.00090   0.02274   0.03056   0.05331  -2.98696
   D116       0.10122   0.00089   0.02299   0.03025   0.05324   0.15446
   D117      -3.13175   0.00002   0.00402  -0.00006   0.00405  -3.12769
   D118      -0.02558  -0.00026   0.00451  -0.00815  -0.00346  -0.02904
   D119       0.00995   0.00001   0.00385  -0.00048   0.00347   0.01342
   D120       3.11612  -0.00027   0.00434  -0.00857  -0.00405   3.11207
   D121      -3.13663  -0.00001   0.00437  -0.00108   0.00337  -3.13326
   D122      -0.03799  -0.00022   0.00300  -0.00690  -0.00372  -0.04172
   D123       0.00485   0.00000   0.00453  -0.00065   0.00396   0.00881
   D124       3.10349  -0.00021   0.00316  -0.00648  -0.00313   3.10036
   D125      -3.13289   0.00000   0.00391  -0.00079   0.00320  -3.12969
   D126      -0.03334  -0.00021   0.00254  -0.00658  -0.00385  -0.03720
   D127       0.00865   0.00003   0.00396  -0.00003   0.00403   0.01268
   D128       3.10820  -0.00018   0.00260  -0.00582  -0.00302   3.10517
   D129      -3.13564   0.00003   0.00466  -0.00002   0.00472  -3.13092
   D130      -0.03370  -0.00025   0.00353  -0.00772  -0.00400  -0.03770
   D131       0.00600  -0.00000   0.00460  -0.00079   0.00389   0.00990
   D132       3.10795  -0.00028   0.00347  -0.00849  -0.00483   3.10312
   D133       3.13387  -0.00002  -0.00409   0.00009  -0.00407   3.12979
   D134       0.02176   0.00013  -0.00478   0.00459  -0.00035   0.02142
   D135      -0.00762  -0.00001  -0.00432   0.00040  -0.00401  -0.01163
   D136      -3.11972   0.00014  -0.00501   0.00489  -0.00028  -3.12000
   D137       3.13496  -0.00000  -0.00425   0.00063  -0.00370   3.13126
   D138       0.01483   0.00022  -0.00649   0.00704   0.00040   0.01524
   D139      -0.00674  -0.00001  -0.00401   0.00033  -0.00376  -0.01050
   D140      -3.12687   0.00021  -0.00625   0.00674   0.00034  -3.12652
   D141      -0.01542  -0.00005  -0.00879   0.00066  -0.00818  -0.02359
   D142       3.09038   0.00018   0.01570   0.00190   0.01811   3.10848
   D143      -3.11574   0.00013  -0.00720   0.00622  -0.00107  -3.11680
   D144      -0.00994   0.00036   0.01729   0.00746   0.02521   0.01527
   D145       0.00741   0.00002   0.00499  -0.00062   0.00445   0.01186
   D146      -3.13264   0.00003   0.00494   0.00009   0.00511  -3.12753
   D147      -3.09895  -0.00016  -0.02045  -0.00153  -0.02149  -3.12043
   D148       0.04419  -0.00015  -0.02050  -0.00083  -0.02083   0.02336
   D149       0.00685   0.00003   0.00335  -0.00006   0.00336   0.01021
   D150      -3.10087  -0.00010  -0.02209   0.00070  -0.02089  -3.12177
   D151      -3.13629   0.00001   0.00340  -0.00077   0.00271  -3.13358
   D152       0.03917  -0.00011  -0.02203  -0.00001  -0.02155   0.01763
   D153       0.87350   0.00006   0.11462   0.01560   0.13022   1.00372
   D154      -2.26846   0.00003   0.11365   0.01484   0.12850  -2.13996
   D155      -2.26653   0.00008   0.11454   0.01633   0.13087  -2.13566
   D156       0.87470   0.00005   0.11358   0.01557   0.12915   1.00384
   D157      -0.01375  -0.00004  -0.00829   0.00078  -0.00757  -0.02132
   D158      -3.11638   0.00021  -0.00690   0.00826   0.00127  -3.11511
   D159       3.09339   0.00013   0.01622   0.00030   0.01702   3.11041
   D160      -0.00924   0.00038   0.01762   0.00778   0.02586   0.01662
   D161      -0.01564  -0.00003  -0.00851   0.00136  -0.00720  -0.02285
   D162       3.09421   0.00014   0.01689   0.00090   0.01833   3.11254
   D163      -3.12243   0.00023  -0.00875   0.00920   0.00034  -3.12209
   D164      -0.01258   0.00040   0.01665   0.00875   0.02587   0.01329
   D165       0.00634   0.00000   0.00473  -0.00121   0.00359   0.00993
   D166      -3.13397   0.00001   0.00467  -0.00055   0.00419  -3.12977
   D167      -3.10401  -0.00013  -0.02159  -0.00051  -0.02159  -3.12560
   D168       0.03886  -0.00011  -0.02164   0.00015  -0.02098   0.01788
   D169       0.00805   0.00003   0.00343   0.00023   0.00374   0.01178
   D170      -3.09786  -0.00014  -0.02171  -0.00035  -0.02157  -3.11943
   D171      -3.13482   0.00002   0.00348  -0.00044   0.00313  -3.13169
   D172       0.04246  -0.00015  -0.02166  -0.00102  -0.02218   0.02028
   D173      -2.26028   0.00011   0.11669   0.01665   0.13334  -2.12693
   D174       0.88088   0.00009   0.11696   0.01614   0.13310   1.01398
   D175       0.88261   0.00012   0.11661   0.01734   0.13395   1.01656
   D176      -2.25942   0.00011   0.11689   0.01682   0.13371  -2.12571
   D177      -0.01383  -0.00004  -0.00821   0.00071  -0.00755  -0.02139
   D178      -3.11321   0.00014  -0.00656   0.00633  -0.00033  -3.11353
   D179       3.09147   0.00018   0.01599   0.00161   0.01811   3.10957
   D180      -0.00790   0.00036   0.01763   0.00723   0.02533   0.01743
   D181       0.01456   0.00005   0.00853  -0.00043   0.00815   0.02270
   D182      -3.09382  -0.00020  -0.01617  -0.00245  -0.01913  -3.11296
   D183       3.12738  -0.00008   0.00904  -0.00468   0.00448   3.13187
   D184       0.01900  -0.00033  -0.01565  -0.00671  -0.02280  -0.00380
   D185      -0.00706  -0.00003  -0.00431  -0.00014  -0.00452  -0.01158
   D186       3.13309  -0.00003  -0.00459   0.00004  -0.00462   3.12846
   D187       3.10183   0.00017   0.02130   0.00158   0.02239   3.12421
   D188      -0.04121   0.00018   0.02102   0.00176   0.02229  -0.01893
   D189      -0.00691  -0.00000  -0.00381   0.00074  -0.00313  -0.01004
   D190       3.10555   0.00014   0.02224   0.00069   0.02243   3.12798
   D191       3.13613  -0.00001  -0.00353   0.00056  -0.00303   3.13310
   D192      -0.03459   0.00013   0.02252   0.00051   0.02253  -0.01206
   D193       2.26489  -0.00002  -0.11488  -0.01404  -0.12892   2.13597
   D194      -0.87716  -0.00004  -0.11532  -0.01454  -0.12987  -1.00703
   D195      -0.87816  -0.00002  -0.11515  -0.01387  -0.12902  -1.00718
   D196       2.26297  -0.00003  -0.11559  -0.01438  -0.12997   2.13300
   D197       0.01402   0.00003   0.00811  -0.00084   0.00733   0.02135
   D198       3.13452  -0.00017   0.01014  -0.00705   0.00323   3.13776
   D199      -3.09796  -0.00016  -0.01707  -0.00103  -0.01863  -3.11659
   D200       0.02255  -0.00035  -0.01503  -0.00725  -0.02272  -0.00018
   D201       3.13867   0.00006  -0.00173   0.00184   0.00013   3.13881
   D202       0.07298  -0.00046  -0.01235  -0.01181  -0.02391   0.04907
   D203      -0.00255   0.00007  -0.00197   0.00228   0.00034  -0.00221
   D204      -3.06824  -0.00045  -0.01258  -0.01137  -0.02371  -3.09195
   D205       3.14012   0.00005  -0.00170   0.00138  -0.00030   3.13982
   D206       0.07466  -0.00047  -0.01202  -0.01229  -0.02407   0.05058
   D207      -0.00185   0.00004  -0.00146   0.00094  -0.00050  -0.00235
   D208      -3.06731  -0.00048  -0.01179  -0.01273  -0.02428  -3.09158
   D209       3.13749   0.00004  -0.00265   0.00108  -0.00156   3.13593
   D210       0.07280  -0.00047  -0.01283  -0.01237  -0.02497   0.04783
   D211      -0.00379   0.00006  -0.00183   0.00172  -0.00009  -0.00389
   D212      -3.06848  -0.00045  -0.01201  -0.01172  -0.02350  -3.09199
   D213       3.14113   0.00007  -0.00079   0.00211   0.00134  -3.14072
   D214       0.07658  -0.00043  -0.01109  -0.01130  -0.02215   0.05443
   D215      -0.00077   0.00005  -0.00162   0.00146  -0.00013  -0.00090
   D216      -3.06532  -0.00046  -0.01191  -0.01194  -0.02362  -3.08894
   D217      -3.14113  -0.00006   0.00115  -0.00171  -0.00058   3.14148
   D218      -0.07667   0.00045   0.01130   0.01191   0.02298  -0.05370
   D219       0.00085  -0.00005   0.00153  -0.00128   0.00023   0.00109
   D220       3.06531   0.00047   0.01168   0.01234   0.02378   3.08910
   D221      -3.13736  -0.00006   0.00238  -0.00161   0.00075  -3.13661
   D222      -0.07265   0.00047   0.01249   0.01227   0.02453  -0.04812
   D223       0.00384  -0.00007   0.00200  -0.00204  -0.00006   0.00378
   D224       3.06855   0.00045   0.01211   0.01184   0.02372   3.09227
   D225       0.00675  -0.00015   0.00447  -0.00414   0.00026   0.00701
   D226      -3.11684  -0.00012   0.00678  -0.00312   0.00350  -3.11334
   D227       3.07785   0.00046   0.01196   0.00900   0.02126   3.09911
   D228      -0.04574   0.00049   0.01427   0.01002   0.02450  -0.02124
   D229       3.09624   0.00034  -0.00404   0.00950   0.00528   3.10152
   D230      -0.03650   0.00029  -0.01901   0.00960  -0.00927  -0.04577
   D231       0.04045  -0.00032  -0.01443  -0.00598  -0.02062   0.01983
   D232      -3.09229  -0.00037  -0.02940  -0.00587  -0.03517  -3.12746
   D233      -0.00712   0.00019  -0.00538   0.00499  -0.00032  -0.00745
   D234       3.11146   0.00018  -0.00843   0.00417  -0.00420   3.10727
   D235       3.11280   0.00017  -0.00841   0.00388  -0.00447   3.10832
   D236      -0.05180   0.00016  -0.01146   0.00306  -0.00835  -0.06015
   D237       0.01672  -0.00023  -0.00462  -0.00510  -0.00969   0.00703
   D238      -3.13477  -0.00017  -0.00275  -0.00402  -0.00671  -3.14148
   D239      -3.10114  -0.00018  -0.00140  -0.00381  -0.00521  -3.10635
   D240       0.03055  -0.00012   0.00047  -0.00272  -0.00224   0.02832
   D241       0.00489  -0.00014   0.00433  -0.00398   0.00029   0.00518
   D242       3.07583   0.00048   0.01190   0.00918   0.02139   3.09721
   D243      -3.11760  -0.00012   0.00664  -0.00318   0.00329  -3.11431
   D244      -0.04666   0.00050   0.01421   0.00997   0.02439  -0.02228
   D245      -3.09925  -0.00021  -0.00141  -0.00429  -0.00570  -3.10495
   D246       0.03099  -0.00013   0.00040  -0.00283  -0.00241   0.02858
   D247       0.01715  -0.00024  -0.00463  -0.00528  -0.00987   0.00728
   D248      -3.13580  -0.00016  -0.00282  -0.00382  -0.00658   3.14081
   D249       3.09651   0.00034  -0.00391   0.00977   0.00567   3.10218
   D250      -0.03188   0.00027  -0.01799   0.00918  -0.00869  -0.04057
   D251       0.04089  -0.00032  -0.01443  -0.00568  -0.02032   0.02056
   D252      -3.08751  -0.00039  -0.02851  -0.00627  -0.03468  -3.12219
   D253       0.00582  -0.00016   0.00453  -0.00452  -0.00006   0.00576
   D254      -3.11762  -0.00013   0.00666  -0.00349   0.00300  -3.11463
   D255       3.07783   0.00047   0.01239   0.00885   0.02156   3.09939
   D256      -0.04562   0.00050   0.01452   0.00987   0.02461  -0.02101
   D257       3.09679   0.00035  -0.00391   0.01012   0.00603   3.10282
   D258      -0.03429   0.00029  -0.01857   0.00989  -0.00856  -0.04285
   D259       0.03987  -0.00031  -0.01477  -0.00559  -0.02058   0.01929
   D260      -3.09121  -0.00038  -0.02944  -0.00582  -0.03516  -3.12638
   D261      -0.00686   0.00019  -0.00535   0.00504  -0.00023  -0.00709
   D262       3.11244   0.00018  -0.00848   0.00427  -0.00415   3.10828
   D263       3.11287   0.00017  -0.00817   0.00394  -0.00416   3.10871
   D264      -0.05102   0.00016  -0.01130   0.00317  -0.00808  -0.05910
   D265       0.01699  -0.00024  -0.00463  -0.00527  -0.00987   0.00711
   D266      -3.13496  -0.00017  -0.00270  -0.00401  -0.00665   3.14157
   D267      -3.10066  -0.00020  -0.00165  -0.00398  -0.00564  -3.10630
   D268       0.03058  -0.00013   0.00028  -0.00272  -0.00242   0.02816
   D269       0.00539  -0.00014   0.00422  -0.00369   0.00046   0.00585
   D270       3.07719   0.00048   0.01186   0.00962   0.02179   3.09898
   D271      -3.11769  -0.00011   0.00661  -0.00295   0.00350  -3.11419
   D272      -0.04588   0.00050   0.01425   0.01036   0.02482  -0.02106
   D273      -3.10010  -0.00021  -0.00118  -0.00455  -0.00572  -3.10582
   D274       0.03061  -0.00013   0.00049  -0.00296  -0.00245   0.02816
   D275       0.01707  -0.00024  -0.00450  -0.00547  -0.00994   0.00713
   D276      -3.13541  -0.00016  -0.00284  -0.00388  -0.00666   3.14111
   D277       3.09677   0.00035  -0.00398   0.00967   0.00551   3.10228
   D278      -0.03368   0.00028  -0.01840   0.00919  -0.00909  -0.04277
   D279       0.04012  -0.00032  -0.01454  -0.00603  -0.02079   0.01933
   D280      -3.09033  -0.00039  -0.02896  -0.00652  -0.03539  -3.12572
   D281      -0.00506   0.00014  -0.00436   0.00399  -0.00030  -0.00537
   D282       3.11747   0.00012  -0.00670   0.00309  -0.00345   3.11403
   D283      -3.07592  -0.00048  -0.01181  -0.00932  -0.02144  -3.09736
   D284       0.04661  -0.00050  -0.01415  -0.01022  -0.02458   0.02203
   D285      -3.09647  -0.00034   0.00406  -0.00977  -0.00553  -3.10201
   D286       0.03264  -0.00027   0.01816  -0.00919   0.00884   0.04148
   D287      -0.04096   0.00032   0.01442   0.00589   0.02052  -0.02044
   D288       3.08816   0.00039   0.02851   0.00647   0.03489   3.12305
   D289       0.00733  -0.00019   0.00551  -0.00520   0.00025   0.00757
   D290      -3.11280  -0.00017   0.00833  -0.00404   0.00424  -3.10856
   D291      -3.11132  -0.00018   0.00860  -0.00424   0.00430  -3.10702
   D292       0.05174  -0.00016   0.01142  -0.00308   0.00829   0.06002
   D293      -0.01712   0.00024   0.00455   0.00541   0.00992  -0.00720
   D294       3.13571   0.00016   0.00283   0.00393   0.00670  -3.14078
   D295       3.09935   0.00020   0.00128   0.00428   0.00556   3.10491
   D296      -0.03102   0.00013  -0.00043   0.00280   0.00234  -0.02867
   D297      -0.00690   0.00016  -0.00465   0.00446  -0.00012  -0.00703
   D298      -3.07804  -0.00047  -0.01208  -0.00907  -0.02146  -3.09950
   D299       3.11686   0.00013  -0.00679   0.00340  -0.00323   3.11363
   D300       0.04573  -0.00050  -0.01422  -0.01014  -0.02456   0.02116
   D301       3.10103   0.00020   0.00145   0.00410   0.00555   3.10657
   D302      -0.03038   0.00013  -0.00031   0.00277   0.00244  -0.02794
   D303      -0.01705   0.00024   0.00443   0.00545   0.00985  -0.00721
   D304       3.13472   0.00017   0.00267   0.00412   0.00674   3.14146
   D305      -3.09590  -0.00036   0.00421  -0.01015  -0.00576  -3.10166
   D306       0.03627  -0.00030   0.01903  -0.00999   0.00891   0.04517
   D307      -0.04007   0.00032   0.01453   0.00580   0.02054  -0.01953
   D308       3.09209   0.00037   0.02935   0.00596   0.03521   3.12730
   D309       0.01572  -0.00012  -0.00465  -0.00291  -0.00750   0.00822
   D310      -3.12965  -0.00018   0.00620  -0.00597   0.00027  -3.12938
   D311      -3.11443  -0.00020  -0.00646  -0.00443  -0.01084  -3.12528
   D312       0.02337  -0.00027   0.00439  -0.00749  -0.00307   0.02030
   D313      -0.02130   0.00031   0.00410   0.00733   0.01146  -0.00984
   D314       3.12413   0.00000   0.01250  -0.00132   0.01114   3.13528
   D315       3.12406   0.00038  -0.00673   0.01038   0.00372   3.12778
   D316      -0.01369   0.00007   0.00167   0.00173   0.00340  -0.01029
   D317      -0.00692  -0.00012   0.00575  -0.00308   0.00249  -0.00444
   D318       3.12141  -0.00003   0.01922  -0.00238   0.01692   3.13833
   D319       3.13085   0.00019  -0.00258   0.00550   0.00278   3.13364
   D320      -0.02400   0.00028   0.01090   0.00621   0.01722  -0.00678
   D321      -0.00745  -0.00010   0.00560  -0.00274   0.00268  -0.00477
   D322       3.12783   0.00022  -0.00322   0.00627   0.00290   3.13073
   D323       3.12525  -0.00004   0.02001  -0.00277   0.01734  -3.14060
   D324      -0.02266   0.00028   0.01120   0.00623   0.01756  -0.00510
   D325      -0.02030   0.00031   0.00432   0.00722   0.01156  -0.00874
   D326       3.12267   0.00039  -0.00687   0.01066   0.00386   3.12653
   D327       3.12765  -0.00002   0.01321  -0.00187   0.01131   3.13896
   D328      -0.01256   0.00006   0.00202   0.00157   0.00360  -0.00895
   D329       0.01523  -0.00012  -0.00480  -0.00306  -0.00780   0.00744
   D330      -3.11639  -0.00019  -0.00667  -0.00420  -0.01082  -3.12721
   D331      -3.12775  -0.00020   0.00642  -0.00652  -0.00006  -3.12781
   D332       0.02381  -0.00027   0.00454  -0.00766  -0.00308   0.02073
   D333       0.01514  -0.00012  -0.00486  -0.00295  -0.00776   0.00738
   D334      -3.12909  -0.00019   0.00614  -0.00605   0.00013  -3.12896
   D335      -3.11549  -0.00020  -0.00653  -0.00460  -0.01108  -3.12657
   D336       0.02347  -0.00027   0.00447  -0.00770  -0.00320   0.02027
   D337      -0.02070   0.00031   0.00424   0.00741   0.01168  -0.00902
   D338       3.12580  -0.00000   0.01281  -0.00144   0.01134   3.13715
   D339       3.12351   0.00038  -0.00673   0.01050   0.00383   3.12734
   D340      -0.01317   0.00006   0.00184   0.00165   0.00350  -0.00967
   D341      -0.00685  -0.00011   0.00576  -0.00296   0.00263  -0.00422
   D342       3.12355  -0.00003   0.01961  -0.00237   0.01732   3.14087
   D343       3.12986   0.00020  -0.00273   0.00582   0.00294   3.13280
   D344      -0.02293   0.00028   0.01111   0.00640   0.01764  -0.00529
   D345      -0.00679  -0.00012   0.00582  -0.00308   0.00256  -0.00423
   D346       3.12941   0.00020  -0.00285   0.00583   0.00283   3.13223
   D347       3.12423  -0.00004   0.01991  -0.00275   0.01726   3.14149
   D348      -0.02276   0.00028   0.01124   0.00616   0.01753  -0.00523
   D349      -0.02059   0.00031   0.00433   0.00724   0.01161  -0.00899
   D350       3.12299   0.00039  -0.00691   0.01068   0.00383   3.12682
   D351       3.12644  -0.00001   0.01308  -0.00174   0.01131   3.13775
   D352      -0.01317   0.00007   0.00183   0.00169   0.00354  -0.00964
   D353       0.01504  -0.00012  -0.00492  -0.00282  -0.00768   0.00736
   D354      -3.11612  -0.00020  -0.00685  -0.00415  -0.01095  -3.12708
   D355      -3.12855  -0.00019   0.00635  -0.00627   0.00012  -3.12842
   D356       0.02348  -0.00027   0.00442  -0.00759  -0.00315   0.02033
   D357      -0.01492   0.00011   0.00497   0.00279   0.00770  -0.00722
   D358       3.12813   0.00020  -0.00629   0.00632  -0.00000   3.12813
   D359       3.11642   0.00019   0.00673   0.00417   0.01085   3.12727
   D360      -0.02372   0.00027  -0.00453   0.00771   0.00315  -0.02056
   D361       0.02036  -0.00031  -0.00433  -0.00725  -0.01161   0.00875
   D362      -3.12737   0.00002  -0.01310   0.00188  -0.01120  -3.13857
   D363      -3.12268  -0.00039   0.00689  -0.01078  -0.00395  -3.12663
   D364       0.01277  -0.00006  -0.00188  -0.00164  -0.00353   0.00925
   D365       0.00705   0.00011  -0.00571   0.00300  -0.00254   0.00451
   D366      -3.12507   0.00004  -0.01998   0.00276  -0.01731   3.14080
   D367      -3.12844  -0.00021   0.00298  -0.00606  -0.00293  -3.13137
   D368       0.02262  -0.00028  -0.01128  -0.00629  -0.01771   0.00492
   D369       0.00714   0.00011  -0.00575   0.00303  -0.00255   0.00460
   D370      -3.13036  -0.00020   0.00263  -0.00567  -0.00289  -3.13325
   D371      -3.12192   0.00003  -0.01925   0.00234  -0.01699  -3.13891
   D372       0.02377  -0.00028  -0.01086  -0.00636  -0.01734   0.00643
   D373       0.02106  -0.00031  -0.00412  -0.00740  -0.01154   0.00952
   D374      -3.12404  -0.00038   0.00669  -0.01046  -0.00383  -3.12787
   D375      -3.12466   0.00000  -0.01258   0.00137  -0.01118  -3.13583
   D376       0.01344  -0.00006  -0.00178  -0.00168  -0.00347   0.00997
   D377      -0.01561   0.00012   0.00471   0.00294   0.00759  -0.00803
   D378       3.11467   0.00020   0.00643   0.00448   0.01086   3.12553
   D379       3.12949   0.00019  -0.00611   0.00600  -0.00015   3.12934
   D380      -0.02341   0.00027  -0.00440   0.00754   0.00312  -0.02029
         Item               Value     Threshold  Converged?
 Maximum Force            0.007912     0.000450     NO 
 RMS     Force            0.001142     0.000300     NO 
 Maximum Displacement     1.058184     0.001800     NO 
 RMS     Displacement     0.118848     0.001200     NO 
 Predicted change in Energy=-7.946937D-03
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C74H46ClN5
 Framework group  C1[X(C74H46ClN5)]
 Deg. of freedom   372
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        1.263761    2.448006   -0.115500
      2          6           0        1.594179    1.091435   -0.137446
      3          6           0        0.624361    0.074384   -0.088873
      4          6           0       -0.732289    0.451339   -0.031555
      5          6           0       -1.075288    1.815353   -0.004784
      6          6           0       -0.103561    2.790608   -0.042282
      7          6           0        0.990367   -1.361860   -0.065457
      8          6           0       -0.025046   -2.356133   -0.043108
      9          6           0       -1.404610   -1.945593   -0.101485
     10          6           0       -1.786286   -0.563856   -0.030663
     11          6           0        2.327271   -1.778209   -0.025769
     12          6           0        2.697405   -3.123436    0.074422
     13          6           0        1.666971   -4.081085    0.160946
     14          6           0        0.340478   -3.712399    0.104062
     15          7           0       -2.408069   -2.836732   -0.235529
     16          6           0       -3.726940   -2.488219   -0.195005
     17          6           0       -4.032419   -1.109491   -0.068906
     18          7           0       -3.051068   -0.173588   -0.001936
     19          6           0       -4.752404   -3.445084   -0.277376
     20          6           0       -6.057617   -3.020135   -0.248976
     21          6           0       -6.416688   -1.637787   -0.135461
     22          6           0       -5.389729   -0.712813   -0.042412
     23          6           0        2.325917    3.505837   -0.166170
     24          6           0        4.138716   -3.526358    0.112516
     25          6           0       -7.857112   -1.220396   -0.110605
     26          6           0        4.534359   -4.782093    0.607056
     27          6           0        5.872019   -5.153520    0.656712
     28          6           0        6.856035   -4.281138    0.182429
     29          6           0        6.487156   -3.032122   -0.326688
     30          6           0        5.148891   -2.662278   -0.346492
     31          6           0        2.024147    4.825274   -0.545882
     32          6           0        3.006561    5.806007   -0.610553
     33          6           0        4.324775    5.494640   -0.267178
     34          6           0        4.648133    4.193356    0.128130
     35          6           0        3.661530    3.216230    0.163547
     36          6           0       -8.898549   -2.160087   -0.020307
     37          6           0      -10.231616   -1.768047    0.016364
     38          6           0      -10.562300   -0.413437   -0.064288
     39          6           0       -9.545311    0.541114   -0.167614
     40          6           0       -8.217244    0.138211   -0.177248
     41          7           0        5.331544    6.496098   -0.317217
     42          7           0        8.223581   -4.661076    0.214345
     43          7           0      -11.922374   -0.006502   -0.043531
     44          6           0        8.781461   -5.801697   -0.396969
     45          6           0       10.172986   -5.824875   -0.143382
     46          6           0       10.478043   -4.659066    0.661760
     47          6           0        9.262939   -3.962772    0.860985
     48          6           0        6.511906    6.446195   -1.084006
     49          6           0        7.252446    7.631903   -0.865914
     50          6           0        6.500046    8.435340    0.076628
     51          6           0        5.324318    7.713894    0.390798
     52          6           0      -12.507628    0.879976    0.882616
     53          6           0      -13.878794    1.031661    0.569895
     54          6           0      -14.142218    0.212607   -0.596372
     55          6           0      -12.924130   -0.416308   -0.945780
     56          6           0       11.647834   -4.161551    1.247480
     57          6           0       11.583366   -3.003791    2.015043
     58          6           0       10.362704   -2.340604    2.213923
     59          6           0        9.182060   -2.810242    1.642752
     60          6           0        8.151105   -6.759242   -1.191728
     61          6           0        8.944866   -7.774613   -1.720555
     62          6           0       10.324350   -7.828385   -1.468464
     63          6           0       10.943732   -6.858585   -0.687723
     64          6           0        6.722545    9.670697    0.695981
     65          6           0        5.788856   10.150919    1.607673
     66          6           0        4.638324    9.408804    1.916354
     67          6           0        4.388103    8.177260    1.315378
     68          6           0        6.925456    5.462030   -1.982136
     69          6           0        8.126295    5.674229   -2.655537
     70          6           0        8.886890    6.834314   -2.442625
     71          6           0        8.456022    7.815468   -1.556418
     72          6           0      -15.276105   -0.023252   -1.382217
     73          6           0      -15.173778   -0.860438   -2.487835
     74          6           0      -13.950224   -1.459407   -2.824731
     75          6           0      -12.804763   -1.245291   -2.061313
     76          6           0      -11.921242    1.493965    1.989456
     77          6           0      -12.737594    2.298276    2.781477
     78          6           0      -14.096458    2.478707    2.480746
     79          6           0      -14.672960    1.847506    1.384006
     80          1           0       -2.195403   -3.836703   -0.151866
     81          1           0        2.633098    0.812145   -0.227542
     82          1           0       -2.129271    2.063732    0.048860
     83          1           0       -0.396915    3.831994    0.011694
     84          1           0        3.101380   -1.025893   -0.013178
     85          1           0        1.907577   -5.130717    0.269323
     86          1           0       -0.417938   -4.468526    0.274191
     87          1           0       -4.495112   -4.498412   -0.297345
     88          1           0       -6.839124   -3.765662   -0.309399
     89          1           0       -5.569356    0.348351    0.071360
     90          1           0        3.793047   -5.466557    1.002443
     91          1           0        6.174141   -6.111445    1.067352
     92          1           0        7.260067   -2.372970   -0.708489
     93          1           0        4.883302   -1.699449   -0.768626
     94          1           0        1.012666    5.086824   -0.834907
     95          1           0        2.772818    6.816477   -0.930014
     96          1           0        5.671729    3.971086    0.411942
     97          1           0        3.930005    2.220631    0.498602
     98          1           0       -8.677859   -3.217988    0.053841
     99          1           0      -11.028790   -2.497882    0.112650
    100          1           0       -9.816114    1.589261   -0.242436
    101          1           0       -7.449196    0.897896   -0.261897
    102          1           0       12.592663   -4.680379    1.108509
    103          1           0       12.487102   -2.603121    2.464458
    104          1           0       10.336278   -1.440728    2.822645
    105          1           0        8.233057   -2.307343    1.792345
    106          1           0        7.084300   -6.708872   -1.379537
    107          1           0        8.483516   -8.542541   -2.335743
    108          1           0       10.911068   -8.641787   -1.884872
    109          1           0       12.014590   -6.896601   -0.505983
    110          1           0        7.618980   10.242266    0.470331
    111          1           0        5.946109   11.113610    2.084892
    112          1           0        3.924965    9.802987    2.635231
    113          1           0        3.502861    7.595197    1.546879
    114          1           0        6.329574    4.569631   -2.138806
    115          1           0        8.481994    4.923142   -3.355842
    116          1           0        9.825319    6.961430   -2.974054
    117          1           0        9.041527    8.718451   -1.404680
    118          1           0      -16.222562    0.449080   -1.132607
    119          1           0      -16.050494   -1.059920   -3.096764
    120          1           0      -13.894172   -2.107750   -3.695097
    121          1           0      -11.854575   -1.703685   -2.312258
    122          1           0      -10.870792    1.346029    2.214470
    123          1           0      -12.310700    2.797771    3.647053
    124          1           0      -14.701106    3.122876    3.112142
    125          1           0      -15.729099    1.978192    1.163398
    126         17           0       -2.144304   -5.045920    1.696490
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           0.0228170           0.0073856           0.0057568
 Standard basis: 6-31G(d,p) (6D, 7F)
 There are  1434 symmetry adapted cartesian basis functions of A   symmetry.
 There are  1434 symmetry adapted basis functions of A   symmetry.
  1434 basis functions,  2586 primitive gaussians,  1434 cartesian basis functions
   271 alpha electrons      271 beta electrons
       nuclear repulsion energy     10544.4676652729 Hartrees.
 NAtoms=  126 NActive=  126 NUniq=  126 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=T Big=T
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 One-electron integrals computed using PRISM.
 NBasis=  1434 RedAO= T EigKep=  1.54D-04  NBF=  1434
 NBsUse=  1434 1.00D-06 EigRej= -1.00D+00 NBFU=  1434
 Initial guess from the checkpoint file:  "ph.chk"
 B after Tr=     0.000000    0.000000   -0.000000
         Rot=    0.999992   -0.003999    0.000035   -0.000460 Ang=  -0.46 deg.
 ExpMin= 1.43D-01 ExpMax= 2.52D+04 ExpMxC= 3.78D+03 IAcc=2 IRadAn=         4 AccDes= 0.00D+00
 Harris functional with IExCor=  402 and IRadAn=       4 diagonalized for initial guess.
 HarFok:  IExCor=  402 AccDes= 0.00D+00 IRadAn=         4 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=        2001
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Petite list used in FoFCou.
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Integral accuracy reduced to 1.0D-05 until final iterations.
 Initial convergence to 1.0D-05 achieved.  Increase integral accuracy.
 SCF Done:  E(RB3LYP) =  -3581.75583172     A.U. after   15 cycles
            NFock= 15  Conv=0.36D-08     -V/T= 2.0088
 Calling FoFJK, ICntrl=      2127 FMM=T ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.007522882    0.003603484   -0.000526689
      2        6           0.001750215   -0.000186493    0.001602557
      3        6          -0.002957279   -0.006269545   -0.000035000
      4        6           0.004488843    0.001075230   -0.000180684
      5        6           0.003349589   -0.002459478    0.000398330
      6        6          -0.001805318    0.001865546   -0.001576113
      7        6          -0.002182032    0.006336786    0.000286041
      8        6           0.000049648   -0.000269186   -0.001988152
      9        6           0.004176714   -0.001177721    0.003872038
     10        6          -0.005453565    0.003804514    0.000538307
     11        6           0.001797857    0.001512317   -0.001732230
     12        6          -0.006567067   -0.005142404   -0.000035470
     13        6          -0.003137441   -0.000642342    0.000628185
     14        6          -0.001226304    0.001892739    0.002063197
     15        7          -0.005301269    0.008670140   -0.003877234
     16        6          -0.004212012   -0.001623714    0.001664695
     17        6          -0.000207130    0.003826774    0.001205901
     18        7           0.003127735   -0.000977794    0.000924317
     19        6           0.001266436   -0.003001786   -0.001433095
     20        6           0.001068317    0.002993643   -0.000247199
     21        6           0.007058724    0.001887604    0.000293192
     22        6          -0.001819193    0.000530079   -0.001381682
     23        6           0.006628759   -0.003856269    0.000560723
     24        6           0.005940795    0.004130209    0.000296382
     25        6          -0.006701714   -0.003224983    0.000131553
     26        6           0.001765368   -0.000048439   -0.001669286
     27        6          -0.000393653   -0.000296110    0.001399766
     28        6          -0.005713167   -0.003463646   -0.000156796
     29        6          -0.000464987   -0.000170498   -0.001490964
     30        6           0.000456026    0.001524319    0.001672890
     31        6           0.001642619    0.000357292    0.001517321
     32        6          -0.000147480    0.000175126   -0.001487684
     33        6          -0.006319837    0.003338998   -0.000393640
     34        6          -0.000459650    0.000219973    0.001420816
     35        6           0.000606617   -0.001584993   -0.001632069
     36        6          -0.000021883   -0.001739626   -0.000534410
     37        6          -0.000016122    0.000407359    0.001362306
     38        6           0.005940801    0.003951510    0.000034578
     39        6           0.000475950   -0.000175248   -0.001531721
     40        6          -0.001420587    0.000418814    0.000389613
     41        7          -0.005027580    0.002818975   -0.000343123
     42        7          -0.005402307   -0.003367162   -0.000420442
     43        7           0.004976614    0.003123571   -0.000180352
     44        6           0.003320044    0.008815777   -0.002599582
     45        6          -0.000829458   -0.000469332    0.001050417
     46        6          -0.000809683   -0.000552385   -0.001106026
     47        6           0.009400849   -0.000928318    0.003225340
     48        6           0.009085515    0.001203286   -0.002662943
     49        6          -0.000803916    0.000502722    0.001091370
     50        6          -0.000781473    0.000368694   -0.001191695
     51        6           0.003626433   -0.008234938    0.003532414
     52        6          -0.003874191   -0.007602905    0.004688570
     53        6           0.001004684    0.000203129   -0.001058200
     54        6           0.000550272    0.000794355    0.001032644
     55        6          -0.008485594   -0.000309879   -0.004475175
     56        6          -0.000585029   -0.001940894    0.001262388
     57        6          -0.001966170    0.000313643   -0.000435493
     58        6           0.000964232    0.002539097   -0.000337477
     59        6          -0.001295718   -0.000113595    0.000614818
     60        6          -0.000555398   -0.001109544   -0.000724751
     61        6           0.002699687   -0.000300249    0.000428074
     62        6          -0.000623823   -0.001894651    0.000295834
     63        6          -0.001959663    0.000333597   -0.001316908
     64        6          -0.001994350   -0.000359030    0.001290160
     65        6          -0.000654745    0.001830105   -0.000537607
     66        6           0.002655457    0.000426265   -0.000379254
     67        6          -0.000677384    0.001085970    0.000593391
     68        6          -0.001182021   -0.000019509   -0.000773579
     69        6           0.001012213   -0.002451645    0.000617222
     70        6          -0.001936261   -0.000395337    0.000347379
     71        6          -0.000652825    0.001791348   -0.001460237
     72        6           0.000818231    0.001516145   -0.001667238
     73        6           0.001864775   -0.000121325    0.000756916
     74        6          -0.000980636   -0.002369291    0.000941166
     75        6           0.001338361   -0.000102683   -0.000491340
     76        6           0.000507032    0.001262832    0.000434275
     77        6          -0.002545820    0.000057467   -0.000930914
     78        6           0.000640466    0.001726603   -0.000816668
     79        6           0.001718599    0.000116359    0.001689316
     80        1           0.004034279   -0.011433056   -0.009822390
     81        1          -0.001146640    0.000215580    0.000417169
     82        1          -0.001285232    0.001300300   -0.000213661
     83        1           0.000639288    0.000466489   -0.000170041
     84        1          -0.001025790   -0.000308784   -0.000320169
     85        1           0.000874729   -0.000676115    0.000357944
     86        1           0.001524921   -0.001708334    0.001489779
     87        1          -0.000003111   -0.000004343    0.000498505
     88        1          -0.000175313   -0.001119126    0.000532641
     89        1           0.000049024    0.000078380   -0.000093339
     90        1           0.000090616   -0.000252878   -0.000390175
     91        1           0.001434949    0.000458384   -0.000276821
     92        1           0.001027207    0.001045611    0.000466652
     93        1          -0.000432475   -0.000070325    0.000595628
     94        1          -0.000020651    0.000259823    0.000585711
     95        1           0.001420169   -0.000381731    0.000473802
     96        1           0.001098346   -0.001027509   -0.000262901
     97        1          -0.000411848   -0.000048518   -0.000555623
     98        1           0.000515229   -0.000089683   -0.000458063
     99        1          -0.000984815   -0.001199290   -0.000168592
    100        1          -0.001502305   -0.000392945    0.000267340
    101        1           0.000428830    0.000740982    0.000675710
    102        1           0.000050592    0.000449367   -0.000154778
    103        1           0.000320577   -0.000450730   -0.000215437
    104        1           0.000129151   -0.000454750    0.000176903
    105        1          -0.000709105    0.000381085   -0.001188883
    106        1          -0.000065794   -0.000839504    0.001229121
    107        1          -0.000355203    0.000363368   -0.000170484
    108        1          -0.000273132    0.000492184    0.000228895
    109        1           0.000413836   -0.000160736    0.000173701
    110        1           0.000416185    0.000169236   -0.000169588
    111        1          -0.000241017   -0.000519345   -0.000184424
    112        1          -0.000340677   -0.000338963    0.000197530
    113        1          -0.000060780    0.000729110   -0.001282182
    114        1          -0.000751828   -0.000294416    0.001253324
    115        1           0.000134766    0.000459420   -0.000211079
    116        1           0.000290522    0.000494869    0.000194828
    117        1           0.000066011   -0.000428328    0.000207799
    118        1          -0.000079803   -0.000380208    0.000282281
    119        1          -0.000353868    0.000493169    0.000023848
    120        1          -0.000122314    0.000399062   -0.000327764
    121        1           0.000505114    0.000076335    0.001401139
    122        1           0.000243109    0.000439641   -0.001347556
    123        1           0.000313414   -0.000249372    0.000324740
    124        1           0.000298901   -0.000515654   -0.000016043
    125        1          -0.000385018    0.000086456   -0.000276392
    126       17           0.004307088   -0.000653663    0.005886115
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.011433056 RMS     0.002388877

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.013668668 RMS     0.001412737
 Search for a local minimum.
 Step number   7 out of a maximum of  756
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- RFO/linear search
 Update second derivatives using D2CorX and points    6    7
 DE= -1.11D-02 DEPred=-7.95D-03 R= 1.39D+00
 TightC=F SS=  1.41D+00  RLast= 9.57D-01 DXNew= 4.0363D+00 2.8711D+00
 Trust test= 1.39D+00 RLast= 9.57D-01 DXMaxT set to 2.87D+00
 ITU=  1  1  1  1  0  1  0
 Use linear search instead of GDIIS.
     Eigenvalues ---    0.00133   0.02329   0.02576   0.02593   0.02672
     Eigenvalues ---    0.02678   0.02689   0.02692   0.02696   0.02702
     Eigenvalues ---    0.02706   0.02706   0.02707   0.02715   0.02717
     Eigenvalues ---    0.02720   0.02726   0.02740   0.02744   0.02755
     Eigenvalues ---    0.02763   0.02766   0.02768   0.02768   0.02769
     Eigenvalues ---    0.02773   0.02786   0.02786   0.02786   0.02790
     Eigenvalues ---    0.02791   0.02792   0.02792   0.02793   0.02793
     Eigenvalues ---    0.02793   0.02793   0.02793   0.02800   0.02801
     Eigenvalues ---    0.02801   0.02801   0.02801   0.02802   0.02807
     Eigenvalues ---    0.02808   0.02808   0.02808   0.02809   0.02809
     Eigenvalues ---    0.02816   0.02818   0.02818   0.02818   0.02819
     Eigenvalues ---    0.02819   0.02820   0.02829   0.02834   0.02836
     Eigenvalues ---    0.02837   0.02845   0.02845   0.02845   0.02845
     Eigenvalues ---    0.02845   0.02845   0.02848   0.02855   0.02860
     Eigenvalues ---    0.02861   0.02864   0.02868   0.02869   0.02869
     Eigenvalues ---    0.02872   0.02872   0.02872   0.02875   0.02876
     Eigenvalues ---    0.02877   0.02877   0.02877   0.02877   0.02884
     Eigenvalues ---    0.02884   0.02884   0.02885   0.02885   0.02885
     Eigenvalues ---    0.02885   0.02886   0.02886   0.02886   0.02893
     Eigenvalues ---    0.02894   0.02895   0.02898   0.02899   0.02901
     Eigenvalues ---    0.02903   0.02903   0.02903   0.02906   0.02911
     Eigenvalues ---    0.02911   0.02919   0.02922   0.02944   0.02944
     Eigenvalues ---    0.02970   0.02983   0.03025   0.03025   0.03025
     Eigenvalues ---    0.03136   0.03136   0.03136   0.03150   0.03151
     Eigenvalues ---    0.03244   0.03677   0.03925   0.05011   0.15422
     Eigenvalues ---    0.15576   0.15922   0.15942   0.15966   0.15976
     Eigenvalues ---    0.15982   0.15985   0.15987   0.15991   0.15993
     Eigenvalues ---    0.15994   0.15997   0.15998   0.15999   0.15999
     Eigenvalues ---    0.15999   0.15999   0.15999   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16004   0.16026   0.16158
     Eigenvalues ---    0.21286   0.22000   0.22000   0.22000   0.22000
     Eigenvalues ---    0.22000   0.22000   0.22001   0.22002   0.22172
     Eigenvalues ---    0.22402   0.22426   0.22551   0.22599   0.22599
     Eigenvalues ---    0.22600   0.22600   0.22600   0.22705   0.22960
     Eigenvalues ---    0.22965   0.22975   0.23421   0.23475   0.23509
     Eigenvalues ---    0.23569   0.23994   0.23999   0.24055   0.24469
     Eigenvalues ---    0.24469   0.24470   0.24480   0.24503   0.24504
     Eigenvalues ---    0.24614   0.24628   0.24686   0.24849   0.24952
     Eigenvalues ---    0.24953   0.24954   0.24956   0.24961   0.24963
     Eigenvalues ---    0.24964   0.24992   0.24996   0.24999   0.25000
     Eigenvalues ---    0.25000   0.25000   0.25000   0.25000   0.25000
     Eigenvalues ---    0.25000   0.25000   0.25005   0.25061   0.26069
     Eigenvalues ---    0.27456   0.33222   0.33248   0.33252   0.33254
     Eigenvalues ---    0.33256   0.33257   0.33292   0.33317   0.33390
     Eigenvalues ---    0.33393   0.33396   0.33399   0.33401   0.33432
     Eigenvalues ---    0.33562   0.33567   0.33570   0.33572   0.33576
     Eigenvalues ---    0.33600   0.33613   0.33626   0.33642   0.33646
     Eigenvalues ---    0.33650   0.33660   0.33685   0.33695   0.33710
     Eigenvalues ---    0.33729   0.33772   0.33813   0.33829   0.33831
     Eigenvalues ---    0.33835   0.33840   0.33897   0.33929   0.33930
     Eigenvalues ---    0.33932   0.33936   0.33940   0.34905   0.34998
     Eigenvalues ---    0.35181   0.38702   0.44433   0.44434   0.44435
     Eigenvalues ---    0.44880   0.45801   0.48145   0.48659   0.48950
     Eigenvalues ---    0.48952   0.49274   0.49336   0.49437   0.49804
     Eigenvalues ---    0.49807   0.49809   0.49915   0.49943   0.49973
     Eigenvalues ---    0.50131   0.50389   0.50392   0.50592   0.50623
     Eigenvalues ---    0.50624   0.50628   0.51862   0.52300   0.52313
     Eigenvalues ---    0.52510   0.52717   0.53881   0.54110   0.54115
     Eigenvalues ---    0.54193   0.54196   0.54197   0.54371   0.54540
     Eigenvalues ---    0.54832   0.55032   0.55182   0.55227   0.55317
     Eigenvalues ---    0.55336   0.55350   0.55368   0.55387   0.55432
     Eigenvalues ---    0.55439   0.55632   0.55710   0.55710   0.55719
     Eigenvalues ---    0.55948   0.55951   0.56031   0.56145   0.56147
     Eigenvalues ---    0.56148   0.56180   0.56280   0.56285   0.56308
     Eigenvalues ---    0.56541   0.56662   0.56664   0.56668   0.56670
     Eigenvalues ---    0.56676   0.56687   0.56738   0.56792   0.56865
     Eigenvalues ---    0.56909   0.56913   0.57148   0.57170   0.57171
     Eigenvalues ---    0.57172   0.57182   0.57183   0.59484   0.61976
     Eigenvalues ---    0.63778   0.66114   0.66118   0.67191   0.67679
     Eigenvalues ---    0.67685   0.67697   0.70106   0.70131   0.70293
     Eigenvalues ---    0.73943   0.76369
 RFO step:  Lambda=-1.43655892D-02 EMin= 1.33408040D-03
 Quartic linear search produced a step of  1.50724.
 Iteration  1 RMS(Cart)=  0.16278705 RMS(Int)=  0.03905249
 Iteration  2 RMS(Cart)=  0.04950867 RMS(Int)=  0.03077666
 Iteration  3 RMS(Cart)=  0.01555281 RMS(Int)=  0.02203822
 Iteration  4 RMS(Cart)=  0.00500920 RMS(Int)=  0.01660703
 Iteration  5 RMS(Cart)=  0.00313592 RMS(Int)=  0.01362741
 Iteration  6 RMS(Cart)=  0.00200913 RMS(Int)=  0.01221350
 Iteration  7 RMS(Cart)=  0.00133662 RMS(Int)=  0.01164857
 Iteration  8 RMS(Cart)=  0.00088865 RMS(Int)=  0.01147545
 Iteration  9 RMS(Cart)=  0.00041400 RMS(Int)=  0.01145499
 Iteration 10 RMS(Cart)=  0.00003953 RMS(Int)=  0.01145499
 Iteration 11 RMS(Cart)=  0.00002178 RMS(Int)=  0.01145499
 Iteration 12 RMS(Cart)=  0.00001215 RMS(Int)=  0.01145499
 Iteration 13 RMS(Cart)=  0.00000678 RMS(Int)=  0.01145499
 Iteration 14 RMS(Cart)=  0.00000378 RMS(Int)=  0.01145499
 Iteration 15 RMS(Cart)=  0.00000211 RMS(Int)=  0.01145499
 Iteration 16 RMS(Cart)=  0.00000118 RMS(Int)=  0.01145499
 Iteration 17 RMS(Cart)=  0.00000066 RMS(Int)=  0.01145499
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        2.63882   0.00073  -0.00635  -0.00014  -0.00655   2.63227
    R2        2.66733   0.00078  -0.00325   0.00003  -0.00328   2.66405
    R3        2.83443  -0.00724   0.00444  -0.01659  -0.01215   2.82228
    R4        2.65727   0.00047   0.00053   0.00017   0.00069   2.65795
    R5        2.04009   0.00090   0.00448   0.00310   0.00758   2.04767
    R6        2.66302   0.00231  -0.00963   0.00126  -0.00920   2.65382
    R7        2.80120  -0.00447  -0.00078  -0.01203  -0.01387   2.78733
    R8        2.65834   0.00052   0.00149   0.00040   0.00196   2.66030
    R9        2.76542  -0.00238  -0.00004  -0.00643  -0.00634   2.75908
   R10        2.60260   0.00225  -0.00180   0.00359   0.00181   2.60441
   R11        2.04881  -0.00048   0.00010  -0.00114  -0.00104   2.04776
   R12        2.04707   0.00048   0.00183   0.00202   0.00385   2.05092
   R13        2.68590   0.00431  -0.00246   0.00821   0.00575   2.69165
   R14        2.64712   0.00030  -0.00278  -0.00031  -0.00317   2.64396
   R15        2.72222   0.00428   0.00491   0.00978   0.01563   2.73785
   R16        2.66895   0.00118   0.00354   0.00202   0.00579   2.67474
   R17        2.71220   0.00534   0.00717   0.01277   0.02100   2.73319
   R18        2.54870   0.00360   0.00028   0.00681   0.01170   2.56040
   R19        2.50188   0.00131  -0.00938   0.00011  -0.01400   2.48788
   R20        2.64337   0.00102  -0.00342   0.00038  -0.00328   2.64009
   R21        2.04001   0.00079   0.00462   0.00277   0.00739   2.04741
   R22        2.66335  -0.00025  -0.00746  -0.00302  -0.01065   2.65271
   R23        2.82902  -0.00684   0.00489  -0.01562  -0.01073   2.81829
   R24        2.60395   0.00250   0.00388   0.00451   0.00845   2.61240
   R25        2.04524   0.00072   0.00174   0.00286   0.00460   2.04985
   R26        2.04917   0.00206   0.00320   0.00775   0.01096   2.06012
   R27        2.57899  -0.00066  -0.00254  -0.00250  -0.00024   2.57875
   R28        1.93839   0.00706   0.03371   0.03128   0.23792   2.17631
   R29        5.56837   0.00507   0.11416   0.08294   0.02224   5.59062
   R30        2.67922   0.00144  -0.00764  -0.00063  -0.00739   2.67183
   R31        2.65502   0.00244   0.00308   0.00429   0.00817   2.66319
   R32        2.56575  -0.00316  -0.00360  -0.00706  -0.01550   2.55025
   R33        2.67271   0.00002  -0.00177  -0.00125  -0.00289   2.66982
   R34        2.59448   0.00164  -0.00117   0.00264   0.00131   2.59579
   R35        2.04937   0.00006  -0.00059   0.00059  -0.00000   2.04937
   R36        2.70746  -0.00027  -0.00190  -0.00189  -0.00473   2.70273
   R37        2.04424   0.00043   0.00055   0.00173   0.00229   2.04652
   R38        2.61772   0.00182  -0.00382   0.00257  -0.00207   2.61564
   R39        2.83437  -0.00593   0.00742  -0.01329  -0.00587   2.82850
   R40        2.04517   0.00009   0.00182   0.00067   0.00249   2.04766
   R41        2.65650   0.00053  -0.00385  -0.00059  -0.00446   2.65204
   R42        2.65670   0.00089  -0.00340   0.00020  -0.00322   2.65348
   R43        2.65772   0.00050  -0.00398  -0.00067  -0.00467   2.65305
   R44        2.65759   0.00089  -0.00363   0.00017  -0.00348   2.65410
   R45        2.65623   0.00098  -0.00311   0.00044  -0.00270   2.65353
   R46        2.65905   0.00100  -0.00229   0.00059  -0.00173   2.65731
   R47        2.62513   0.00124   0.00165   0.00189   0.00355   2.62867
   R48        2.04786   0.00030   0.00104   0.00138   0.00242   2.05028
   R49        2.64175   0.00219  -0.00653   0.00289  -0.00362   2.63813
   R50        2.05061  -0.00035   0.00031  -0.00088  -0.00056   2.05005
   R51        2.64245   0.00217  -0.00678   0.00283  -0.00393   2.63852
   R52        2.68285  -0.00217   0.00762  -0.00391   0.00371   2.68655
   R53        2.62402   0.00134   0.00161   0.00213   0.00374   2.62776
   R54        2.05072  -0.00034   0.00024  -0.00085  -0.00061   2.05011
   R55        2.04909   0.00013   0.00216   0.00090   0.00306   2.05215
   R56        2.62608   0.00120   0.00132   0.00176   0.00309   2.62917
   R57        2.04845   0.00028   0.00136   0.00133   0.00269   2.05114
   R58        2.64058   0.00230  -0.00650   0.00312  -0.00336   2.63722
   R59        2.05080  -0.00037   0.00042  -0.00093  -0.00051   2.05029
   R60        2.64168   0.00221  -0.00637   0.00297  -0.00337   2.63830
   R61        2.68514  -0.00248   0.00701  -0.00449   0.00252   2.68766
   R62        2.62489   0.00130   0.00123   0.00200   0.00323   2.62812
   R63        2.05077  -0.00035   0.00008  -0.00089  -0.00080   2.04997
   R64        2.04890   0.00016   0.00190   0.00097   0.00287   2.05177
   R65        2.62672   0.00105   0.00141   0.00148   0.00289   2.62962
   R66        2.04698   0.00012   0.00011   0.00069   0.00079   2.04778
   R67        2.63942   0.00211  -0.00735   0.00262  -0.00470   2.63472
   R68        2.05052  -0.00035   0.00031  -0.00087  -0.00057   2.04995
   R69        2.64299   0.00204  -0.00684   0.00253  -0.00427   2.63872
   R70        2.68303  -0.00246   0.00672  -0.00448   0.00224   2.68527
   R71        2.62270   0.00118   0.00097   0.00171   0.00268   2.62538
   R72        2.05063  -0.00035   0.00028  -0.00087  -0.00059   2.05004
   R73        2.04770  -0.00003   0.00092   0.00022   0.00114   2.04885
   R74        2.66157  -0.00449  -0.01420  -0.01104  -0.02518   2.63639
   R75        2.66201  -0.00452  -0.01455  -0.01112  -0.02561   2.63640
   R76        2.66307  -0.00463  -0.01451  -0.01131  -0.02576   2.63731
   R77        2.66313  -0.00480  -0.01451  -0.01162  -0.02607   2.63706
   R78        2.66318  -0.00461  -0.01423  -0.01125  -0.02542   2.63776
   R79        2.66278  -0.00452  -0.01412  -0.01108  -0.02513   2.63764
   R80        2.67327   0.00162  -0.00337   0.00217  -0.00121   2.67206
   R81        2.63607   0.00197  -0.00405   0.00279  -0.00123   2.63484
   R82        2.73875  -0.00103  -0.00399  -0.00341  -0.00748   2.73127
   R83        2.64488   0.00047   0.00142   0.00023   0.00163   2.64651
   R84        2.67314   0.00167  -0.00324   0.00227  -0.00098   2.67216
   R85        2.64494   0.00044   0.00143   0.00017   0.00157   2.64652
   R86        2.63617   0.00194  -0.00388   0.00274  -0.00111   2.63506
   R87        2.67372   0.00157  -0.00334   0.00204  -0.00130   2.67242
   R88        2.63631   0.00191  -0.00399   0.00266  -0.00129   2.63502
   R89        2.73848  -0.00095  -0.00379  -0.00328  -0.00715   2.73133
   R90        2.64500   0.00046   0.00141   0.00019   0.00157   2.64657
   R91        2.67349   0.00162  -0.00356   0.00213  -0.00144   2.67205
   R92        2.64508   0.00045   0.00135   0.00017   0.00150   2.64658
   R93        2.63619   0.00195  -0.00425   0.00273  -0.00148   2.63471
   R94        2.67308   0.00164  -0.00349   0.00217  -0.00133   2.67174
   R95        2.63610   0.00192  -0.00414   0.00268  -0.00143   2.63467
   R96        2.73875  -0.00098  -0.00379  -0.00332  -0.00719   2.73156
   R97        2.64500   0.00044   0.00137   0.00015   0.00150   2.64649
   R98        2.67338   0.00158  -0.00348   0.00206  -0.00143   2.67195
   R99        2.64486   0.00047   0.00137   0.00021   0.00155   2.64641
   R100       2.63607   0.00193  -0.00415   0.00270  -0.00141   2.63465
   R101       2.62782   0.00098  -0.00119   0.00083  -0.00039   2.62742
   R102       2.05381  -0.00037  -0.00019  -0.00082  -0.00102   2.05279
   R103       2.65194   0.00153   0.00001   0.00178   0.00178   2.65372
   R104       2.05211  -0.00022   0.00038  -0.00028   0.00010   2.05222
   R105       2.63257   0.00037  -0.00237  -0.00045  -0.00279   2.62978
   R106       2.05365  -0.00048  -0.00075  -0.00114  -0.00189   2.05176
   R107       2.04919  -0.00007   0.00112   0.00004   0.00116   2.05035
   R108       2.63255   0.00035  -0.00241  -0.00050  -0.00289   2.62967
   R109       2.04918  -0.00009   0.00126  -0.00001   0.00125   2.05043
   R110       2.65196   0.00154   0.00008   0.00180   0.00186   2.65383
   R111       2.05365  -0.00050  -0.00082  -0.00122  -0.00204   2.05161
   R112       2.62781   0.00095  -0.00115   0.00075  -0.00042   2.62738
   R113       2.05212  -0.00022   0.00036  -0.00029   0.00006   2.05219
   R114       2.05382  -0.00037  -0.00015  -0.00082  -0.00097   2.05285
   R115       2.62772   0.00097  -0.00103   0.00082  -0.00025   2.62747
   R116       2.05382  -0.00037  -0.00023  -0.00083  -0.00105   2.05276
   R117       2.65218   0.00150   0.00002   0.00170   0.00172   2.65390
   R118       2.05211  -0.00022   0.00034  -0.00029   0.00006   2.05217
   R119       2.63241   0.00039  -0.00232  -0.00039  -0.00270   2.62972
   R120       2.05368  -0.00049  -0.00080  -0.00119  -0.00199   2.05169
   R121       2.04932  -0.00011   0.00141  -0.00006   0.00136   2.05068
   R122       2.63243   0.00039  -0.00235  -0.00040  -0.00273   2.62970
   R123       2.04928  -0.00007   0.00109   0.00003   0.00112   2.05041
   R124       2.65211   0.00151  -0.00004   0.00173   0.00167   2.65379
   R125       2.05371  -0.00049  -0.00082  -0.00120  -0.00202   2.05169
   R126       2.62779   0.00096  -0.00118   0.00079  -0.00042   2.62737
   R127       2.05209  -0.00022   0.00035  -0.00029   0.00006   2.05216
   R128       2.05383  -0.00037  -0.00021  -0.00083  -0.00104   2.05279
   R129       2.62784   0.00096  -0.00111   0.00079  -0.00036   2.62748
   R130       2.05380  -0.00037  -0.00021  -0.00083  -0.00104   2.05276
   R131       2.65192   0.00152   0.00000   0.00175   0.00173   2.65365
   R132       2.05209  -0.00022   0.00033  -0.00029   0.00004   2.05213
   R133       2.63258   0.00037  -0.00233  -0.00044  -0.00275   2.62983
   R134       2.05366  -0.00049  -0.00083  -0.00121  -0.00205   2.05161
   R135       2.04925  -0.00009   0.00124  -0.00000   0.00124   2.05049
   R136       2.63252   0.00039  -0.00229  -0.00040  -0.00266   2.62986
   R137       2.04925  -0.00009   0.00124  -0.00001   0.00123   2.05048
   R138       2.65202   0.00150  -0.00002   0.00171   0.00168   2.65371
   R139       2.05360  -0.00048  -0.00081  -0.00118  -0.00198   2.05162
   R140       2.62774   0.00098  -0.00111   0.00083  -0.00030   2.62744
   R141       2.05208  -0.00022   0.00034  -0.00028   0.00006   2.05214
   R142       2.05379  -0.00037  -0.00023  -0.00083  -0.00106   2.05273
   R143       4.17507  -0.00759  -0.75853  -0.16011  -0.74344   3.43163
    A1        2.05537  -0.00008   0.00619  -0.00049   0.00559   2.06096
    A2        2.11420   0.00035  -0.00491   0.00163  -0.00323   2.11096
    A3        2.11362  -0.00027  -0.00128  -0.00113  -0.00236   2.11126
    A4        2.13994   0.00069  -0.00317   0.00239  -0.00091   2.13903
    A5        2.07185  -0.00110  -0.00153  -0.00669  -0.00826   2.06358
    A6        2.07087   0.00040   0.00434   0.00417   0.00848   2.07934
    A7        2.06224  -0.00033  -0.00111  -0.00122  -0.00198   2.06026
    A8        2.13063   0.00029   0.00079   0.00350   0.00458   2.13521
    A9        2.09006   0.00005   0.00026  -0.00192  -0.00238   2.08767
   A10        2.08849  -0.00023   0.00433  -0.00051   0.00360   2.09208
   A11        2.10346   0.00013  -0.00282  -0.00065  -0.00314   2.10033
   A12        2.09097   0.00009  -0.00178   0.00109  -0.00103   2.08995
   A13        2.11072   0.00019  -0.00268   0.00114  -0.00145   2.10927
   A14        2.04892   0.00172   0.00464   0.01132   0.01591   2.06483
   A15        2.12355  -0.00192  -0.00196  -0.01246  -0.01447   2.10908
   A16        2.10949  -0.00025  -0.00365  -0.00135  -0.00504   2.10445
   A17        2.09238   0.00078   0.00064   0.00443   0.00506   2.09745
   A18        2.08096  -0.00053   0.00282  -0.00307  -0.00026   2.08070
   A19        2.09629   0.00167   0.00393   0.00728   0.01110   2.10739
   A20        2.12243  -0.00173  -0.00640  -0.00876  -0.01540   2.10703
   A21        2.06402   0.00006   0.00229   0.00172   0.00434   2.06836
   A22        2.07622  -0.00025  -0.00183   0.00217   0.00200   2.07822
   A23        2.08118  -0.00164   0.00339  -0.00691  -0.00406   2.07712
   A24        2.12439   0.00195  -0.00155   0.00631   0.00319   2.12758
   A25        2.12592  -0.00398  -0.01004  -0.01566  -0.02887   2.09705
   A26        2.12733   0.00581   0.01583   0.02442   0.03273   2.16006
   A27        2.02991  -0.00184  -0.00577  -0.00892  -0.00536   2.02455
   A28        2.06724   0.00247   0.00571   0.01282   0.01967   2.08691
   A29        2.07553  -0.00254  -0.00787  -0.01547  -0.02603   2.04950
   A30        2.13994   0.00008   0.00192   0.00263   0.00597   2.14591
   A31        2.14171   0.00102  -0.00568   0.00442  -0.00133   2.14039
   A32        2.06868   0.00025   0.00694   0.00350   0.01044   2.07912
   A33        2.07102  -0.00125  -0.00198  -0.00742  -0.00940   2.06161
   A34        2.05374  -0.00042   0.00525  -0.00327   0.00181   2.05555
   A35        2.11228   0.00037  -0.00827   0.00214  -0.00606   2.10622
   A36        2.11701   0.00005   0.00300   0.00125   0.00433   2.12134
   A37        2.11704   0.00033   0.00305   0.00138   0.00453   2.12157
   A38        2.09738   0.00070   0.00191   0.00492   0.00670   2.10408
   A39        2.06875  -0.00103  -0.00498  -0.00634  -0.01145   2.05730
   A40        2.10642   0.00072  -0.00950   0.00448  -0.00500   2.10142
   A41        2.10011   0.00038  -0.00196   0.00278  -0.00001   2.10011
   A42        2.07173  -0.00106   0.00715  -0.00581   0.00049   2.07221
   A43        2.14996  -0.00121  -0.00632   0.00004  -0.02588   2.12408
   A44        2.07347   0.00222  -0.00069   0.00941   0.02300   2.09647
   A45        1.94293   0.01367   0.17887   0.11460   0.24482   2.18776
   A46        2.03408  -0.00102  -0.02482  -0.01585  -0.07494   1.95914
   A47        1.83226  -0.00856   0.07011  -0.02508   0.02845   1.86070
   A48        2.04789   0.00284   0.00998   0.01066   0.03107   2.07896
   A49        2.12903  -0.00160  -0.00897  -0.00602  -0.02246   2.10657
   A50        2.10627  -0.00123  -0.00101  -0.00462  -0.00867   2.09760
   A51        2.11645  -0.00101  -0.00679  -0.00834  -0.01422   2.10223
   A52        2.07280   0.00094   0.00557   0.00536   0.01220   2.08500
   A53        2.09369   0.00007   0.00126   0.00312   0.00220   2.09589
   A54        2.07856   0.00124   0.00320   0.00633   0.00569   2.08425
   A55        2.07358  -0.00001  -0.00339  -0.00050  -0.00210   2.07148
   A56        2.08221   0.00006  -0.00615  -0.00033  -0.00747   2.07473
   A57        2.12534  -0.00005   0.00844   0.00105   0.00851   2.13385
   A58        2.13949   0.00056   0.00130   0.00295   0.00432   2.14381
   A59        2.06273  -0.00142  -0.00417  -0.00890  -0.01315   2.04958
   A60        2.08095   0.00087   0.00292   0.00598   0.00883   2.08978
   A61        2.05305  -0.00029   0.00226  -0.00197  -0.00038   2.05267
   A62        2.10656   0.00001   0.00204   0.00046   0.00283   2.10939
   A63        2.12356   0.00029  -0.00432   0.00151  -0.00247   2.12109
   A64        2.12108   0.00005  -0.00484  -0.00125  -0.00563   2.11545
   A65        2.02223   0.00003   0.00181   0.00098   0.00256   2.02479
   A66        2.13973  -0.00007   0.00296   0.00024   0.00293   2.14266
   A67        2.11655  -0.00070  -0.00461  -0.00295  -0.00759   2.10896
   A68        2.11712   0.00072  -0.01104   0.00266  -0.00840   2.10872
   A69        2.04951  -0.00001   0.01565   0.00029   0.01599   2.06550
   A70        2.11776  -0.00080  -0.00341  -0.00335  -0.00679   2.11097
   A71        2.11517   0.00079  -0.01220   0.00293  -0.00930   2.10588
   A72        2.05025   0.00001   0.01562   0.00042   0.01608   2.06633
   A73        2.12535  -0.00065  -0.00286  -0.00266  -0.00553   2.11982
   A74        2.11028   0.00131  -0.00828   0.00556  -0.00273   2.10756
   A75        2.04755  -0.00065   0.01114  -0.00290   0.00826   2.05581
   A76        2.12021  -0.00003  -0.01128  -0.00145  -0.01267   2.10754
   A77        2.09417   0.00026   0.00002   0.00153   0.00148   2.09564
   A78        2.06780  -0.00023   0.01084  -0.00013   0.01064   2.07843
   A79        2.09303   0.00119  -0.00176   0.00593   0.00398   2.09702
   A80        2.11490  -0.00211   0.01065  -0.01199  -0.00171   2.11319
   A81        2.07521   0.00092  -0.00812   0.00600  -0.00248   2.07273
   A82        2.08891  -0.00220   0.01016  -0.00899   0.00129   2.09021
   A83        2.09833   0.00106  -0.00545   0.00430  -0.00121   2.09712
   A84        2.09594   0.00114  -0.00472   0.00470  -0.00008   2.09586
   A85        2.09133   0.00116  -0.00354   0.00584   0.00216   2.09349
   A86        2.07460   0.00093  -0.00774   0.00597  -0.00208   2.07252
   A87        2.11722  -0.00208   0.01198  -0.01188  -0.00021   2.11700
   A88        2.12231  -0.00012  -0.00948  -0.00164  -0.01111   2.11120
   A89        2.09059   0.00057  -0.00315   0.00321  -0.00002   2.09057
   A90        2.06930  -0.00046   0.01214  -0.00172   0.01032   2.07962
   A91        2.12141  -0.00000  -0.01062  -0.00131  -0.01191   2.10951
   A92        2.09300   0.00028  -0.00015   0.00165   0.00142   2.09443
   A93        2.06800  -0.00028   0.01039  -0.00047   0.00983   2.07783
   A94        2.09234   0.00120  -0.00242   0.00600   0.00342   2.09576
   A95        2.11595  -0.00211   0.01158  -0.01194  -0.00069   2.11525
   A96        2.07488   0.00090  -0.00854   0.00590  -0.00296   2.07192
   A97        2.08878  -0.00227   0.01025  -0.00928   0.00110   2.08988
   A98        2.09753   0.00113  -0.00619   0.00456  -0.00170   2.09583
   A99        2.09687   0.00114  -0.00406   0.00472   0.00060   2.09747
   A100       2.09179   0.00120  -0.00301   0.00606   0.00288   2.09467
   A101       2.07464   0.00090  -0.00792   0.00585  -0.00241   2.07223
   A102       2.11671  -0.00210   0.01171  -0.01198  -0.00061   2.11610
   A103       2.12222  -0.00010  -0.01011  -0.00163  -0.01170   2.11052
   A104       2.09080   0.00056  -0.00238   0.00324   0.00080   2.09159
   A105       2.06912  -0.00046   0.01206  -0.00171   0.01027   2.07939
   A106       2.12199   0.00031  -0.00824   0.00053  -0.00766   2.11433
   A107       2.10174   0.00036   0.00265   0.00272   0.00533   2.10707
   A108       2.05900  -0.00067   0.00544  -0.00336   0.00203   2.06103
   A109       2.09333   0.00125  -0.00176   0.00616   0.00421   2.09754
   A110       2.11438  -0.00217   0.01053  -0.01235  -0.00223   2.11216
   A111       2.07546   0.00092  -0.00809   0.00616  -0.00233   2.07313
   A112       2.08752  -0.00240   0.00866  -0.01025  -0.00143   2.08609
   A113       2.09894   0.00117  -0.00460   0.00501   0.00033   2.09926
   A114       2.09673   0.00123  -0.00406   0.00525   0.00110   2.09783
   A115       2.09231   0.00131  -0.00263   0.00646   0.00366   2.09597
   A116       2.07472   0.00089  -0.00824   0.00599  -0.00258   2.07213
   A117       2.11616  -0.00220   0.01142  -0.01247  -0.00140   2.11476
   A118       2.12337   0.00020  -0.00745   0.00011  -0.00730   2.11606
   A119       2.09348   0.00076   0.00037   0.00509   0.00541   2.09889
   A120       2.06607  -0.00096   0.00695  -0.00533   0.00157   2.06764
   A121       2.19938  -0.00094  -0.00022  -0.00232  -0.00267   2.19671
   A122       2.19933  -0.00085  -0.00239  -0.00206  -0.00458   2.19475
   A123       1.88448   0.00180   0.00261   0.00438   0.00725   1.89172
   A124       2.19961  -0.00090  -0.00184  -0.00217  -0.00413   2.19548
   A125       2.19954  -0.00096  -0.00052  -0.00236  -0.00300   2.19654
   A126       1.88403   0.00186   0.00236   0.00453   0.00713   1.89116
   A127       2.19902  -0.00090  -0.00143  -0.00219  -0.00374   2.19528
   A128       2.19976  -0.00092  -0.00121  -0.00225  -0.00359   2.19617
   A129       1.88441   0.00181   0.00264   0.00444   0.00732   1.89173
   A130       1.90171  -0.00003   0.00158  -0.00045   0.00093   1.90264
   A131       2.24446   0.00221  -0.00959   0.00937  -0.00067   2.24379
   A132       2.13576  -0.00217   0.00999  -0.00856   0.00094   2.13670
   A133       1.86864  -0.00091  -0.00275  -0.00182  -0.00449   1.86415
   A134       2.07610   0.00162  -0.00813   0.00601  -0.00224   2.07386
   A135       2.33819  -0.00071   0.01076  -0.00415   0.00664   2.34482
   A136       1.86856  -0.00091  -0.00266  -0.00182  -0.00441   1.86416
   A137       2.33829  -0.00070   0.01064  -0.00409   0.00657   2.34487
   A138       2.07604   0.00161  -0.00808   0.00595  -0.00225   2.07380
   A139       1.90180  -0.00001   0.00147  -0.00041   0.00086   1.90266
   A140       2.24435   0.00221  -0.00916   0.00943  -0.00017   2.24417
   A141       2.13578  -0.00219   0.00967  -0.00866   0.00052   2.13630
   A142       1.90184  -0.00002   0.00118  -0.00041   0.00055   1.90239
   A143       2.24454   0.00218  -0.00908   0.00927  -0.00028   2.24426
   A144       2.13563  -0.00214   0.00990  -0.00851   0.00088   2.13651
   A145       1.86830  -0.00087  -0.00256  -0.00176  -0.00424   1.86405
   A146       2.07594   0.00161  -0.00820   0.00597  -0.00235   2.07359
   A147       2.33869  -0.00073   0.01066  -0.00417   0.00651   2.34520
   A148       1.86836  -0.00087  -0.00265  -0.00175  -0.00432   1.86404
   A149       2.33864  -0.00074   0.01097  -0.00420   0.00679   2.34543
   A150       2.07591   0.00161  -0.00843   0.00600  -0.00255   2.07336
   A151       1.90178  -0.00003   0.00142  -0.00043   0.00078   1.90256
   A152       2.24428   0.00223  -0.00981   0.00943  -0.00085   2.24343
   A153       2.13593  -0.00218   0.01037  -0.00864   0.00122   2.13715
   A154       1.90151  -0.00002   0.00122  -0.00045   0.00057   1.90208
   A155       2.24430   0.00221  -0.00939   0.00941  -0.00042   2.24388
   A156       2.13612  -0.00217   0.01016  -0.00860   0.00106   2.13718
   A157       1.86867  -0.00088  -0.00253  -0.00176  -0.00421   1.86447
   A158       2.07592   0.00161  -0.00832   0.00597  -0.00246   2.07346
   A159       2.33830  -0.00072   0.01073  -0.00417   0.00658   2.34489
   A160       1.86867  -0.00088  -0.00253  -0.00176  -0.00422   1.86446
   A161       2.33828  -0.00072   0.01070  -0.00417   0.00655   2.34483
   A162       2.07598   0.00161  -0.00828   0.00597  -0.00242   2.07356
   A163       1.90148  -0.00002   0.00119  -0.00044   0.00055   1.90203
   A164       2.24472   0.00219  -0.00938   0.00931  -0.00053   2.24418
   A165       2.13576  -0.00215   0.01019  -0.00851   0.00117   2.13693
   A166       2.08081  -0.00023   0.00062  -0.00066  -0.00018   2.08062
   A167       2.09830   0.00041   0.00444   0.00263   0.00714   2.10544
   A168       2.10405  -0.00018  -0.00502  -0.00196  -0.00692   2.09712
   A169       2.10831  -0.00043   0.00507  -0.00184   0.00308   2.11139
   A170       2.09098   0.00004  -0.00305  -0.00024  -0.00325   2.08774
   A171       2.08388   0.00039  -0.00202   0.00210   0.00012   2.08400
   A172       2.11736   0.00018  -0.00526   0.00004  -0.00530   2.11206
   A173       2.08501  -0.00010  -0.00343  -0.00065  -0.00404   2.08096
   A174       2.08082  -0.00008   0.00869   0.00062   0.00934   2.09016
   A175       2.04784   0.00106  -0.00089   0.00523   0.00422   2.05206
   A176       2.10738   0.00088  -0.00911   0.00578  -0.00341   2.10397
   A177       2.12797  -0.00194   0.01011  -0.01100  -0.00098   2.12698
   A178       2.04780   0.00103  -0.00114   0.00504   0.00378   2.05158
   A179       2.10755   0.00093  -0.00899   0.00615  -0.00292   2.10463
   A180       2.12782  -0.00196   0.01016  -0.01117  -0.00110   2.12672
   A181       2.11745   0.00020  -0.00522   0.00013  -0.00516   2.11228
   A182       2.08064  -0.00010   0.00849   0.00048   0.00899   2.08963
   A183       2.08508  -0.00010  -0.00326  -0.00058  -0.00381   2.08127
   A184       2.10827  -0.00041   0.00517  -0.00177   0.00326   2.11153
   A185       2.08394   0.00038  -0.00210   0.00205  -0.00001   2.08392
   A186       2.09096   0.00003  -0.00309  -0.00025  -0.00330   2.08766
   A187       2.08078  -0.00026   0.00044  -0.00081  -0.00052   2.08026
   A188       2.09831   0.00042   0.00451   0.00272   0.00730   2.10561
   A189       2.10407  -0.00016  -0.00492  -0.00190  -0.00675   2.09732
   A190       2.08079  -0.00023   0.00051  -0.00072  -0.00035   2.08044
   A191       2.09832   0.00041   0.00446   0.00269   0.00720   2.10552
   A192       2.10405  -0.00018  -0.00492  -0.00196  -0.00682   2.09723
   A193       2.10835  -0.00042   0.00529  -0.00182   0.00332   2.11168
   A194       2.09099   0.00003  -0.00314  -0.00027  -0.00337   2.08763
   A195       2.08383   0.00040  -0.00216   0.00211  -0.00001   2.08382
   A196       2.11746   0.00018  -0.00544   0.00005  -0.00546   2.11200
   A197       2.08496  -0.00010  -0.00327  -0.00063  -0.00387   2.08108
   A198       2.08076  -0.00008   0.00871   0.00060   0.00935   2.09010
   A199       2.04771   0.00105  -0.00119   0.00518   0.00386   2.05158
   A200       2.10719   0.00091  -0.00918   0.00601  -0.00326   2.10393
   A201       2.12828  -0.00196   0.01045  -0.01117  -0.00081   2.12747
   A202       2.04799   0.00103  -0.00100   0.00509   0.00397   2.05196
   A203       2.10674   0.00093  -0.00880   0.00617  -0.00273   2.10401
   A204       2.12845  -0.00197   0.00987  -0.01124  -0.00146   2.12699
   A205       2.11737   0.00018  -0.00535   0.00005  -0.00537   2.11200
   A206       2.08102  -0.00009   0.00874   0.00053   0.00929   2.09031
   A207       2.08479  -0.00009  -0.00339  -0.00055  -0.00391   2.08088
   A208       2.10830  -0.00042   0.00521  -0.00178   0.00328   2.11158
   A209       2.08387   0.00039  -0.00214   0.00207  -0.00003   2.08385
   A210       2.09100   0.00003  -0.00309  -0.00026  -0.00331   2.08769
   A211       2.08094  -0.00025   0.00054  -0.00077  -0.00037   2.08057
   A212       2.09825   0.00042   0.00457   0.00273   0.00736   2.10561
   A213       2.10397  -0.00017  -0.00507  -0.00195  -0.00696   2.09701
   A214       2.08088  -0.00025   0.00046  -0.00078  -0.00046   2.08042
   A215       2.09824   0.00042   0.00453   0.00272   0.00731   2.10555
   A216       2.10404  -0.00017  -0.00496  -0.00193  -0.00683   2.09721
   A217       2.10830  -0.00042   0.00525  -0.00178   0.00332   2.11162
   A218       2.09096   0.00003  -0.00313  -0.00026  -0.00335   2.08760
   A219       2.08391   0.00039  -0.00214   0.00207  -0.00002   2.08389
   A220       2.11735   0.00018  -0.00533   0.00008  -0.00532   2.11202
   A221       2.08504  -0.00009  -0.00327  -0.00057  -0.00381   2.08123
   A222       2.08079  -0.00009   0.00860   0.00051   0.00914   2.08993
   A223       2.04790   0.00103  -0.00119   0.00507   0.00376   2.05166
   A224       2.10743   0.00093  -0.00888   0.00614  -0.00283   2.10460
   A225       2.12784  -0.00196   0.01011  -0.01118  -0.00116   2.12668
   A226       2.04756   0.00105  -0.00109   0.00517   0.00396   2.05152
   A227       2.10806   0.00088  -0.00899   0.00580  -0.00327   2.10479
   A228       2.12757  -0.00193   0.01018  -0.01097  -0.00087   2.12669
   A229       2.11743   0.00018  -0.00541   0.00003  -0.00545   2.11198
   A230       2.08062  -0.00007   0.00871   0.00062   0.00936   2.08998
   A231       2.08513  -0.00010  -0.00330  -0.00063  -0.00390   2.08123
   A232       2.10841  -0.00042   0.00524  -0.00180   0.00330   2.11171
   A233       2.08382   0.00039  -0.00213   0.00208  -0.00001   2.08381
   A234       2.09095   0.00003  -0.00312  -0.00027  -0.00334   2.08761
   A235       2.08071  -0.00024   0.00054  -0.00072  -0.00032   2.08038
   A236       2.09833   0.00042   0.00446   0.00270   0.00722   2.10554
   A237       2.10412  -0.00018  -0.00496  -0.00196  -0.00686   2.09726
    D1       -0.00071  -0.00011  -0.00064  -0.00371  -0.00442  -0.00514
    D2        3.10530  -0.00026  -0.01438  -0.00824  -0.02269   3.08262
    D3        3.13949  -0.00002   0.00004  -0.00048  -0.00044   3.13905
    D4       -0.03768  -0.00017  -0.01369  -0.00500  -0.01871  -0.05639
    D5       -0.00884  -0.00002  -0.00401   0.00010  -0.00381  -0.01265
    D6        3.10433  -0.00003  -0.01298   0.00053  -0.01240   3.09194
    D7        3.13414  -0.00012  -0.00469  -0.00313  -0.00779   3.12635
    D8       -0.03587  -0.00012  -0.01366  -0.00271  -0.01638  -0.05225
    D9        2.80264  -0.00195  -0.16528  -0.04993  -0.21523   2.58740
   D10       -0.33846  -0.00198  -0.16436  -0.05072  -0.21510  -0.55356
   D11       -0.34039  -0.00186  -0.16457  -0.04659  -0.21113  -0.55153
   D12        2.80170  -0.00188  -0.16365  -0.04737  -0.21100   2.59070
   D13        0.01313   0.00021   0.00589   0.00495   0.01073   0.02386
   D14       -3.10381  -0.00027   0.00855  -0.01160  -0.00345  -3.10725
   D15       -3.09291   0.00039   0.01970   0.00968   0.02949  -3.06342
   D16        0.07334  -0.00009   0.02236  -0.00687   0.01531   0.08865
   D17       -0.01616  -0.00017  -0.00659  -0.00256  -0.00890  -0.02506
   D18        3.10088  -0.00026  -0.02263  -0.00566  -0.02818   3.07270
   D19        3.10137   0.00030  -0.00917   0.01367   0.00498   3.10635
   D20       -0.06478   0.00021  -0.02522   0.01058  -0.01430  -0.07908
   D21       -3.11974   0.00008   0.00816   0.00318   0.01162  -3.10812
   D22        0.05443  -0.00015   0.01533  -0.00562   0.00991   0.06434
   D23        0.04690  -0.00040   0.01088  -0.01364  -0.00279   0.04411
   D24       -3.06213  -0.00063   0.01805  -0.02244  -0.00449  -3.06662
   D25        0.00718   0.00005   0.00216  -0.00085   0.00107   0.00825
   D26       -3.13169   0.00005   0.00170   0.00033   0.00191  -3.12978
   D27       -3.11003   0.00013   0.01810   0.00224   0.02027  -3.08976
   D28        0.03429   0.00014   0.01764   0.00343   0.02111   0.05540
   D29       -0.00961   0.00034   0.00196   0.01387   0.01573   0.00612
   D30       -3.11917   0.00004   0.01045   0.01471   0.02685  -3.09233
   D31        3.10739   0.00024  -0.01406   0.01075  -0.00347   3.10393
   D32       -0.00217  -0.00005  -0.00557   0.01159   0.00765   0.00548
   D33        0.00566   0.00005   0.00328   0.00213   0.00547   0.01114
   D34       -3.10770   0.00003   0.01222   0.00159   0.01389  -3.09381
   D35       -3.13877   0.00005   0.00377   0.00094   0.00466  -3.13411
   D36        0.03106   0.00003   0.01271   0.00040   0.01308   0.04413
   D37        0.04591  -0.00002   0.02680  -0.00798   0.01863   0.06453
   D38       -3.03988  -0.00135   0.02668  -0.03961  -0.01288  -3.05276
   D39       -3.12718   0.00016   0.01973   0.00032   0.01992  -3.10725
   D40        0.07022  -0.00117   0.01961  -0.03130  -0.01159   0.05864
   D41        3.07570   0.00085  -0.01776   0.02572   0.00795   3.08365
   D42       -0.00101   0.00057  -0.00348   0.01690   0.01349   0.01248
   D43       -0.03391   0.00060  -0.01075   0.01697   0.00615  -0.02775
   D44       -3.11062   0.00032   0.00353   0.00815   0.01169  -3.09893
   D45       -0.12380   0.00107  -0.05053   0.03542  -0.01402  -0.13782
   D46        3.00911   0.00055  -0.07991   0.01341  -0.06715   2.94196
   D47        2.96054   0.00231  -0.05024   0.06742   0.01820   2.97874
   D48       -0.18973   0.00179  -0.07962   0.04540  -0.03493  -0.22466
   D49       -0.05446   0.00102  -0.00901   0.02692   0.01775  -0.03671
   D50        2.97927   0.00149  -0.06598   0.04242  -0.02354   2.95573
   D51       -3.13865  -0.00027  -0.00913  -0.00546  -0.01464   3.12990
   D52       -0.10491   0.00020  -0.06611   0.01005  -0.05593  -0.16084
   D53        0.10592  -0.00111   0.03651  -0.03786  -0.00205   0.10388
   D54       -3.06895  -0.00086   0.02754  -0.03907  -0.01440  -3.08335
   D55       -3.02745  -0.00066   0.06447  -0.01717   0.04690  -2.98055
   D56        0.08087  -0.00040   0.05550  -0.01838   0.03454   0.11541
   D57        3.05462   0.00222  -0.03773   0.05560   0.02424   3.07886
   D58        0.16318   0.00241   0.18079   0.08839   0.28393   0.44711
   D59        0.85670   0.00157  -0.30472  -0.03104  -0.36471   0.49200
   D60       -0.09520   0.00171  -0.06554   0.03468  -0.02699  -0.12219
   D61       -2.98665   0.00190   0.15297   0.06747   0.23270  -2.75395
   D62       -2.29312   0.00106  -0.33253  -0.05195  -0.41594  -2.70906
   D63        3.08430  -0.00020  -0.03091  -0.00537  -0.03684   3.04746
   D64       -0.02387  -0.00055  -0.02211  -0.00467  -0.02555  -0.04942
   D65       -0.01949   0.00006  -0.00848   0.00214  -0.00634  -0.02583
   D66        3.14053  -0.00020  -0.00707  -0.00501  -0.01206   3.12847
   D67        3.05714   0.00039  -0.02252   0.01136  -0.01113   3.04602
   D68       -0.06602   0.00012  -0.02111   0.00421  -0.01685  -0.08287
   D69        0.03711  -0.00021   0.01945  -0.00730   0.01224   0.04935
   D70       -3.11001  -0.00060   0.01072  -0.01656  -0.00587  -3.11588
   D71       -3.12297   0.00005   0.01792  -0.00012   0.01790  -3.10507
   D72        0.01310  -0.00034   0.00919  -0.00938  -0.00021   0.01289
   D73        2.80243  -0.00172  -0.16357  -0.04312  -0.20671   2.59572
   D74       -0.33997  -0.00177  -0.16486  -0.04444  -0.20929  -0.54925
   D75       -0.32006  -0.00199  -0.16212  -0.05049  -0.21262  -0.53268
   D76        2.82072  -0.00204  -0.16342  -0.05180  -0.21520   2.60553
   D77       -0.00027  -0.00029  -0.01089  -0.00722  -0.01807  -0.01834
   D78       -3.03574  -0.00084   0.04552  -0.02299   0.02260  -3.01314
   D79       -3.13643   0.00009  -0.00230   0.00186  -0.00048  -3.13691
   D80        0.11129  -0.00046   0.05411  -0.01391   0.04018   0.15147
   D81        0.05376  -0.00177   0.04312  -0.02676   0.01534   0.06911
   D82       -3.09073  -0.00162   0.04564  -0.01599   0.02990  -3.06083
   D83        2.95043  -0.00153  -0.16951  -0.05557  -0.21334   2.73709
   D84       -0.19407  -0.00138  -0.16698  -0.04479  -0.19879  -0.39285
   D85        2.29935   0.00835   0.35396   0.11601   0.44647   2.74582
   D86       -0.84514   0.00849   0.35648   0.12678   0.46102  -0.38412
   D87        0.00888   0.00080  -0.00601   0.00218  -0.00575   0.00312
   D88        3.12663   0.00046  -0.00372   0.00944   0.00587   3.13250
   D89       -3.12985   0.00066  -0.00847  -0.00845  -0.02021   3.13313
   D90       -0.01210   0.00031  -0.00619  -0.00119  -0.00858  -0.02068
   D91       -3.12576  -0.00051   0.00358  -0.01028  -0.00638  -3.13214
   D92        0.08361  -0.00049   0.02326  -0.01400   0.00878   0.09239
   D93        0.01283  -0.00035   0.00622   0.00087   0.00839   0.02122
   D94       -3.06098  -0.00033   0.02589  -0.00285   0.02355  -3.03743
   D95       -0.02190   0.00031  -0.00315   0.01269   0.01074  -0.01115
   D96       -3.13936   0.00064  -0.00552   0.00531  -0.00109  -3.14045
   D97        0.00088  -0.00010  -0.00159  -0.00017  -0.00145  -0.00057
   D98        3.12494   0.00000  -0.00648  -0.00199  -0.00868   3.11625
   D99        3.11895  -0.00045   0.00055   0.00684   0.00991   3.12886
   D100      -0.04018  -0.00035  -0.00434   0.00501   0.00267  -0.03751
   D101      -0.00253   0.00018   0.00135   0.00075   0.00154  -0.00099
   D102      -3.13775  -0.00010  -0.00532  -0.00559  -0.01133   3.13410
   D103       3.06953   0.00017  -0.01932   0.00451  -0.01483   3.05470
   D104      -0.06569  -0.00011  -0.02599  -0.00183  -0.02770  -0.09339
   D105      -0.00828   0.00002  -0.00879  -0.00207  -0.01127  -0.01956
   D106       3.13991  -0.00012  -0.00653  -0.00222  -0.00870   3.13121
   D107       3.12687   0.00029  -0.00209   0.00429   0.00181   3.12868
   D108      -0.00812   0.00015   0.00017   0.00413   0.00439  -0.00374
   D109       0.00896  -0.00006   0.00876   0.00173   0.01101   0.01996
   D110      -3.11390  -0.00016   0.01400   0.00368   0.01875  -3.09515
   D111      -3.13931   0.00008   0.00650   0.00189   0.00843  -3.13087
   D112       0.02102  -0.00003   0.01174   0.00383   0.01618   0.03720
   D113       0.14776   0.00136   0.07802   0.03442   0.11219   0.25995
   D114      -2.99401   0.00138   0.07792   0.03487   0.11254  -2.88147
   D115      -2.98696   0.00122   0.08035   0.03427   0.11486  -2.87210
   D116       0.15446   0.00123   0.08025   0.03472   0.11521   0.26967
   D117      -3.12769  -0.00008   0.00611  -0.00211   0.00401  -3.12369
   D118      -0.02904  -0.00028  -0.00522  -0.00588  -0.01100  -0.04004
   D119       0.01342  -0.00006   0.00522  -0.00135   0.00387   0.01729
   D120       3.11207  -0.00026  -0.00610  -0.00513  -0.01113   3.10093
   D121      -3.13326  -0.00011   0.00508  -0.00258   0.00249  -3.13077
   D122      -0.04172  -0.00023  -0.00561  -0.00487  -0.01038  -0.05209
   D123       0.00881  -0.00013   0.00596  -0.00333   0.00263   0.01144
   D124       3.10036  -0.00026  -0.00472  -0.00562  -0.01024   3.09012
   D125      -3.12969  -0.00009   0.00482  -0.00221   0.00260  -3.12708
   D126      -0.03720  -0.00018  -0.00581  -0.00338  -0.00910  -0.04630
   D127       0.01268  -0.00004   0.00607  -0.00095   0.00513   0.01781
   D128       3.10517  -0.00013  -0.00456  -0.00212  -0.00657   3.09860
   D129      -3.13092  -0.00008   0.00711  -0.00195   0.00515  -3.12577
   D130      -0.03770  -0.00026  -0.00604  -0.00547  -0.01138  -0.04909
   D131       0.00990  -0.00013   0.00587  -0.00321   0.00263   0.01253
   D132       3.10312  -0.00031  -0.00728  -0.00673  -0.01390   3.08921
   D133       3.12979   0.00008  -0.00614   0.00199  -0.00414   3.12566
   D134       0.02142   0.00025  -0.00052   0.00569   0.00514   0.02656
   D135      -0.01163   0.00007  -0.00604   0.00156  -0.00447  -0.01610
   D136      -3.12000   0.00024  -0.00043   0.00526   0.00480  -3.11520
   D137       3.13126   0.00009  -0.00558   0.00223  -0.00333   3.12793
   D138       0.01524   0.00036   0.00061   0.00821   0.00879   0.02402
   D139      -0.01050   0.00010  -0.00567   0.00266  -0.00300  -0.01350
   D140      -3.12652   0.00037   0.00051   0.00864   0.00912  -3.11740
   D141      -0.02359   0.00014  -0.01232   0.00374  -0.00860  -0.03219
   D142       3.10848  -0.00008   0.02729  -0.00223   0.02524   3.13372
   D143      -3.11680   0.00021  -0.00161   0.00485   0.00324  -3.11357
   D144       0.01527  -0.00001   0.03800  -0.00112   0.03707   0.05234
   D145       0.01186  -0.00010   0.00671  -0.00258   0.00421   0.01607
   D146      -3.12753  -0.00009   0.00770  -0.00242   0.00536  -3.12217
   D147      -3.12043   0.00013  -0.03238   0.00335  -0.02885   3.13391
   D148       0.02336   0.00014  -0.03140   0.00351  -0.02770  -0.00434
   D149       0.01021  -0.00005   0.00507  -0.00136   0.00378   0.01399
   D150      -3.12177   0.00024  -0.03149   0.00580  -0.02549   3.13593
   D151      -3.13358  -0.00006   0.00408  -0.00152   0.00264  -3.13095
   D152       0.01763   0.00023  -0.03247   0.00564  -0.02664  -0.00901
   D153       1.00372  -0.00070   0.19628  -0.00690   0.18937   1.19309
   D154      -2.13996  -0.00072   0.19368  -0.00763   0.18605  -1.95391
   D155      -2.13566  -0.00068   0.19725  -0.00673   0.19052  -1.94514
   D156       1.00384  -0.00071   0.19465  -0.00746   0.18720   1.19104
   D157      -0.02132   0.00016  -0.01141   0.00431  -0.00712  -0.02844
   D158      -3.11511   0.00032   0.00191   0.00766   0.00959  -3.10552
   D159       3.11041  -0.00011   0.02566  -0.00292   0.02290   3.13332
   D160       0.01662   0.00004   0.03898   0.00043   0.03961   0.05624
   D161      -0.02285   0.00016  -0.01086   0.00410  -0.00677  -0.02962
   D162       3.11254  -0.00015   0.02762  -0.00373   0.02408   3.13661
   D163      -3.12209   0.00034   0.00051   0.00777   0.00829  -3.11381
   D164       0.01329   0.00003   0.03899  -0.00006   0.03913   0.05242
   D165       0.00993  -0.00009   0.00541  -0.00235   0.00313   0.01306
   D166      -3.12977  -0.00010   0.00632  -0.00257   0.00382  -3.12596
   D167      -3.12560   0.00021  -0.03253   0.00537  -0.02697   3.13062
   D168       0.01788   0.00021  -0.03162   0.00514  -0.02628  -0.00839
   D169       0.01178  -0.00008   0.00563  -0.00210   0.00360   0.01538
   D170      -3.11943   0.00019  -0.03252   0.00485  -0.02746   3.13629
   D171      -3.13169  -0.00007   0.00472  -0.00188   0.00290  -3.12879
   D172       0.02028   0.00020  -0.03343   0.00508  -0.02816  -0.00788
   D173      -2.12693  -0.00064   0.20098  -0.00542   0.19556  -1.93137
   D174       1.01398  -0.00063   0.20062  -0.00522   0.19540   1.20939
   D175       1.01656  -0.00064   0.20189  -0.00563   0.19625   1.21281
   D176      -2.12571  -0.00064   0.20153  -0.00543   0.19610  -1.92962
   D177      -0.02139   0.00018  -0.01138   0.00500  -0.00640  -0.02779
   D178      -3.11353   0.00028  -0.00049   0.00713   0.00664  -3.10689
   D179       3.10957  -0.00007   0.02729  -0.00202   0.02545   3.13502
   D180       0.01743   0.00003   0.03818   0.00011   0.03849   0.05591
   D181       0.02270  -0.00014   0.01228  -0.00375   0.00854   0.03124
   D182      -3.11296   0.00009  -0.02884   0.00256  -0.02645  -3.13941
   D183       3.13187  -0.00028   0.00676  -0.00725  -0.00043   3.13144
   D184      -0.00380  -0.00005  -0.03436  -0.00094  -0.03542  -0.03922
   D185      -0.01158   0.00007  -0.00681   0.00192  -0.00494  -0.01652
   D186       3.12846   0.00007  -0.00697   0.00173  -0.00529   3.12318
   D187       3.12421  -0.00016   0.03374  -0.00431   0.02927  -3.12970
   D188      -0.01893  -0.00017   0.03359  -0.00450   0.02893   0.01000
   D189      -0.01004   0.00008  -0.00472   0.00210  -0.00267  -0.01271
   D190       3.12798  -0.00023   0.03381  -0.00588   0.02776  -3.12744
   D191       3.13310   0.00009  -0.00456   0.00229  -0.00232   3.13078
   D192      -0.01206  -0.00022   0.03396  -0.00570   0.02810   0.01604
   D193       2.13597   0.00076  -0.19431   0.00854  -0.18578   1.95019
   D194      -1.00703   0.00074  -0.19574   0.00794  -0.18780  -1.19484
   D195      -1.00718   0.00076  -0.19446   0.00834  -0.18612  -1.19331
   D196       2.13300   0.00073  -0.19589   0.00774  -0.18815   1.94485
   D197       0.02135  -0.00017   0.01104  -0.00442   0.00663   0.02798
   D198       3.13776  -0.00041   0.00487  -0.01016  -0.00522   3.13254
   D199      -3.11659   0.00014  -0.02808   0.00371  -0.02455  -3.14114
   D200      -0.00018  -0.00010  -0.03425  -0.00202  -0.03640  -0.03658
   D201       3.13881   0.00007   0.00020   0.00104   0.00127   3.14007
   D202       0.04907  -0.00023  -0.03604  -0.00625  -0.04213   0.00694
   D203      -0.00221   0.00006   0.00051   0.00087   0.00141  -0.00081
   D204      -3.09195  -0.00024  -0.03573  -0.00642  -0.04199  -3.13394
   D205       3.13982   0.00007  -0.00045   0.00115   0.00072   3.14054
   D206       0.05058  -0.00024  -0.03628  -0.00627  -0.04238   0.00820
   D207      -0.00235   0.00007  -0.00076   0.00132   0.00059  -0.00176
   D208      -3.09158  -0.00023  -0.03659  -0.00610  -0.04252  -3.13410
   D209       3.13593   0.00006  -0.00235   0.00103  -0.00130   3.13463
   D210       0.04783  -0.00024  -0.03763  -0.00658  -0.04406   0.00377
   D211      -0.00389   0.00009  -0.00014   0.00166   0.00155  -0.00234
   D212      -3.09199  -0.00022  -0.03542  -0.00595  -0.04121  -3.13320
   D213      -3.14072   0.00007   0.00201   0.00119   0.00324  -3.13748
   D214       0.05443  -0.00023  -0.03339  -0.00620  -0.03944   0.01499
   D215      -0.00090   0.00004  -0.00020   0.00056   0.00039  -0.00051
   D216      -3.08894  -0.00025  -0.03560  -0.00683  -0.04229  -3.13123
   D217       3.14148  -0.00007  -0.00087  -0.00124  -0.00214   3.13934
   D218      -0.05370   0.00023   0.03463   0.00619   0.04065  -0.01304
   D219       0.00109  -0.00005   0.00035  -0.00073  -0.00040   0.00068
   D220       3.08910   0.00025   0.03585   0.00670   0.04239   3.13149
   D221      -3.13661  -0.00007   0.00113  -0.00101   0.00009  -3.13652
   D222      -0.04812   0.00024   0.03697   0.00651   0.04331  -0.00481
   D223       0.00378  -0.00008  -0.00009  -0.00153  -0.00165   0.00213
   D224       3.09227   0.00022   0.03575   0.00599   0.04157   3.13385
   D225       0.00701  -0.00018   0.00040  -0.00317  -0.00283   0.00418
   D226      -3.11334  -0.00022   0.00528  -0.00462   0.00052  -3.11283
   D227       3.09911   0.00026   0.03205   0.00451   0.03672   3.13584
   D228      -0.02124   0.00022   0.03692   0.00306   0.04007   0.01883
   D229       3.10152   0.00033   0.00796   0.00770   0.01553   3.11704
   D230      -0.04577   0.00050  -0.01397   0.01163  -0.00233  -0.04810
   D231       0.01983  -0.00010  -0.03108  -0.00114  -0.03236  -0.01253
   D232      -3.12746   0.00008  -0.05301   0.00279  -0.05021   3.10551
   D233      -0.00745   0.00021  -0.00049   0.00347   0.00304  -0.00441
   D234       3.10727   0.00032  -0.00633   0.00575  -0.00053   3.10674
   D235       3.10832   0.00030  -0.00674   0.00543  -0.00126   3.10706
   D236      -0.06015   0.00040  -0.01258   0.00771  -0.00483  -0.06497
   D237       0.00703  -0.00014  -0.01460  -0.00227  -0.01691  -0.00988
   D238      -3.14148  -0.00007  -0.01012  -0.00094  -0.01102   3.13068
   D239      -3.10635  -0.00020  -0.00785  -0.00430  -0.01221  -3.11856
   D240       0.02832  -0.00014  -0.00337  -0.00297  -0.00632   0.02200
   D241       0.00518  -0.00015   0.00044  -0.00248  -0.00211   0.00307
   D242       3.09721   0.00028   0.03223   0.00500   0.03737   3.13459
   D243      -3.11431  -0.00020   0.00496  -0.00420   0.00063  -3.11368
   D244      -0.02228   0.00023   0.03676   0.00328   0.04012   0.01784
   D245      -3.10495  -0.00023  -0.00859  -0.00475  -0.01340  -3.11835
   D246       0.02858  -0.00015  -0.00363  -0.00321  -0.00682   0.02176
   D247       0.00728  -0.00015  -0.01488  -0.00237  -0.01730  -0.01002
   D248       3.14081  -0.00007  -0.00992  -0.00083  -0.01072   3.13009
   D249       3.10218   0.00031   0.00855   0.00735   0.01578   3.11796
   D250      -0.04057   0.00046  -0.01310   0.01059  -0.00249  -0.04306
   D251       0.02056  -0.00010  -0.03063  -0.00125  -0.03201  -0.01145
   D252      -3.12219   0.00004  -0.05228   0.00199  -0.05028   3.11072
   D253       0.00576  -0.00016  -0.00008  -0.00264  -0.00279   0.00298
   D254      -3.11463  -0.00021   0.00452  -0.00427   0.00011  -3.11452
   D255       3.09939   0.00026   0.03249   0.00471   0.03735   3.13674
   D256      -0.02101   0.00022   0.03709   0.00308   0.04026   0.01925
   D257       3.10282   0.00032   0.00908   0.00741   0.01638   3.11920
   D258      -0.04285   0.00049  -0.01290   0.01118  -0.00170  -0.04455
   D259       0.01929  -0.00009  -0.03102  -0.00106  -0.03221  -0.01292
   D260      -3.12638   0.00007  -0.05300   0.00271  -0.05030   3.10651
   D261      -0.00709   0.00021  -0.00035   0.00341   0.00312  -0.00397
   D262       3.10828   0.00031  -0.00626   0.00556  -0.00064   3.10764
   D263       3.10871   0.00031  -0.00628   0.00558  -0.00063   3.10807
   D264      -0.05910   0.00040  -0.01218   0.00773  -0.00439  -0.06349
   D265       0.00711  -0.00015  -0.01488  -0.00235  -0.01727  -0.01016
   D266       3.14157  -0.00007  -0.01002  -0.00093  -0.01092   3.13065
   D267      -3.10630  -0.00022  -0.00850  -0.00461  -0.01317  -3.11947
   D268       0.02816  -0.00014  -0.00364  -0.00320  -0.00682   0.02134
   D269       0.00585  -0.00017   0.00070  -0.00292  -0.00229   0.00356
   D270       3.09898   0.00026   0.03284   0.00457   0.03759   3.13657
   D271      -3.11419  -0.00021   0.00527  -0.00452   0.00061  -3.11359
   D272      -0.02106   0.00022   0.03741   0.00297   0.04048   0.01943
   D273      -3.10582  -0.00022  -0.00863  -0.00452  -0.01321  -3.11903
   D274       0.02816  -0.00014  -0.00369  -0.00304  -0.00671   0.02145
   D275       0.00713  -0.00015  -0.01498  -0.00228  -0.01731  -0.01018
   D276       3.14111  -0.00007  -0.01004  -0.00081  -0.01082   3.13029
   D277       3.10228   0.00032   0.00830   0.00762   0.01579   3.11807
   D278      -0.04277   0.00048  -0.01370   0.01125  -0.00244  -0.04521
   D279       0.01933  -0.00009  -0.03134  -0.00099  -0.03248  -0.01315
   D280      -3.12572   0.00007  -0.05334   0.00263  -0.05071   3.10676
   D281      -0.00537   0.00016  -0.00046   0.00262   0.00223  -0.00314
   D282       3.11403   0.00021  -0.00519   0.00432  -0.00074   3.11328
   D283      -3.09736  -0.00027  -0.03231  -0.00490  -0.03737  -3.13473
   D284       0.02203  -0.00023  -0.03705  -0.00320  -0.04034  -0.01831
   D285      -3.10201  -0.00032  -0.00834  -0.00745  -0.01567  -3.11768
   D286       0.04148  -0.00047   0.01332  -0.01092   0.00239   0.04387
   D287      -0.02044   0.00010   0.03093   0.00119   0.03226   0.01182
   D288       3.12305  -0.00005   0.05259  -0.00228   0.05032  -3.10982
   D289       0.00757  -0.00022   0.00037  -0.00353  -0.00322   0.00436
   D290      -3.10856  -0.00030   0.00639  -0.00547   0.00086  -3.10771
   D291      -3.10702  -0.00032   0.00647  -0.00578   0.00064  -3.10639
   D292       0.06002  -0.00040   0.01249  -0.00773   0.00471   0.06473
   D293      -0.00720   0.00015   0.01495   0.00238   0.01737   0.01017
   D294      -3.14078   0.00007   0.01010   0.00082   0.01089  -3.12989
   D295       3.10491   0.00022   0.00838   0.00473   0.01316   3.11807
   D296      -0.02867   0.00014   0.00353   0.00317   0.00668  -0.02199
   D297      -0.00703   0.00018  -0.00018   0.00312   0.00300  -0.00402
   D298      -3.09950  -0.00025  -0.03234  -0.00446  -0.03697  -3.13647
   D299       3.11363   0.00022  -0.00487   0.00457  -0.00016   3.11347
   D300       0.02116  -0.00022  -0.03702  -0.00302  -0.04013  -0.01897
   D301       3.10657   0.00021   0.00836   0.00443   0.01285   3.11942
   D302      -0.02794   0.00014   0.00367   0.00300   0.00665  -0.02129
   D303      -0.00721   0.00015   0.01484   0.00241   0.01729   0.01009
   D304       3.14146   0.00008   0.01016   0.00098   0.01110  -3.13063
   D305      -3.10166  -0.00033  -0.00868  -0.00778  -0.01634  -3.11800
   D306       0.04517  -0.00051   0.01342  -0.01169   0.00172   0.04689
   D307      -0.01953   0.00009   0.03096   0.00096   0.03206   0.01253
   D308       3.12730  -0.00008   0.05307  -0.00295   0.05012  -3.10577
   D309       0.00822  -0.00001  -0.01130  -0.00028  -0.01155  -0.00333
   D310      -3.12938  -0.00022   0.00041  -0.00479  -0.00435  -3.13374
   D311      -3.12528  -0.00010  -0.01634  -0.00185  -0.01816   3.13974
   D312       0.02030  -0.00030  -0.00463  -0.00636  -0.01097   0.00933
   D313      -0.00984   0.00015   0.01727   0.00239   0.01970   0.00985
   D314       3.13528  -0.00014   0.01679  -0.00291   0.01390  -3.13401
   D315       3.12778   0.00035   0.00560   0.00688   0.01251   3.14029
   D316      -0.01029   0.00006   0.00513   0.00157   0.00671  -0.00358
   D317      -0.00444  -0.00011   0.00375  -0.00167   0.00200  -0.00243
   D318       3.13833  -0.00026   0.02551  -0.00496   0.02053  -3.12433
   D319       3.13364   0.00018   0.00419   0.00363   0.00781   3.14144
   D320      -0.00678   0.00003   0.02596   0.00033   0.02633   0.01955
   D321      -0.00477  -0.00010   0.00404  -0.00155   0.00241  -0.00236
   D322       3.13073   0.00021   0.00437   0.00420   0.00856   3.13929
   D323      -3.14060  -0.00029   0.02613  -0.00559   0.02052  -3.12008
   D324      -0.00510   0.00002   0.02647   0.00016   0.02666   0.02156
   D325      -0.00874   0.00014   0.01743   0.00216   0.01962   0.01088
   D326       3.12653   0.00036   0.00581   0.00711   0.01295   3.13948
   D327       3.13896  -0.00017   0.01705  -0.00360   0.01346  -3.13076
   D328      -0.00895   0.00005   0.00543   0.00135   0.00679  -0.00216
   D329       0.00744  -0.00001  -0.01175  -0.00017  -0.01188  -0.00445
   D330      -3.12721  -0.00008  -0.01631  -0.00152  -0.01780   3.13817
   D331      -3.12781  -0.00024  -0.00009  -0.00515  -0.00521  -3.13302
   D332       0.02073  -0.00031  -0.00464  -0.00650  -0.01113   0.00960
   D333       0.00738  -0.00001  -0.01169  -0.00011  -0.01176  -0.00438
   D334      -3.12896  -0.00023   0.00019  -0.00495  -0.00473  -3.13369
   D335      -3.12657  -0.00009  -0.01671  -0.00162  -0.01829   3.13832
   D336       0.02027  -0.00031  -0.00482  -0.00645  -0.01126   0.00901
   D337      -0.00902   0.00014   0.01761   0.00217   0.01981   0.01079
   D338       3.13715  -0.00016   0.01710  -0.00332   0.01379  -3.13225
   D339       3.12734   0.00036   0.00578   0.00698   0.01278   3.14013
   D340      -0.00967   0.00006   0.00527   0.00149   0.00677  -0.00291
   D341      -0.00422  -0.00011   0.00396  -0.00165   0.00222  -0.00200
   D342       3.14087  -0.00028   0.02611  -0.00536   0.02072  -3.12159
   D343       3.13280   0.00019   0.00443   0.00382   0.00824   3.14104
   D344      -0.00529   0.00002   0.02658   0.00011   0.02674   0.02145
   D345      -0.00423  -0.00011   0.00385  -0.00168   0.00210  -0.00213
   D346       3.13223   0.00020   0.00426   0.00396   0.00821   3.14044
   D347       3.14149  -0.00028   0.02601  -0.00554   0.02044  -3.12126
   D348      -0.00523   0.00002   0.02642   0.00010   0.02655   0.02132
   D349      -0.00899   0.00014   0.01749   0.00225   0.01978   0.01079
   D350       3.12682   0.00036   0.00578   0.00712   0.01292   3.13974
   D351       3.13775  -0.00016   0.01704  -0.00340   0.01366  -3.13178
   D352      -0.00964   0.00006   0.00533   0.00146   0.00680  -0.00283
   D353       0.00736  -0.00001  -0.01158  -0.00015  -0.01169  -0.00433
   D354      -3.12708  -0.00009  -0.01651  -0.00159  -0.01806   3.13805
   D355      -3.12842  -0.00023   0.00019  -0.00504  -0.00483  -3.13325
   D356       0.02033  -0.00031  -0.00474  -0.00648  -0.01121   0.00912
   D357      -0.00722   0.00000   0.01160  -0.00002   0.01154   0.00432
   D358       3.12813   0.00023  -0.00001   0.00504   0.00501   3.13314
   D359       3.12727   0.00008   0.01635   0.00144   0.01776  -3.13815
   D360      -0.02056   0.00031   0.00475   0.00650   0.01124  -0.00933
   D361       0.00875  -0.00014  -0.01751  -0.00211  -0.01965  -0.01090
   D362      -3.13857   0.00017  -0.01687   0.00363  -0.01326   3.13136
   D363      -3.12663  -0.00037  -0.00595  -0.00715  -0.01313  -3.13975
   D364       0.00925  -0.00005  -0.00532  -0.00140  -0.00673   0.00251
   D365       0.00451   0.00011  -0.00382   0.00167  -0.00207   0.00244
   D366       3.14080   0.00029  -0.02610   0.00569  -0.02038   3.12043
   D367      -3.13137  -0.00020  -0.00441  -0.00405  -0.00845  -3.13982
   D368       0.00492  -0.00002  -0.02669  -0.00004  -0.02676  -0.02184
   D369       0.00460   0.00011  -0.00384   0.00162  -0.00214   0.00246
   D370      -3.13325  -0.00019  -0.00436  -0.00378  -0.00813  -3.14138
   D371      -3.13891   0.00027  -0.02561   0.00515  -0.02044   3.12384
   D372       0.00643  -0.00003  -0.02613  -0.00025  -0.02643  -0.02000
   D373       0.00952  -0.00015  -0.01740  -0.00227  -0.01970  -0.01018
   D374      -3.12787  -0.00035  -0.00577  -0.00691  -0.01271  -3.14058
   D375      -3.13583   0.00015  -0.01684   0.00315  -0.01371   3.13365
   D376       0.00997  -0.00006  -0.00522  -0.00149  -0.00672   0.00325
   D377      -0.00803   0.00001   0.01144   0.00018   0.01158   0.00355
   D378       3.12553   0.00010   0.01637   0.00176   0.01809  -3.13956
   D379       3.12934   0.00022  -0.00023   0.00485   0.00459   3.13393
   D380      -0.02029   0.00031   0.00470   0.00643   0.01110  -0.00919
         Item               Value     Threshold  Converged?
 Maximum Force            0.013669     0.000450     NO 
 RMS     Force            0.001413     0.000300     NO 
 Maximum Displacement     2.108699     0.001800     NO 
 RMS     Displacement     0.193977     0.001200     NO 
 Predicted change in Energy=-1.179099D-02
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C74H46ClN5
 Framework group  C1[X(C74H46ClN5)]
 Deg. of freedom   372
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        1.227153    2.387162    0.021720
      2          6           0        1.576176    1.038738    0.007062
      3          6           0        0.621896    0.008917    0.091570
      4          6           0       -0.733493    0.369117    0.164764
      5          6           0       -1.097554    1.728882    0.182626
      6          6           0       -0.139782    2.717867    0.119353
      7          6           0        0.999715   -1.416612    0.118300
      8          6           0        0.003172   -2.433301    0.163574
      9          6           0       -1.393548   -2.053334    0.101579
     10          6           0       -1.770609   -0.658552    0.167320
     11          6           0        2.345373   -1.799236    0.136853
     12          6           0        2.747982   -3.133765    0.230465
     13          6           0        1.747795   -4.112614    0.340014
     14          6           0        0.405759   -3.783592    0.297839
     15          7           0       -2.405819   -2.933967   -0.086988
     16          6           0       -3.712165   -2.539985   -0.066613
     17          6           0       -4.014183   -1.165780    0.072593
     18          7           0       -3.023817   -0.255376    0.180227
     19          6           0       -4.750903   -3.486984   -0.168314
     20          6           0       -6.050974   -3.043701   -0.154684
     21          6           0       -6.397550   -1.660819   -0.040415
     22          6           0       -5.363946   -0.748593    0.083461
     23          6           0        2.270897    3.451709   -0.066858
     24          6           0        4.195258   -3.493759    0.229822
     25          6           0       -7.829606   -1.225447   -0.043421
     26          6           0        4.660379   -4.616281    0.933132
     27          6           0        6.013540   -4.938481    0.943853
     28          6           0        6.923893   -4.166544    0.219768
     29          6           0        6.474092   -3.057955   -0.500099
     30          6           0        5.126027   -2.717455   -0.479836
     31          6           0        1.996820    4.677510   -0.692818
     32          6           0        2.975103    5.661556   -0.794408
     33          6           0        4.238343    5.451879   -0.239575
     34          6           0        4.520761    4.245296    0.403524
     35          6           0        3.551234    3.250670    0.473502
     36          6           0       -8.874731   -2.142550    0.152495
     37          6           0      -10.202908   -1.727706    0.167177
     38          6           0      -10.521216   -0.387993   -0.051310
     39          6           0       -9.496916    0.536642   -0.264964
     40          6           0       -8.170502    0.123940   -0.244205
     41          7           0        5.232405    6.465309   -0.326741
     42          7           0        8.303507   -4.509656    0.211546
     43          7           0      -11.878071    0.034001   -0.058996
     44          6           0        8.859868   -5.640100   -0.388683
     45          6           0       10.259716   -5.625512   -0.189717
     46          6           0       10.561396   -4.433865    0.570504
     47          6           0        9.332899   -3.771143    0.796598
     48          6           0        6.394535    6.406208   -1.096358
     49          6           0        7.125073    7.604146   -0.919798
     50          6           0        6.370038    8.421921    0.002276
     51          6           0        5.209929    7.688890    0.343122
     52          6           0      -12.484059    0.851062    0.896812
     53          6           0      -13.838229    1.048077    0.541411
     54          6           0      -14.058496    0.319759   -0.687591
     55          6           0      -12.830473   -0.294494   -1.025033
     56          6           0       11.733645   -3.883069    1.103223
     57          6           0       11.658766   -2.698038    1.826570
     58          6           0       10.429479   -2.048715    2.024709
     59          6           0        9.248445   -2.577876    1.513097
     60          6           0        8.215865   -6.654313   -1.096281
     61          6           0        9.005365   -7.669386   -1.628029
     62          6           0       10.399383   -7.666468   -1.458053
     63          6           0       11.030985   -6.655680   -0.742186
     64          6           0        6.572570    9.676414    0.591049
     65          6           0        5.624787   10.168948    1.481172
     66          6           0        4.471203    9.430362    1.791053
     67          6           0        4.248499    8.178136    1.226388
     68          6           0        6.831603    5.380813   -1.934136
     69          6           0        8.025849    5.575561   -2.621402
     70          6           0        8.759127    6.764282   -2.475221
     71          6           0        8.320013    7.776742   -1.629551
     72          6           0      -15.154366    0.152237   -1.543271
     73          6           0      -15.007780   -0.620464   -2.689859
     74          6           0      -13.782898   -1.235395   -2.995555
     75          6           0      -12.675779   -1.079289   -2.166941
     76          6           0      -11.923065    1.409141    2.044702
     77          6           0      -12.752623    2.172656    2.860544
     78          6           0      -14.104958    2.368137    2.536527
     79          6           0      -14.652408    1.814559    1.384568
     80          1           0       -2.277892   -4.036169    0.221381
     81          1           0        2.620457    0.780912   -0.123906
     82          1           0       -2.149904    1.978214    0.250789
     83          1           0       -0.446621    3.757113    0.180124
     84          1           0        3.111410   -1.033080    0.143160
     85          1           0        2.010202   -5.160434    0.439313
     86          1           0       -0.330808   -4.559306    0.508101
     87          1           0       -4.499017   -4.541781   -0.175810
     88          1           0       -6.832835   -3.788042   -0.241193
     89          1           0       -5.532018    0.313446    0.217498
     90          1           0        3.971675   -5.212035    1.522971
     91          1           0        6.379614   -5.800441    1.491478
     92          1           0        7.196465   -2.466534   -1.052675
     93          1           0        4.784716   -1.873078   -1.071291
     94          1           0        1.028551    4.847422   -1.152942
     95          1           0        2.770418    6.609316   -1.281243
     96          1           0        5.509576    4.097795    0.824559
     97          1           0        3.774907    2.330780    1.005124
     98          1           0       -8.665267   -3.189827    0.335812
     99          1           0      -11.008617   -2.437655    0.320701
    100          1           0       -9.758551    1.577921   -0.420379
    101          1           0       -7.396700    0.862318   -0.421755
    102          1           0       12.691880   -4.373291    0.956599
    103          1           0       12.564648   -2.261218    2.236369
    104          1           0       10.404688   -1.120931    2.588135
    105          1           0        8.293482   -2.079834    1.644335
    106          1           0        7.136045   -6.653483   -1.202612
    107          1           0        8.540427   -8.477972   -2.183624
    108          1           0       10.989894   -8.472935   -1.882597
    109          1           0       12.109900   -6.668200   -0.616165
    110          1           0        7.458536   10.260428    0.358699
    111          1           0        5.771458   11.144136    1.935929
    112          1           0        3.745416    9.846073    2.483278
    113          1           0        3.353682    7.603118    1.441462
    114          1           0        6.263407    4.460670   -2.022317
    115          1           0        8.399940    4.799863   -3.282544
    116          1           0        9.688748    6.887871   -3.022786
    117          1           0        8.899663    8.689392   -1.524212
    118          1           0      -16.108960    0.619216   -1.318175
    119          1           0      -15.855353   -0.761302   -3.353974
    120          1           0      -13.702663   -1.840476   -3.893393
    121          1           0      -11.728478   -1.563774   -2.379715
    122          1           0      -10.872523    1.262609    2.273310
    123          1           0      -12.352875    2.624192    3.763313
    124          1           0      -14.728388    2.969590    3.191406
    125          1           0      -15.699782    1.975931    1.145983
    126         17           0       -2.368712   -5.781603    0.714183
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           0.0230680           0.0074284           0.0057924
 Standard basis: 6-31G(d,p) (6D, 7F)
 There are  1434 symmetry adapted cartesian basis functions of A   symmetry.
 There are  1434 symmetry adapted basis functions of A   symmetry.
  1434 basis functions,  2586 primitive gaussians,  1434 cartesian basis functions
   271 alpha electrons      271 beta electrons
       nuclear repulsion energy     10554.2365966554 Hartrees.
 NAtoms=  126 NActive=  126 NUniq=  126 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=T Big=T
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 One-electron integrals computed using PRISM.
 NBasis=  1434 RedAO= T EigKep=  1.60D-04  NBF=  1434
 NBsUse=  1434 1.00D-06 EigRej= -1.00D+00 NBFU=  1434
 Initial guess from the checkpoint file:  "ph.chk"
 B after Tr=     0.000000    0.000000   -0.000000
         Rot=    0.999995   -0.001298    0.000276   -0.003001 Ang=  -0.38 deg.
 ExpMin= 1.43D-01 ExpMax= 2.52D+04 ExpMxC= 3.78D+03 IAcc=2 IRadAn=         4 AccDes= 0.00D+00
 Harris functional with IExCor=  402 and IRadAn=       4 diagonalized for initial guess.
 HarFok:  IExCor=  402 AccDes= 0.00D+00 IRadAn=         4 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=        2001
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Petite list used in FoFCou.
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Integral accuracy reduced to 1.0D-05 until final iterations.
 Initial convergence to 1.0D-05 achieved.  Increase integral accuracy.
 SCF Done:  E(RB3LYP) =  -3581.76756878     A.U. after   14 cycles
            NFock= 14  Conv=0.47D-08     -V/T= 2.0088
 Calling FoFJK, ICntrl=      2127 FMM=T ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.005581675    0.003835530   -0.000263899
      2        6          -0.001977089   -0.002760517    0.002030108
      3        6          -0.003632062   -0.003558591    0.000452808
      4        6           0.004126951    0.002882141   -0.000793577
      5        6           0.001347316   -0.000683335   -0.000238268
      6        6           0.000162093    0.002160239   -0.001963314
      7        6          -0.000315121    0.004409466    0.000651116
      8        6           0.002289172   -0.004269152   -0.000673875
      9        6           0.009131757    0.006856166    0.007912496
     10        6          -0.009463568   -0.001371902    0.002383149
     11        6          -0.001981933   -0.000800834   -0.001892116
     12        6          -0.006778284   -0.001008428    0.001365545
     13        6           0.004874525   -0.004313208    0.002112096
     14        6          -0.000259212    0.002923605   -0.008675977
     15        7          -0.008510602   -0.013147993   -0.027113756
     16        6          -0.001081453   -0.007138058    0.003651620
     17        6           0.000177976    0.003996597    0.001633926
     18        7           0.006042526    0.004176225    0.000441420
     19        6           0.003310886   -0.000288029   -0.002826154
     20        6           0.000692106   -0.001582947    0.001158888
     21        6           0.005527083    0.003517983   -0.000001811
     22        6          -0.000497840    0.001899050   -0.001754707
     23        6           0.006905715   -0.004570352    0.000209163
     24        6           0.006837057    0.003788865   -0.000235674
     25        6          -0.007250787   -0.003914862    0.000034052
     26        6          -0.001133228   -0.000197573   -0.002413799
     27        6           0.001850740   -0.003098805    0.002310345
     28        6          -0.003014924   -0.001699618   -0.000036290
     29        6          -0.001531352    0.002641712   -0.002581497
     30        6          -0.000532848   -0.000070856    0.002562528
     31        6          -0.000770983    0.000813653    0.002422115
     32        6           0.001748746    0.002763247   -0.002616583
     33        6          -0.003067410    0.001600916   -0.000068914
     34        6          -0.001741014   -0.002493733    0.002764290
     35        6          -0.000562634    0.000256166   -0.002594485
     36        6           0.001835435   -0.000256027   -0.001677030
     37        6           0.000860446   -0.001943841    0.003853762
     38        6           0.002916437    0.002169542    0.000075437
     39        6          -0.000979042    0.001470835   -0.003942952
     40        6           0.000263235    0.001139583    0.001470724
     41        7           0.001380324   -0.000826737    0.000025447
     42        7           0.001172154    0.000749891   -0.000238764
     43        7          -0.001196057   -0.000793759   -0.000200027
     44        6           0.003458419    0.000400732   -0.000737627
     45        6          -0.002141776   -0.002078913    0.003334420
     46        6          -0.002957862   -0.000886050   -0.003349921
     47        6           0.002221308    0.002936760    0.000898093
     48        6           0.002117024   -0.002824038   -0.000661180
     49        6          -0.002927623    0.001091637    0.003321413
     50        6          -0.002294445    0.001832019   -0.003540688
     51        6           0.003468684   -0.000445482    0.000911226
     52        6          -0.003731217   -0.000584984    0.000435670
     53        6           0.003056289    0.001029344   -0.003296801
     54        6           0.001964422    0.002342512    0.003340789
     55        6          -0.001804296   -0.003127127   -0.000369326
     56        6          -0.000658093   -0.001011338    0.001066462
     57        6          -0.002318603    0.000512382   -0.000374856
     58        6          -0.000096536    0.000135336   -0.000247204
     59        6           0.000121914    0.001978696    0.000044090
     60        6           0.001896146   -0.000946677   -0.000087244
     61        6           0.000092715   -0.000165916    0.000189238
     62        6          -0.000724033   -0.002266111    0.000313392
     63        6          -0.001202875   -0.000134098   -0.000997202
     64        6          -0.001202529    0.000168728    0.001040714
     65        6          -0.000749933    0.002236016   -0.000539060
     66        6           0.000043829    0.000102831   -0.000209702
     67        6           0.001904827    0.000996725   -0.000128989
     68        6           0.000174801   -0.002048888    0.000095764
     69        6          -0.000091890   -0.000086980    0.000210681
     70        6          -0.002336117   -0.000532789    0.000412664
     71        6          -0.000699916    0.000916150   -0.001133216
     72        6           0.000922837    0.000627092   -0.001123432
     73        6           0.002186907   -0.000066210    0.001029869
     74        6           0.000001655   -0.000025587    0.000227036
     75        6          -0.000060279   -0.002013461    0.000753477
     76        6          -0.001806486    0.000688490   -0.000829236
     77        6           0.000001729    0.000013716   -0.000215390
     78        6           0.000746265    0.002062832   -0.001046757
     79        6           0.000883492    0.000592751    0.001195751
     80        1           0.000338038    0.001770166    0.011464906
     81        1           0.000451766    0.001409414   -0.000810697
     82        1          -0.000408941   -0.000286551   -0.000014772
     83        1          -0.000704816   -0.000115869    0.000675998
     84        1           0.000940435   -0.001264921    0.000521878
     85        1          -0.001120275   -0.000147095   -0.000125997
     86        1          -0.000837272    0.000443814    0.007493557
     87        1           0.000051472   -0.000407938    0.002988326
     88        1           0.000516801    0.000524336    0.000287915
     89        1           0.000647700   -0.000321413    0.000190870
     90        1           0.000269338    0.000004360    0.000587836
     91        1           0.000845428    0.000429362   -0.001460605
     92        1           0.000890601    0.000583214    0.001585258
     93        1          -0.000109331   -0.000291619   -0.000614864
     94        1           0.000136019   -0.000246060   -0.000506351
     95        1           0.000922472   -0.000385168    0.001590689
     96        1           0.000800341   -0.000690035   -0.001533310
     97        1          -0.000002911    0.000215541    0.000568055
     98        1          -0.000335391    0.000003792   -0.000296180
     99        1          -0.000446754   -0.001223866   -0.001333147
    100        1          -0.001379359    0.000037477    0.001399890
    101        1           0.000268875   -0.000133707    0.000556268
    102        1           0.000287391   -0.000223599    0.000344469
    103        1           0.000253132   -0.000199695   -0.000160019
    104        1           0.000629044    0.000374526    0.000074590
    105        1          -0.000382869   -0.000093425   -0.001717016
    106        1          -0.000358643   -0.000267933    0.001826458
    107        1           0.000623960    0.000373359   -0.000035125
    108        1          -0.000054196    0.000316097    0.000172339
    109        1          -0.000039914    0.000363212   -0.000335668
    110        1          -0.000056054   -0.000315005    0.000361520
    111        1          -0.000062129   -0.000318362   -0.000140022
    112        1           0.000643613   -0.000337782    0.000082233
    113        1          -0.000419770    0.000150460   -0.001805133
    114        1          -0.000335052    0.000289795    0.001754861
    115        1           0.000651490   -0.000369439   -0.000024375
    116        1           0.000236318    0.000227729    0.000151090
    117        1           0.000280657    0.000210665   -0.000360060
    118        1          -0.000184917    0.000058470   -0.000455297
    119        1          -0.000269841    0.000226105    0.000023387
    120        1          -0.000595727   -0.000434016   -0.000048849
    121        1          -0.000082654    0.000869333    0.001644150
    122        1           0.000763946   -0.000344890   -0.001579443
    123        1          -0.000630718   -0.000375904    0.000029072
    124        1           0.000110830   -0.000329564   -0.000021211
    125        1          -0.000016974   -0.000190878    0.000449764
    126       17          -0.001777472    0.005751156   -0.000097721
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.027113756 RMS     0.002722557

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.009002938 RMS     0.001413512
 Search for a local minimum.
 Step number   8 out of a maximum of  756
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- RFO/linear search
 Update second derivatives using D2CorX and points    7    8
 DE= -1.17D-02 DEPred=-1.18D-02 R= 9.95D-01
 TightC=F SS=  1.41D+00  RLast= 1.62D+00 DXNew= 4.8285D+00 4.8550D+00
 Trust test= 9.95D-01 RLast= 1.62D+00 DXMaxT set to 3.00D+00
 ITU=  1  1  1  1  1  0  1  0
 Use linear search instead of GDIIS.
     Eigenvalues ---    0.00935   0.02297   0.02576   0.02595   0.02672
     Eigenvalues ---    0.02678   0.02689   0.02692   0.02698   0.02703
     Eigenvalues ---    0.02707   0.02707   0.02708   0.02715   0.02717
     Eigenvalues ---    0.02719   0.02729   0.02741   0.02752   0.02756
     Eigenvalues ---    0.02761   0.02766   0.02768   0.02768   0.02773
     Eigenvalues ---    0.02779   0.02786   0.02786   0.02786   0.02792
     Eigenvalues ---    0.02792   0.02793   0.02793   0.02793   0.02793
     Eigenvalues ---    0.02794   0.02794   0.02794   0.02801   0.02802
     Eigenvalues ---    0.02803   0.02803   0.02803   0.02803   0.02808
     Eigenvalues ---    0.02809   0.02809   0.02809   0.02810   0.02810
     Eigenvalues ---    0.02818   0.02818   0.02818   0.02819   0.02819
     Eigenvalues ---    0.02819   0.02820   0.02828   0.02832   0.02834
     Eigenvalues ---    0.02838   0.02845   0.02845   0.02845   0.02845
     Eigenvalues ---    0.02845   0.02846   0.02848   0.02858   0.02861
     Eigenvalues ---    0.02863   0.02867   0.02868   0.02868   0.02868
     Eigenvalues ---    0.02872   0.02872   0.02874   0.02877   0.02877
     Eigenvalues ---    0.02877   0.02877   0.02877   0.02880   0.02884
     Eigenvalues ---    0.02884   0.02884   0.02885   0.02885   0.02885
     Eigenvalues ---    0.02886   0.02886   0.02886   0.02893   0.02894
     Eigenvalues ---    0.02895   0.02896   0.02897   0.02897   0.02897
     Eigenvalues ---    0.02898   0.02898   0.02900   0.02910   0.02910
     Eigenvalues ---    0.02913   0.02917   0.02941   0.02941   0.02943
     Eigenvalues ---    0.02979   0.03025   0.03026   0.03026   0.03135
     Eigenvalues ---    0.03136   0.03136   0.03138   0.03150   0.03153
     Eigenvalues ---    0.03265   0.03647   0.03952   0.04304   0.09172
     Eigenvalues ---    0.15000   0.15844   0.15898   0.15950   0.15970
     Eigenvalues ---    0.15970   0.15975   0.15977   0.15982   0.15987
     Eigenvalues ---    0.15990   0.15993   0.15995   0.15995   0.15995
     Eigenvalues ---    0.15996   0.15996   0.15996   0.15996   0.15996
     Eigenvalues ---    0.15997   0.15997   0.15997   0.15998   0.15998
     Eigenvalues ---    0.15999   0.15999   0.15999   0.15999   0.15999
     Eigenvalues ---    0.15999   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16002   0.16042   0.16297
     Eigenvalues ---    0.16842   0.21960   0.22000   0.22000   0.22000
     Eigenvalues ---    0.22000   0.22000   0.22001   0.22002   0.22003
     Eigenvalues ---    0.22310   0.22421   0.22428   0.22601   0.22601
     Eigenvalues ---    0.22602   0.22603   0.22603   0.22619   0.22759
     Eigenvalues ---    0.22967   0.22970   0.23225   0.23447   0.23491
     Eigenvalues ---    0.23511   0.23993   0.23999   0.24040   0.24333
     Eigenvalues ---    0.24494   0.24494   0.24495   0.24526   0.24533
     Eigenvalues ---    0.24538   0.24612   0.24689   0.24742   0.24861
     Eigenvalues ---    0.24930   0.24979   0.24980   0.24981   0.24986
     Eigenvalues ---    0.24996   0.24996   0.24998   0.24999   0.25000
     Eigenvalues ---    0.25000   0.25000   0.25000   0.25000   0.25000
     Eigenvalues ---    0.25000   0.25000   0.25005   0.25045   0.25306
     Eigenvalues ---    0.26188   0.28846   0.33222   0.33248   0.33252
     Eigenvalues ---    0.33254   0.33256   0.33257   0.33295   0.33320
     Eigenvalues ---    0.33390   0.33393   0.33396   0.33399   0.33401
     Eigenvalues ---    0.33432   0.33562   0.33567   0.33570   0.33572
     Eigenvalues ---    0.33577   0.33613   0.33617   0.33626   0.33642
     Eigenvalues ---    0.33647   0.33651   0.33660   0.33687   0.33705
     Eigenvalues ---    0.33711   0.33729   0.33812   0.33827   0.33830
     Eigenvalues ---    0.33832   0.33838   0.33840   0.33907   0.33929
     Eigenvalues ---    0.33930   0.33932   0.33937   0.33940   0.34981
     Eigenvalues ---    0.35003   0.35183   0.44394   0.44396   0.44397
     Eigenvalues ---    0.45010   0.46340   0.48148   0.48625   0.48972
     Eigenvalues ---    0.48974   0.49266   0.49347   0.49492   0.49816
     Eigenvalues ---    0.49837   0.49843   0.49876   0.49916   0.49976
     Eigenvalues ---    0.50108   0.50372   0.50376   0.50601   0.50616
     Eigenvalues ---    0.50617   0.50621   0.51859   0.52310   0.52345
     Eigenvalues ---    0.52514   0.52760   0.53881   0.54093   0.54097
     Eigenvalues ---    0.54188   0.54191   0.54192   0.54380   0.54545
     Eigenvalues ---    0.54820   0.55022   0.55182   0.55232   0.55316
     Eigenvalues ---    0.55335   0.55350   0.55368   0.55387   0.55431
     Eigenvalues ---    0.55440   0.55631   0.55708   0.55708   0.55718
     Eigenvalues ---    0.55943   0.55946   0.56031   0.56142   0.56144
     Eigenvalues ---    0.56145   0.56176   0.56279   0.56284   0.56311
     Eigenvalues ---    0.56521   0.56662   0.56665   0.56669   0.56671
     Eigenvalues ---    0.56677   0.56684   0.56743   0.56793   0.56862
     Eigenvalues ---    0.56901   0.56905   0.57149   0.57170   0.57171
     Eigenvalues ---    0.57172   0.57182   0.57183   0.59787   0.61281
     Eigenvalues ---    0.63999   0.66085   0.66090   0.67344   0.67688
     Eigenvalues ---    0.67695   0.67707   0.70106   0.70131   0.70354
     Eigenvalues ---    0.73993   0.76342
 RFO step:  Lambda=-7.43046678D-03 EMin= 9.35445971D-03
 Quartic linear search produced a step of -0.17752.
 Iteration  1 RMS(Cart)=  0.10325185 RMS(Int)=  0.00202640
 Iteration  2 RMS(Cart)=  0.00326943 RMS(Int)=  0.00136303
 Iteration  3 RMS(Cart)=  0.00003818 RMS(Int)=  0.00136295
 Iteration  4 RMS(Cart)=  0.00000252 RMS(Int)=  0.00136295
 Iteration  5 RMS(Cart)=  0.00000017 RMS(Int)=  0.00136295
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        2.63227   0.00199   0.00116   0.00149   0.00266   2.63493
    R2        2.66405   0.00165   0.00058   0.00146   0.00205   2.66610
    R3        2.82228  -0.00485   0.00216  -0.01398  -0.01183   2.81046
    R4        2.65795   0.00161  -0.00012   0.00185   0.00173   2.65968
    R5        2.04767  -0.00117  -0.00135   0.00027  -0.00108   2.04660
    R6        2.65382   0.00730   0.00163   0.01048   0.01218   2.66600
    R7        2.78733   0.00054   0.00246  -0.00464  -0.00206   2.78527
    R8        2.66030   0.00049  -0.00035   0.00061   0.00025   2.66055
    R9        2.75908   0.00285   0.00113   0.00040   0.00150   2.76058
   R10        2.60441   0.00243  -0.00032   0.00396   0.00364   2.60805
   R11        2.04776  -0.00050   0.00018  -0.00153  -0.00134   2.04642
   R12        2.05092  -0.00021  -0.00068   0.00055  -0.00014   2.05078
   R13        2.69165   0.00131  -0.00102   0.00223   0.00122   2.69287
   R14        2.64396   0.00342   0.00056   0.00386   0.00432   2.64828
   R15        2.73785  -0.00111  -0.00277  -0.00169  -0.00456   2.73329
   R16        2.67474  -0.00151  -0.00103  -0.00150  -0.00245   2.67229
   R17        2.73319  -0.00008  -0.00373   0.00148  -0.00238   2.73081
   R18        2.56040  -0.00717  -0.00208  -0.00853  -0.01097   2.54943
   R19        2.48788   0.00858   0.00248   0.00658   0.00944   2.49731
   R20        2.64009   0.00167   0.00058   0.00260   0.00310   2.64319
   R21        2.04741  -0.00147  -0.00131  -0.00047  -0.00179   2.04562
   R22        2.65271   0.00294   0.00189   0.00238   0.00429   2.65700
   R23        2.81829  -0.00460   0.00190  -0.01326  -0.01136   2.80694
   R24        2.61240  -0.00069  -0.00150   0.00117  -0.00022   2.61218
   R25        2.04985   0.00010  -0.00082   0.00131   0.00049   2.05033
   R26        2.06012  -0.00166  -0.00194  -0.00216  -0.00411   2.05602
   R27        2.57875   0.00190   0.00004   0.00074   0.00041   2.57916
   R28        2.17631  -0.00464  -0.04224   0.05436  -0.00726   2.16906
   R29        5.59062  -0.00490  -0.00395  -0.12085  -0.10480   5.48582
   R30        2.67183   0.00722   0.00131   0.00917   0.01041   2.68224
   R31        2.66319   0.00420  -0.00145   0.00702   0.00551   2.66870
   R32        2.55025   0.00385   0.00275   0.00042   0.00355   2.55381
   R33        2.66982   0.00204   0.00051   0.00149   0.00198   2.67179
   R34        2.59579   0.00125  -0.00023   0.00218   0.00198   2.59777
   R35        2.04937   0.00070   0.00000   0.00144   0.00144   2.05081
   R36        2.70273   0.00174   0.00084   0.00002   0.00095   2.70368
   R37        2.04652   0.00027  -0.00041   0.00135   0.00095   2.04747
   R38        2.61564   0.00183   0.00037   0.00257   0.00300   2.61864
   R39        2.82850  -0.00467   0.00104  -0.01257  -0.01153   2.81697
   R40        2.04766  -0.00043  -0.00044   0.00003  -0.00041   2.04725
   R41        2.65204   0.00156   0.00079   0.00124   0.00202   2.65406
   R42        2.65348   0.00142   0.00057   0.00132   0.00189   2.65537
   R43        2.65305   0.00151   0.00083   0.00110   0.00192   2.65498
   R44        2.65410   0.00132   0.00062   0.00112   0.00173   2.65584
   R45        2.65353   0.00178   0.00048   0.00192   0.00239   2.65592
   R46        2.65731   0.00133   0.00031   0.00132   0.00162   2.65894
   R47        2.62867   0.00072  -0.00063   0.00163   0.00100   2.62967
   R48        2.05028  -0.00006  -0.00043   0.00044   0.00001   2.05030
   R49        2.63813   0.00311   0.00064   0.00429   0.00494   2.64308
   R50        2.05005   0.00019   0.00010  -0.00015  -0.00005   2.05000
   R51        2.63852   0.00322   0.00070   0.00436   0.00506   2.64358
   R52        2.68655   0.00022  -0.00066  -0.00242  -0.00308   2.68347
   R53        2.62776   0.00088  -0.00066   0.00194   0.00127   2.62903
   R54        2.05011   0.00016   0.00011  -0.00022  -0.00011   2.04999
   R55        2.05215  -0.00055  -0.00054  -0.00032  -0.00087   2.05128
   R56        2.62917   0.00083  -0.00055   0.00167   0.00112   2.63029
   R57        2.05114  -0.00022  -0.00048   0.00016  -0.00032   2.05082
   R58        2.63722   0.00333   0.00060   0.00464   0.00524   2.64247
   R59        2.05029   0.00014   0.00009  -0.00022  -0.00013   2.05017
   R60        2.63830   0.00309   0.00060   0.00433   0.00494   2.64324
   R61        2.68766   0.00030  -0.00045  -0.00263  -0.00308   2.68458
   R62        2.62812   0.00100  -0.00057   0.00197   0.00139   2.62951
   R63        2.04997   0.00026   0.00014  -0.00004   0.00010   2.05007
   R64        2.05177  -0.00043  -0.00051  -0.00009  -0.00059   2.05117
   R65        2.62962   0.00062  -0.00051   0.00133   0.00081   2.63043
   R66        2.04778  -0.00001  -0.00014   0.00028   0.00013   2.04791
   R67        2.63472   0.00344   0.00083   0.00458   0.00542   2.64014
   R68        2.04995   0.00018   0.00010  -0.00014  -0.00004   2.04991
   R69        2.63872   0.00321   0.00076   0.00427   0.00504   2.64376
   R70        2.68527   0.00034  -0.00040  -0.00259  -0.00298   2.68228
   R71        2.62538   0.00079  -0.00048   0.00163   0.00116   2.62654
   R72        2.05004   0.00018   0.00010  -0.00016  -0.00006   2.04998
   R73        2.04885  -0.00026  -0.00020  -0.00002  -0.00023   2.04862
   R74        2.63639   0.00315   0.00447  -0.00365   0.00081   2.63720
   R75        2.63640   0.00331   0.00455  -0.00361   0.00093   2.63733
   R76        2.63731   0.00329   0.00457  -0.00369   0.00087   2.63819
   R77        2.63706   0.00302   0.00463  -0.00400   0.00062   2.63768
   R78        2.63776   0.00303   0.00451  -0.00389   0.00061   2.63838
   R79        2.63764   0.00316   0.00446  -0.00371   0.00074   2.63839
   R80        2.67206   0.00364   0.00021   0.00448   0.00469   2.67675
   R81        2.63484   0.00275   0.00022   0.00391   0.00413   2.63897
   R82        2.73127   0.00245   0.00133   0.00038   0.00171   2.73299
   R83        2.64651   0.00033  -0.00029   0.00036   0.00007   2.64659
   R84        2.67216   0.00368   0.00017   0.00457   0.00474   2.67690
   R85        2.64652   0.00028  -0.00028   0.00028   0.00001   2.64652
   R86        2.63506   0.00265   0.00020   0.00382   0.00402   2.63908
   R87        2.67242   0.00365   0.00023   0.00443   0.00466   2.67708
   R88        2.63502   0.00264   0.00023   0.00378   0.00401   2.63903
   R89        2.73133   0.00240   0.00127   0.00038   0.00166   2.73299
   R90        2.64657   0.00029  -0.00028   0.00031   0.00003   2.64661
   R91        2.67205   0.00377   0.00026   0.00459   0.00485   2.67689
   R92        2.64658   0.00032  -0.00027   0.00032   0.00005   2.64663
   R93        2.63471   0.00282   0.00026   0.00395   0.00421   2.63892
   R94        2.67174   0.00376   0.00024   0.00461   0.00485   2.67659
   R95        2.63467   0.00275   0.00025   0.00388   0.00413   2.63880
   R96        2.73156   0.00235   0.00128   0.00033   0.00162   2.73318
   R97        2.64649   0.00031  -0.00027   0.00031   0.00004   2.64654
   R98        2.67195   0.00371   0.00025   0.00451   0.00477   2.67672
   R99        2.64641   0.00032  -0.00028   0.00035   0.00007   2.64649
   R100       2.63465   0.00276   0.00025   0.00390   0.00415   2.63880
   R101       2.62742   0.00117   0.00007   0.00148   0.00155   2.62897
   R102       2.05279  -0.00001   0.00018  -0.00059  -0.00041   2.05239
   R103       2.65372   0.00166  -0.00032   0.00244   0.00213   2.65585
   R104       2.05222  -0.00018  -0.00002  -0.00055  -0.00057   2.05165
   R105       2.62978   0.00107   0.00050   0.00071   0.00121   2.63098
   R106       2.05176   0.00013   0.00034  -0.00061  -0.00028   2.05149
   R107       2.05035  -0.00011  -0.00021  -0.00013  -0.00034   2.05002
   R108       2.62967   0.00107   0.00051   0.00070   0.00121   2.63087
   R109       2.05043  -0.00018  -0.00022  -0.00024  -0.00046   2.04997
   R110       2.65383   0.00166  -0.00033   0.00245   0.00212   2.65595
   R111       2.05161   0.00014   0.00036  -0.00062  -0.00025   2.05135
   R112       2.62738   0.00111   0.00008   0.00140   0.00148   2.62886
   R113       2.05219  -0.00017  -0.00001  -0.00055  -0.00056   2.05163
   R114       2.05285  -0.00002   0.00017  -0.00061  -0.00044   2.05241
   R115       2.62747   0.00111   0.00004   0.00143   0.00148   2.62895
   R116       2.05276   0.00001   0.00019  -0.00057  -0.00038   2.05238
   R117       2.65390   0.00165  -0.00030   0.00240   0.00210   2.65600
   R118       2.05217  -0.00016  -0.00001  -0.00052  -0.00053   2.05164
   R119       2.62972   0.00108   0.00048   0.00075   0.00123   2.63094
   R120       2.05169   0.00015   0.00035  -0.00060  -0.00024   2.05144
   R121       2.05068  -0.00024  -0.00024  -0.00033  -0.00057   2.05011
   R122       2.62970   0.00108   0.00048   0.00075   0.00124   2.63093
   R123       2.05041  -0.00011  -0.00020  -0.00015  -0.00035   2.05005
   R124       2.65379   0.00168  -0.00030   0.00245   0.00215   2.65594
   R125       2.05169   0.00014   0.00036  -0.00060  -0.00024   2.05145
   R126       2.62737   0.00116   0.00007   0.00146   0.00154   2.62891
   R127       2.05216  -0.00016  -0.00001  -0.00052  -0.00053   2.05162
   R128       2.05279  -0.00000   0.00019  -0.00058  -0.00039   2.05239
   R129       2.62748   0.00111   0.00006   0.00142   0.00149   2.62896
   R130       2.05276   0.00000   0.00018  -0.00057  -0.00039   2.05237
   R131       2.65365   0.00169  -0.00031   0.00247   0.00216   2.65581
   R132       2.05213  -0.00015  -0.00001  -0.00051  -0.00052   2.05161
   R133       2.62983   0.00106   0.00049   0.00071   0.00119   2.63103
   R134       2.05161   0.00015   0.00036  -0.00061  -0.00024   2.05137
   R135       2.05049  -0.00017  -0.00022  -0.00023  -0.00045   2.05004
   R136       2.62986   0.00107   0.00047   0.00073   0.00121   2.63106
   R137       2.05048  -0.00016  -0.00022  -0.00021  -0.00043   2.05005
   R138       2.65371   0.00166  -0.00030   0.00242   0.00213   2.65583
   R139       2.05162   0.00015   0.00035  -0.00058  -0.00022   2.05139
   R140       2.62744   0.00115   0.00005   0.00148   0.00153   2.62897
   R141       2.05214  -0.00015  -0.00001  -0.00050  -0.00051   2.05163
   R142       2.05273   0.00001   0.00019  -0.00056  -0.00037   2.05236
   R143       3.43163  -0.00102   0.13197  -0.17853  -0.06667   3.36496
    A1        2.06096   0.00060  -0.00099   0.00066  -0.00032   2.06064
    A2        2.11096  -0.00010   0.00057  -0.00020   0.00036   2.11133
    A3        2.11126  -0.00049   0.00042  -0.00046  -0.00005   2.11121
    A4        2.13903  -0.00033   0.00016   0.00098   0.00115   2.14018
    A5        2.06358  -0.00091   0.00147  -0.00735  -0.00588   2.05770
    A6        2.07934   0.00125  -0.00150   0.00645   0.00495   2.08429
    A7        2.06026  -0.00014   0.00035  -0.00106  -0.00075   2.05951
    A8        2.13521   0.00050  -0.00081   0.00088   0.00006   2.13527
    A9        2.08767  -0.00036   0.00042   0.00026   0.00072   2.08839
   A10        2.09208  -0.00084  -0.00064  -0.00181  -0.00242   2.08967
   A11        2.10033  -0.00062   0.00056  -0.00078  -0.00030   2.10002
   A12        2.08995   0.00147   0.00018   0.00266   0.00290   2.09285
   A13        2.10927   0.00034   0.00026   0.00140   0.00164   2.11091
   A14        2.06483  -0.00022  -0.00283   0.00596   0.00314   2.06797
   A15        2.10908  -0.00013   0.00257  -0.00736  -0.00478   2.10430
   A16        2.10445   0.00037   0.00090  -0.00027   0.00063   2.10508
   A17        2.09745  -0.00090  -0.00090   0.00054  -0.00036   2.09709
   A18        2.08070   0.00054   0.00005  -0.00013  -0.00009   2.08061
   A19        2.10739  -0.00087  -0.00197  -0.00098  -0.00293   2.10446
   A20        2.10703   0.00347   0.00273   0.00871   0.01148   2.11851
   A21        2.06836  -0.00260  -0.00077  -0.00766  -0.00848   2.05987
   A22        2.07822   0.00147  -0.00036   0.00367   0.00302   2.08124
   A23        2.07712   0.00189   0.00072   0.00437   0.00537   2.08248
   A24        2.12758  -0.00334  -0.00057  -0.00770  -0.00821   2.11937
   A25        2.09705   0.00164   0.00513   0.00048   0.00579   2.10283
   A26        2.16006  -0.00900  -0.00581  -0.01673  -0.02188   2.13818
   A27        2.02455   0.00740   0.00095   0.01672   0.01689   2.04144
   A28        2.08691  -0.00108  -0.00349   0.00019  -0.00346   2.08345
   A29        2.04950   0.00574   0.00462   0.01325   0.01817   2.06768
   A30        2.14591  -0.00465  -0.00106  -0.01307  -0.01432   2.13159
   A31        2.14039   0.00035   0.00024   0.00413   0.00423   2.14461
   A32        2.07912   0.00049  -0.00185   0.00377   0.00194   2.08106
   A33        2.06161  -0.00081   0.00167  -0.00710  -0.00540   2.05621
   A34        2.05555   0.00060  -0.00032   0.00216   0.00185   2.05740
   A35        2.10622   0.00094   0.00108   0.00105   0.00212   2.10834
   A36        2.12134  -0.00153  -0.00077  -0.00317  -0.00395   2.11740
   A37        2.12157  -0.00188  -0.00080  -0.00627  -0.00686   2.11472
   A38        2.10408  -0.00025  -0.00119   0.00201   0.00072   2.10480
   A39        2.05730   0.00212   0.00203   0.00410   0.00603   2.06333
   A40        2.10142   0.00169   0.00089   0.00439   0.00479   2.10620
   A41        2.10011  -0.00069   0.00000   0.00369   0.00279   2.10290
   A42        2.07221  -0.00051  -0.00009   0.00056  -0.00043   2.07178
   A43        2.12408  -0.00024   0.00459  -0.00291   0.00275   2.12683
   A44        2.09647   0.00406  -0.00408   0.04769   0.03940   2.13587
   A45        2.18776  -0.00027  -0.04346   0.02823  -0.01010   2.17766
   A46        1.95914  -0.00076   0.01330  -0.00041   0.01184   1.97098
   A47        1.86070   0.00072  -0.00505   0.00928   0.00911   1.86981
   A48        2.07896  -0.00176  -0.00552  -0.00293  -0.00931   2.06964
   A49        2.10657   0.00314   0.00399   0.00741   0.01201   2.11858
   A50        2.09760  -0.00138   0.00154  -0.00442  -0.00264   2.09496
   A51        2.10223   0.00060   0.00252   0.00216   0.00457   2.10681
   A52        2.08500  -0.00042  -0.00217   0.00108  -0.00119   2.08380
   A53        2.09589  -0.00018  -0.00039  -0.00319  -0.00336   2.09253
   A54        2.08425  -0.00112  -0.00101   0.00358   0.00277   2.08701
   A55        2.07148   0.00032   0.00037   0.00151   0.00167   2.07314
   A56        2.07473   0.00022   0.00133   0.00184   0.00315   2.07788
   A57        2.13385  -0.00045  -0.00151  -0.00171  -0.00324   2.13061
   A58        2.14381   0.00050  -0.00077   0.00106   0.00030   2.14411
   A59        2.04958   0.00044   0.00233  -0.00261  -0.00030   2.04928
   A60        2.08978  -0.00094  -0.00157   0.00149  -0.00010   2.08968
   A61        2.05267   0.00078   0.00007   0.00033   0.00045   2.05312
   A62        2.10939  -0.00089  -0.00050  -0.00014  -0.00068   2.10871
   A63        2.12109   0.00012   0.00044  -0.00015   0.00026   2.12134
   A64        2.11545   0.00021   0.00100   0.00072   0.00165   2.11711
   A65        2.02479   0.00052  -0.00045   0.00218   0.00176   2.02655
   A66        2.14266  -0.00072  -0.00052  -0.00289  -0.00337   2.13929
   A67        2.10896  -0.00022   0.00135  -0.00090   0.00046   2.10942
   A68        2.10872   0.00108   0.00149   0.00283   0.00433   2.11306
   A69        2.06550  -0.00086  -0.00284  -0.00194  -0.00479   2.06071
   A70        2.11097  -0.00034   0.00121  -0.00092   0.00029   2.11126
   A71        2.10588   0.00115   0.00165   0.00272   0.00438   2.11025
   A72        2.06633  -0.00082  -0.00286  -0.00180  -0.00467   2.06166
   A73        2.11982  -0.00032   0.00098  -0.00081   0.00018   2.11999
   A74        2.10756   0.00126   0.00048   0.00425   0.00474   2.11229
   A75        2.05581  -0.00094  -0.00147  -0.00344  -0.00492   2.05090
   A76        2.10754   0.00116   0.00225   0.00157   0.00381   2.11134
   A77        2.09564  -0.00088  -0.00026  -0.00064  -0.00090   2.09475
   A78        2.07843  -0.00026  -0.00189  -0.00066  -0.00255   2.07588
   A79        2.09702  -0.00010  -0.00071   0.00287   0.00216   2.09917
   A80        2.11319  -0.00118   0.00030  -0.00991  -0.00961   2.10357
   A81        2.07273   0.00129   0.00044   0.00725   0.00768   2.08041
   A82        2.09021  -0.00125  -0.00023  -0.00660  -0.00683   2.08338
   A83        2.09712   0.00061   0.00022   0.00309   0.00330   2.10042
   A84        2.09586   0.00063   0.00001   0.00351   0.00352   2.09938
   A85        2.09349   0.00040  -0.00038   0.00416   0.00376   2.09725
   A86        2.07252   0.00119   0.00037   0.00716   0.00751   2.08003
   A87        2.11700  -0.00158   0.00004  -0.01112  -0.01110   2.10590
   A88        2.11120   0.00061   0.00197   0.00011   0.00208   2.11328
   A89        2.09057  -0.00033   0.00000   0.00128   0.00129   2.09186
   A90        2.07962  -0.00027  -0.00183  -0.00124  -0.00307   2.07655
   A91        2.10951   0.00096   0.00211   0.00106   0.00317   2.11268
   A92        2.09443  -0.00086  -0.00025  -0.00071  -0.00095   2.09348
   A93        2.07783  -0.00008  -0.00175  -0.00023  -0.00197   2.07585
   A94        2.09576   0.00012  -0.00061   0.00348   0.00285   2.09861
   A95        2.11525  -0.00139   0.00012  -0.01050  -0.01040   2.10485
   A96        2.07192   0.00129   0.00053   0.00729   0.00779   2.07971
   A97        2.08988  -0.00128  -0.00020  -0.00673  -0.00692   2.08296
   A98        2.09583   0.00086   0.00030   0.00364   0.00394   2.09977
   A99        2.09747   0.00042  -0.00011   0.00309   0.00298   2.10045
   A100       2.09467   0.00023  -0.00051   0.00370   0.00317   2.09784
   A101       2.07223   0.00122   0.00043   0.00717   0.00758   2.07980
   A102       2.11610  -0.00144   0.00011  -0.01065  -0.01056   2.10554
   A103       2.11052   0.00085   0.00208   0.00076   0.00283   2.11334
   A104       2.09159  -0.00056  -0.00014   0.00060   0.00046   2.09205
   A105       2.07939  -0.00027  -0.00182  -0.00113  -0.00295   2.07644
   A106       2.11433   0.00102   0.00136   0.00199   0.00334   2.11767
   A107       2.10707  -0.00085  -0.00095  -0.00034  -0.00128   2.10579
   A108       2.06103  -0.00017  -0.00036  -0.00176  -0.00212   2.05891
   A109       2.09754   0.00011  -0.00075   0.00355   0.00279   2.10033
   A110       2.11216  -0.00142   0.00040  -0.01086  -0.01049   2.10167
   A111       2.07313   0.00134   0.00041   0.00762   0.00801   2.08115
   A112       2.08609  -0.00138   0.00025  -0.00739  -0.00713   2.07896
   A113       2.09926   0.00075  -0.00006   0.00371   0.00365   2.10291
   A114       2.09783   0.00063  -0.00020   0.00368   0.00348   2.10131
   A115       2.09597   0.00031  -0.00065   0.00408   0.00341   2.09938
   A116       2.07213   0.00131   0.00046   0.00763   0.00805   2.08018
   A117       2.11476  -0.00159   0.00025  -0.01137  -0.01116   2.10360
   A118       2.11606   0.00089   0.00130   0.00151   0.00281   2.11887
   A119       2.09889  -0.00043  -0.00096   0.00163   0.00068   2.09956
   A120       2.06764  -0.00047  -0.00028  -0.00332  -0.00360   2.06404
   A121       2.19671  -0.00037   0.00047  -0.00207  -0.00158   2.19513
   A122       2.19475   0.00009   0.00081  -0.00139  -0.00056   2.19419
   A123       1.89172   0.00027  -0.00129   0.00345   0.00214   1.89386
   A124       2.19548  -0.00008   0.00073  -0.00173  -0.00098   2.19450
   A125       2.19654  -0.00034   0.00053  -0.00211  -0.00156   2.19497
   A126       1.89116   0.00043  -0.00127   0.00383   0.00254   1.89370
   A127       2.19528  -0.00015   0.00066  -0.00177  -0.00110   2.19418
   A128       2.19617  -0.00013   0.00064  -0.00169  -0.00104   2.19513
   A129       1.89173   0.00028  -0.00130   0.00346   0.00213   1.89387
   A130       1.90264  -0.00048  -0.00017  -0.00129  -0.00143   1.90121
   A131       2.24379   0.00234   0.00012   0.00920   0.00938   2.25317
   A132       2.13670  -0.00187  -0.00017  -0.00784  -0.00795   2.12875
   A133       1.86415   0.00024   0.00080  -0.00063   0.00015   1.86430
   A134       2.07386   0.00127   0.00040   0.00592   0.00633   2.08019
   A135       2.34482  -0.00151  -0.00118  -0.00519  -0.00638   2.33845
   A136       1.86416   0.00023   0.00078  -0.00065   0.00012   1.86428
   A137       2.34487  -0.00148  -0.00117  -0.00514  -0.00631   2.33856
   A138       2.07380   0.00126   0.00040   0.00589   0.00630   2.08010
   A139       1.90266  -0.00042  -0.00015  -0.00124  -0.00137   1.90129
   A140       2.24417   0.00225   0.00003   0.00917   0.00925   2.25343
   A141       2.13630  -0.00183  -0.00009  -0.00786  -0.00789   2.12841
   A142       1.90239  -0.00031  -0.00010  -0.00099  -0.00106   1.90133
   A143       2.24426   0.00215   0.00005   0.00888   0.00899   2.25325
   A144       2.13651  -0.00184  -0.00016  -0.00784  -0.00793   2.12857
   A145       1.86405   0.00022   0.00075  -0.00069   0.00005   1.86411
   A146       2.07359   0.00130   0.00042   0.00599   0.00641   2.08000
   A147       2.34520  -0.00151  -0.00116  -0.00520  -0.00636   2.33884
   A148       1.86404   0.00021   0.00077  -0.00069   0.00007   1.86411
   A149       2.34543  -0.00156  -0.00121  -0.00529  -0.00651   2.33893
   A150       2.07336   0.00135   0.00045   0.00608   0.00655   2.07991
   A151       1.90256  -0.00040  -0.00014  -0.00107  -0.00119   1.90137
   A152       2.24343   0.00239   0.00015   0.00923   0.00943   2.25287
   A153       2.13715  -0.00199  -0.00022  -0.00810  -0.00825   2.12890
   A154       1.90208  -0.00032  -0.00010  -0.00097  -0.00104   1.90104
   A155       2.24388   0.00226   0.00008   0.00906   0.00919   2.25306
   A156       2.13718  -0.00195  -0.00019  -0.00803  -0.00815   2.12903
   A157       1.86447   0.00018   0.00075  -0.00076  -0.00003   1.86444
   A158       2.07346   0.00132   0.00044   0.00603   0.00647   2.07993
   A159       2.34489  -0.00149  -0.00117  -0.00515  -0.00633   2.33856
   A160       1.86446   0.00019   0.00075  -0.00071   0.00003   1.86448
   A161       2.34483  -0.00151  -0.00116  -0.00522  -0.00639   2.33844
   A162       2.07356   0.00132   0.00043   0.00602   0.00646   2.08002
   A163       1.90203  -0.00033  -0.00010  -0.00101  -0.00108   1.90095
   A164       2.24418   0.00225   0.00009   0.00898   0.00913   2.25331
   A165       2.13693  -0.00192  -0.00021  -0.00791  -0.00805   2.12888
   A166       2.08062   0.00005   0.00003  -0.00058  -0.00053   2.08009
   A167       2.10544  -0.00054  -0.00127   0.00010  -0.00117   2.10426
   A168       2.09712   0.00049   0.00123   0.00048   0.00171   2.09883
   A169       2.11139  -0.00057  -0.00055  -0.00261  -0.00315   2.10824
   A170       2.08774   0.00027   0.00058   0.00065   0.00121   2.08895
   A171       2.08400   0.00030  -0.00002   0.00202   0.00199   2.08599
   A172       2.11206   0.00108   0.00094   0.00216   0.00311   2.11517
   A173       2.08096   0.00020   0.00072   0.00072   0.00143   2.08239
   A174       2.09016  -0.00128  -0.00166  -0.00289  -0.00455   2.08561
   A175       2.05206   0.00002  -0.00075   0.00299   0.00224   2.05430
   A176       2.10397   0.00125   0.00061   0.00694   0.00754   2.11151
   A177       2.12698  -0.00126   0.00017  -0.00982  -0.00966   2.11733
   A178       2.05158   0.00001  -0.00067   0.00292   0.00225   2.05384
   A179       2.10463   0.00129   0.00052   0.00715   0.00766   2.11229
   A180       2.12672  -0.00129   0.00019  -0.00993  -0.00975   2.11698
   A181       2.11228   0.00110   0.00092   0.00220   0.00313   2.11541
   A182       2.08963  -0.00128  -0.00160  -0.00292  -0.00452   2.08511
   A183       2.08127   0.00018   0.00068   0.00072   0.00138   2.08266
   A184       2.11153  -0.00057  -0.00058  -0.00259  -0.00317   2.10836
   A185       2.08392   0.00030   0.00000   0.00200   0.00199   2.08591
   A186       2.08766   0.00027   0.00059   0.00067   0.00124   2.08890
   A187       2.08026   0.00006   0.00009  -0.00062  -0.00051   2.07975
   A188       2.10561  -0.00054  -0.00130   0.00013  -0.00117   2.10444
   A189       2.09732   0.00048   0.00120   0.00049   0.00168   2.09900
   A190       2.08044   0.00006   0.00006  -0.00060  -0.00052   2.07992
   A191       2.10552  -0.00052  -0.00128   0.00017  -0.00111   2.10440
   A192       2.09723   0.00046   0.00121   0.00043   0.00164   2.09886
   A193       2.11168  -0.00059  -0.00059  -0.00269  -0.00327   2.10841
   A194       2.08763   0.00027   0.00060   0.00065   0.00123   2.08886
   A195       2.08382   0.00033   0.00000   0.00211   0.00210   2.08591
   A196       2.11200   0.00114   0.00097   0.00226   0.00324   2.11524
   A197       2.08108   0.00016   0.00069   0.00066   0.00135   2.08243
   A198       2.09010  -0.00130  -0.00166  -0.00293  -0.00460   2.08551
   A199       2.05158   0.00005  -0.00069   0.00304   0.00235   2.05393
   A200       2.10393   0.00127   0.00058   0.00703   0.00761   2.11153
   A201       2.12747  -0.00131   0.00014  -0.00995  -0.00981   2.11765
   A202       2.05196   0.00000  -0.00071   0.00291   0.00221   2.05417
   A203       2.10401   0.00123   0.00048   0.00703   0.00750   2.11152
   A204       2.12699  -0.00123   0.00026  -0.00981  -0.00956   2.11743
   A205       2.11200   0.00111   0.00095   0.00223   0.00319   2.11519
   A206       2.09031  -0.00131  -0.00165  -0.00300  -0.00466   2.08566
   A207       2.08088   0.00020   0.00069   0.00076   0.00145   2.08233
   A208       2.11158  -0.00060  -0.00058  -0.00264  -0.00322   2.10836
   A209       2.08385   0.00032   0.00001   0.00207   0.00206   2.08590
   A210       2.08769   0.00028   0.00059   0.00065   0.00122   2.08891
   A211       2.08057   0.00003   0.00007  -0.00065  -0.00057   2.08000
   A212       2.10561  -0.00053  -0.00131   0.00015  -0.00116   2.10444
   A213       2.09701   0.00050   0.00124   0.00050   0.00173   2.09874
   A214       2.08042   0.00004   0.00008  -0.00066  -0.00057   2.07986
   A215       2.10555  -0.00053  -0.00130   0.00017  -0.00113   2.10442
   A216       2.09721   0.00048   0.00121   0.00049   0.00170   2.09891
   A217       2.11162  -0.00059  -0.00059  -0.00264  -0.00322   2.10840
   A218       2.08760   0.00028   0.00060   0.00066   0.00124   2.08884
   A219       2.08389   0.00032   0.00000   0.00206   0.00205   2.08594
   A220       2.11202   0.00113   0.00095   0.00228   0.00324   2.11526
   A221       2.08123   0.00018   0.00068   0.00071   0.00138   2.08261
   A222       2.08993  -0.00131  -0.00162  -0.00299  -0.00462   2.08531
   A223       2.05166   0.00002  -0.00067   0.00290   0.00223   2.05390
   A224       2.10460   0.00127   0.00050   0.00710   0.00759   2.11219
   A225       2.12668  -0.00128   0.00021  -0.00986  -0.00966   2.11702
   A226       2.05152   0.00004  -0.00070   0.00303   0.00232   2.05385
   A227       2.10479   0.00123   0.00058   0.00680   0.00737   2.11217
   A228       2.12669  -0.00126   0.00016  -0.00972  -0.00957   2.11712
   A229       2.11198   0.00113   0.00097   0.00224   0.00322   2.11520
   A230       2.08998  -0.00130  -0.00166  -0.00292  -0.00459   2.08539
   A231       2.08123   0.00017   0.00069   0.00067   0.00135   2.08258
   A232       2.11171  -0.00060  -0.00059  -0.00268  -0.00326   2.10845
   A233       2.08381   0.00033   0.00000   0.00210   0.00208   2.08589
   A234       2.08761   0.00028   0.00059   0.00065   0.00123   2.08884
   A235       2.08038   0.00005   0.00006  -0.00059  -0.00052   2.07986
   A236       2.10554  -0.00053  -0.00128   0.00015  -0.00113   2.10441
   A237       2.09726   0.00047   0.00122   0.00044   0.00165   2.09891
    D1       -0.00514  -0.00008   0.00078  -0.00202  -0.00121  -0.00635
    D2        3.08262   0.00021   0.00403   0.00005   0.00410   3.08671
    D3        3.13905  -0.00002   0.00008  -0.00029  -0.00021   3.13884
    D4       -0.05639   0.00027   0.00332   0.00178   0.00510  -0.05129
    D5       -0.01265   0.00001   0.00068  -0.00067  -0.00002  -0.01267
    D6        3.09194   0.00033   0.00220   0.00402   0.00620   3.09814
    D7        3.12635  -0.00005   0.00138  -0.00239  -0.00102   3.12533
    D8       -0.05225   0.00027   0.00291   0.00230   0.00520  -0.04705
    D9        2.58740  -0.00078   0.03821  -0.05785  -0.01963   2.56777
   D10       -0.55356  -0.00082   0.03818  -0.05872  -0.02053  -0.57409
   D11       -0.55153  -0.00072   0.03748  -0.05607  -0.01860  -0.57013
   D12        2.59070  -0.00077   0.03746  -0.05694  -0.01949   2.57120
   D13        0.02386   0.00009  -0.00191   0.00423   0.00236   0.02622
   D14       -3.10725  -0.00024   0.00061  -0.00388  -0.00317  -3.11042
   D15       -3.06342  -0.00014  -0.00523   0.00256  -0.00271  -3.06613
   D16        0.08865  -0.00046  -0.00272  -0.00556  -0.00823   0.08041
   D17       -0.02506  -0.00006   0.00158  -0.00380  -0.00229  -0.02734
   D18        3.07270   0.00019   0.00500  -0.00211   0.00287   3.07556
   D19        3.10635   0.00026  -0.00088   0.00409   0.00308   3.10944
   D20       -0.07908   0.00051   0.00254   0.00578   0.00824  -0.07084
   D21       -3.10812  -0.00010  -0.00206   0.00087  -0.00123  -3.10935
   D22        0.06434  -0.00019  -0.00176  -0.00173  -0.00357   0.06076
   D23        0.04411  -0.00043   0.00049  -0.00736  -0.00684   0.03727
   D24       -3.06662  -0.00052   0.00080  -0.00996  -0.00918  -3.07580
   D25        0.00825   0.00000  -0.00019   0.00133   0.00120   0.00945
   D26       -3.12978   0.00000  -0.00034   0.00107   0.00076  -3.12901
   D27       -3.08976  -0.00019  -0.00360  -0.00027  -0.00385  -3.09361
   D28        0.05540  -0.00019  -0.00375  -0.00052  -0.00429   0.05111
   D29        0.00612   0.00051  -0.00279   0.01031   0.00747   0.01359
   D30       -3.09233   0.00015  -0.00477   0.00140  -0.00379  -3.09611
   D31        3.10393   0.00070   0.00062   0.01188   0.01250   3.11642
   D32        0.00548   0.00034  -0.00136   0.00297   0.00124   0.00672
   D33        0.01114   0.00001  -0.00097   0.00097  -0.00002   0.01111
   D34       -3.09381  -0.00028  -0.00247  -0.00369  -0.00618  -3.09999
   D35       -3.13411   0.00001  -0.00083   0.00126   0.00044  -3.13367
   D36        0.04413  -0.00028  -0.00232  -0.00340  -0.00572   0.03841
   D37        0.06453  -0.00062  -0.00331  -0.00719  -0.01041   0.05413
   D38       -3.05276  -0.00108   0.00229  -0.02278  -0.02054  -3.07330
   D39       -3.10725  -0.00042  -0.00354  -0.00436  -0.00780  -3.11505
   D40        0.05864  -0.00088   0.00206  -0.01996  -0.01793   0.04070
   D41        3.08365   0.00098  -0.00141   0.02128   0.01992   3.10357
   D42        0.01248   0.00032  -0.00239   0.00798   0.00558   0.01806
   D43       -0.02775   0.00086  -0.00109   0.01862   0.01755  -0.01020
   D44       -3.09893   0.00020  -0.00208   0.00532   0.00321  -3.09572
   D45       -0.13782   0.00138   0.00249   0.02331   0.02569  -0.11213
   D46        2.94196   0.00248   0.01192   0.03345   0.04524   2.98720
   D47        2.97874   0.00193  -0.00323   0.03956   0.03625   3.01499
   D48       -0.22466   0.00304   0.00620   0.04970   0.05579  -0.16887
   D49       -0.03671   0.00012  -0.00315   0.00595   0.00286  -0.03385
   D50        2.95573   0.00395   0.00418   0.07379   0.07810   3.03383
   D51        3.12990  -0.00043   0.00260  -0.01028  -0.00767   3.12223
   D52       -0.16084   0.00340   0.00993   0.05756   0.06756  -0.09328
   D53        0.10388  -0.00152   0.00036  -0.02527  -0.02475   0.07912
   D54       -3.08335  -0.00087   0.00256  -0.01514  -0.01223  -3.09558
   D55       -2.98055  -0.00199  -0.00832  -0.03354  -0.04193  -3.02248
   D56        0.11541  -0.00134  -0.00613  -0.02341  -0.02940   0.08600
   D57        3.07886   0.00127  -0.00430   0.02903   0.02446   3.10333
   D58        0.44711  -0.00557  -0.05040  -0.07309  -0.12886   0.31825
   D59        0.49200   0.00056   0.06474  -0.05388   0.01758   0.50958
   D60       -0.12219   0.00217   0.00479   0.03832   0.04306  -0.07913
   D61       -2.75395  -0.00466  -0.04131  -0.06380  -0.11026  -2.86421
   D62       -2.70906   0.00146   0.07384  -0.04460   0.03618  -2.67288
   D63        3.04746   0.00055   0.00654   0.00823   0.01493   3.06239
   D64       -0.04942   0.00007   0.00454  -0.00139   0.00303  -0.04639
   D65       -0.02583  -0.00003   0.00113  -0.00279  -0.00168  -0.02750
   D66        3.12847  -0.00016   0.00214  -0.00657  -0.00444   3.12403
   D67        3.04602   0.00067   0.00198   0.01079   0.01275   3.05876
   D68       -0.08287   0.00054   0.00299   0.00701   0.00998  -0.07289
   D69        0.04935  -0.00073  -0.00217  -0.01199  -0.01418   0.03516
   D70       -3.11588  -0.00096   0.00104  -0.02012  -0.01904  -3.13492
   D71       -3.10507  -0.00057  -0.00318  -0.00814  -0.01136  -3.11642
   D72        0.01289  -0.00080   0.00004  -0.01627  -0.01621  -0.00332
   D73        2.59572  -0.00060   0.03669  -0.05300  -0.01631   2.57941
   D74       -0.54925  -0.00063   0.03715  -0.05414  -0.01700  -0.56625
   D75       -0.53268  -0.00076   0.03774  -0.05697  -0.01922  -0.55190
   D76        2.60553  -0.00079   0.03820  -0.05811  -0.01991   2.58562
   D77       -0.01834   0.00065   0.00321   0.01020   0.01342  -0.00492
   D78       -3.01314  -0.00311  -0.00401  -0.05682  -0.06075  -3.07389
   D79       -3.13691   0.00090   0.00009   0.01814   0.01823  -3.11868
   D80        0.15147  -0.00285  -0.00713  -0.04888  -0.05595   0.09553
   D81        0.06911  -0.00214  -0.00272  -0.03024  -0.03272   0.03639
   D82       -3.06083  -0.00244  -0.00531  -0.03614  -0.04141  -3.10224
   D83        2.73709   0.00549   0.03787   0.07763   0.11512   2.85220
   D84       -0.39285   0.00520   0.03529   0.07173   0.10643  -0.28642
   D85        2.74582  -0.00177  -0.07926   0.04552  -0.03205   2.71378
   D86       -0.38412  -0.00206  -0.08184   0.03963  -0.04073  -0.42485
   D87        0.00312   0.00021   0.00102   0.00246   0.00364   0.00676
   D88        3.13250   0.00036  -0.00104   0.00683   0.00573   3.13823
   D89        3.13313   0.00054   0.00359   0.00840   0.01230  -3.13776
   D90       -0.02068   0.00068   0.00152   0.01277   0.01439  -0.00629
   D91       -3.13214  -0.00029   0.00113  -0.00547  -0.00430  -3.13644
   D92        0.09239  -0.00138  -0.00156  -0.02712  -0.02861   0.06378
   D93        0.02122  -0.00058  -0.00149  -0.01144  -0.01306   0.00816
   D94       -3.03743  -0.00168  -0.00418  -0.03309  -0.03738  -3.07480
   D95       -0.01115   0.00094  -0.00191   0.01288   0.01075  -0.00040
   D96       -3.14045   0.00080   0.00019   0.00845   0.00863  -3.13182
   D97       -0.00057  -0.00027   0.00026  -0.00577  -0.00554  -0.00610
   D98        3.11625  -0.00020   0.00154  -0.00505  -0.00348   3.11278
   D99        3.12886  -0.00012  -0.00176  -0.00138  -0.00341   3.12545
   D100      -0.03751  -0.00006  -0.00047  -0.00066  -0.00135  -0.03886
   D101      -0.00099   0.00009  -0.00027   0.00323   0.00304   0.00205
   D102       3.13410  -0.00030   0.00201  -0.00866  -0.00659   3.12751
   D103       3.05470   0.00126   0.00263   0.02583   0.02846   3.08316
   D104      -0.09339   0.00086   0.00492   0.01395   0.01883  -0.07456
   D105      -0.01956   0.00027   0.00200   0.00354   0.00559  -0.01397
   D106       3.13121   0.00004   0.00154  -0.00123   0.00031   3.13152
   D107       3.12868   0.00066  -0.00032   0.01571   0.01543  -3.13908
   D108      -0.00374   0.00044  -0.00078   0.01094   0.01015   0.00641
   D109       0.01996  -0.00018  -0.00195  -0.00220  -0.00422   0.01574
   D110      -3.09515  -0.00027  -0.00333  -0.00305  -0.00649  -3.10164
   D111      -3.13087   0.00004  -0.00150   0.00261   0.00110  -3.12977
   D112       0.03720  -0.00005  -0.00287   0.00176  -0.00118   0.03602
   D113       0.25995   0.00177  -0.01992   0.05977   0.03988   0.29984
   D114      -2.88147   0.00177  -0.01998   0.05960   0.03965  -2.84182
   D115      -2.87210   0.00154  -0.02039   0.05481   0.03439  -2.83771
   D116       0.26967   0.00153  -0.02045   0.05464   0.03416   0.30383
   D117      -3.12369  -0.00026  -0.00071  -0.00458  -0.00527  -3.12896
   D118      -0.04004   0.00006   0.00195  -0.00210  -0.00012  -0.04016
   D119       0.01729  -0.00021  -0.00069  -0.00373  -0.00440   0.01289
   D120       3.10093   0.00010   0.00198  -0.00125   0.00075   3.10168
   D121      -3.13077  -0.00022  -0.00044  -0.00427  -0.00470  -3.13547
   D122      -0.05209   0.00012   0.00184  -0.00009   0.00178  -0.05032
   D123       0.01144  -0.00027  -0.00047  -0.00512  -0.00557   0.00587
   D124       3.09012   0.00008   0.00182  -0.00094   0.00091   3.09102
   D125      -3.12708  -0.00024  -0.00046  -0.00443  -0.00488  -3.13196
   D126      -0.04630   0.00017   0.00162   0.00088   0.00252  -0.04378
   D127       0.01781  -0.00021  -0.00091  -0.00333  -0.00423   0.01359
   D128       3.09860   0.00020   0.00117   0.00198   0.00317   3.10177
   D129      -3.12577  -0.00022  -0.00092  -0.00365  -0.00455  -3.13032
   D130      -0.04909   0.00010   0.00202  -0.00098   0.00107  -0.04802
   D131       0.01253  -0.00025  -0.00047  -0.00476  -0.00521   0.00732
   D132       3.08921   0.00007   0.00247  -0.00209   0.00041   3.08962
   D133       3.12566   0.00018   0.00073   0.00289   0.00360   3.12926
   D134       0.02656   0.00023  -0.00091   0.00621   0.00526   0.03182
   D135      -0.01610   0.00018   0.00079   0.00305   0.00383  -0.01227
   D136      -3.11520   0.00023  -0.00085   0.00637   0.00549  -3.10972
   D137       3.12793   0.00028   0.00059   0.00532   0.00589   3.13382
   D138       0.02402   0.00041  -0.00156   0.01104   0.00945   0.03347
   D139      -0.01350   0.00027   0.00053   0.00515   0.00567  -0.00784
   D140      -3.11740   0.00040  -0.00162   0.01087   0.00922  -3.10818
   D141      -0.03219   0.00048   0.00153   0.00808   0.00960  -0.02259
   D142       3.13372  -0.00039  -0.00448  -0.00283  -0.00722   3.12650
   D143      -3.11357   0.00010  -0.00057   0.00282   0.00223  -3.11134
   D144       0.05234  -0.00077  -0.00658  -0.00809  -0.01460   0.03775
   D145       0.01607  -0.00028  -0.00075  -0.00488  -0.00561   0.01046
   D146      -3.12217  -0.00030  -0.00095  -0.00483  -0.00577  -3.12794
   D147       3.13391   0.00053   0.00512   0.00555   0.01075  -3.13853
   D148      -0.00434   0.00052   0.00492   0.00560   0.01060   0.00626
   D149       0.01399  -0.00020  -0.00067  -0.00309  -0.00375   0.01024
   D150       3.13593   0.00062   0.00452   0.00827   0.01289  -3.13437
   D151      -3.13095  -0.00019  -0.00047  -0.00314  -0.00360  -3.13455
   D152      -0.00901   0.00063   0.00473   0.00822   0.01304   0.00403
   D153       1.19309  -0.00092  -0.03362   0.00076  -0.03286   1.16024
   D154      -1.95391  -0.00094  -0.03303  -0.00015  -0.03318  -1.98709
   D155      -1.94514  -0.00093  -0.03382   0.00083  -0.03299  -1.97813
   D156       1.19104  -0.00095  -0.03323  -0.00008  -0.03331   1.15773
   D157      -0.02844   0.00046   0.00126   0.00793   0.00919  -0.01925
   D158      -3.10552   0.00014  -0.00170   0.00518   0.00346  -3.10206
   D159       3.13332  -0.00041  -0.00407  -0.00394  -0.00792   3.12540
   D160       0.05624  -0.00073  -0.00703  -0.00669  -0.01365   0.04259
   D161      -0.02962   0.00047   0.00120   0.00845   0.00964  -0.01998
   D162       3.13661  -0.00045  -0.00427  -0.00431  -0.00849   3.12812
   D163      -3.11381   0.00019  -0.00147   0.00600   0.00451  -3.10930
   D164       0.05242  -0.00073  -0.00695  -0.00675  -0.01362   0.03880
   D165       0.01306  -0.00025  -0.00056  -0.00442  -0.00497   0.00809
   D166      -3.12596  -0.00027  -0.00068  -0.00460  -0.00527  -3.13123
   D167       3.13062   0.00061   0.00479   0.00777   0.01265  -3.13992
   D168      -0.00839   0.00059   0.00466   0.00759   0.01235   0.00395
   D169       0.01538  -0.00026  -0.00064  -0.00429  -0.00491   0.01047
   D170       3.13629   0.00059   0.00488   0.00711   0.01207  -3.13482
   D171      -3.12879  -0.00024  -0.00052  -0.00411  -0.00461  -3.13340
   D172      -0.00788   0.00061   0.00500   0.00729   0.01237   0.00449
   D173      -1.93137  -0.00084  -0.03472   0.00332  -0.03140  -1.96277
   D174       1.20939  -0.00083  -0.03469   0.00350  -0.03119   1.17820
   D175       1.21281  -0.00086  -0.03484   0.00315  -0.03168   1.18112
   D176      -1.92962  -0.00084  -0.03481   0.00333  -0.03148  -1.96109
   D177      -0.02779   0.00051   0.00114   0.00909   0.01022  -0.01757
   D178      -3.10689   0.00018  -0.00118   0.00488   0.00368  -3.10321
   D179       3.13502  -0.00039  -0.00452  -0.00282  -0.00724   3.12778
   D180       0.05591  -0.00073  -0.00683  -0.00703  -0.01378   0.04213
   D181       0.03124  -0.00046  -0.00152  -0.00781  -0.00931   0.02193
   D182      -3.13941   0.00053   0.00470   0.00519   0.00978  -3.12963
   D183       3.13144  -0.00052   0.00008  -0.01101  -0.01091   3.12052
   D184      -0.03922   0.00046   0.00629   0.00198   0.00818  -0.03104
   D185      -0.01652   0.00027   0.00088   0.00449   0.00536  -0.01117
   D186       3.12318   0.00027   0.00094   0.00449   0.00542   3.12859
   D187      -3.12970  -0.00064  -0.00520  -0.00791  -0.01321   3.14028
   D188       0.01000  -0.00065  -0.00514  -0.00791  -0.01315  -0.00315
   D189      -0.01271   0.00021   0.00047   0.00357   0.00403  -0.00867
   D190      -3.12744  -0.00074  -0.00493  -0.01031  -0.01535   3.14040
   D191       3.13078   0.00021   0.00041   0.00357   0.00397   3.13475
   D192       0.01604  -0.00074  -0.00499  -0.01031  -0.01541   0.00064
   D193       1.95019   0.00099   0.03298   0.00119   0.03417   1.98436
   D194      -1.19484   0.00097   0.03334   0.00043   0.03377  -1.16107
   D195      -1.19331   0.00099   0.03304   0.00118   0.03422  -1.15909
   D196       1.94485   0.00097   0.03340   0.00042   0.03382   1.97867
   D197       0.02798  -0.00048  -0.00118  -0.00845  -0.00961   0.01837
   D198       3.13254  -0.00060   0.00093  -0.01397  -0.01301   3.11953
   D199      -3.14114   0.00054   0.00436   0.00609   0.01033  -3.13080
   D200      -0.03658   0.00041   0.00646   0.00057   0.00694  -0.02964
   D201       3.14007   0.00003  -0.00022   0.00106   0.00083   3.14090
   D202       0.00694   0.00023   0.00748  -0.00562   0.00184   0.00878
   D203      -0.00081   0.00002  -0.00025   0.00091   0.00065  -0.00015
   D204      -3.13394   0.00021   0.00745  -0.00578   0.00167  -3.13228
   D205       3.14054   0.00004  -0.00013   0.00119   0.00105  -3.14159
   D206       0.00820   0.00023   0.00752  -0.00577   0.00173   0.00994
   D207      -0.00176   0.00006  -0.00010   0.00134   0.00123  -0.00053
   D208      -3.13410   0.00024   0.00755  -0.00562   0.00191  -3.13219
   D209       3.13463   0.00005   0.00023   0.00110   0.00132   3.13595
   D210       0.00377   0.00022   0.00782  -0.00604   0.00177   0.00554
   D211      -0.00234   0.00007  -0.00027   0.00189   0.00160  -0.00073
   D212      -3.13320   0.00024   0.00732  -0.00525   0.00205  -3.13114
   D213      -3.13748   0.00002  -0.00057   0.00119   0.00060  -3.13688
   D214       0.01499   0.00020   0.00700  -0.00571   0.00128   0.01627
   D215      -0.00051   0.00001  -0.00007   0.00040   0.00032  -0.00019
   D216      -3.13123   0.00019   0.00751  -0.00650   0.00100  -3.13023
   D217       3.13934  -0.00004   0.00038  -0.00125  -0.00086   3.13848
   D218      -0.01304  -0.00022  -0.00722   0.00557  -0.00164  -0.01468
   D219       0.00068  -0.00002   0.00007  -0.00059  -0.00051   0.00017
   D220       3.13149  -0.00020  -0.00753   0.00622  -0.00129   3.13020
   D221      -3.13652  -0.00004  -0.00002  -0.00100  -0.00101  -3.13753
   D222      -0.00481  -0.00022  -0.00769   0.00589  -0.00179  -0.00659
   D223       0.00213  -0.00006   0.00029  -0.00166  -0.00136   0.00077
   D224       3.13385  -0.00024  -0.00738   0.00523  -0.00214   3.13171
   D225       0.00418  -0.00012   0.00050  -0.00336  -0.00284   0.00134
   D226      -3.11283  -0.00027  -0.00009  -0.00661  -0.00671  -3.11954
   D227       3.13584  -0.00024  -0.00652   0.00337  -0.00313   3.13271
   D228       0.01883  -0.00040  -0.00711   0.00012  -0.00700   0.01183
   D229       3.11704   0.00017  -0.00276   0.00896   0.00621   3.12326
   D230      -0.04810   0.00065   0.00041   0.01584   0.01630  -0.03181
   D231      -0.01253   0.00035   0.00574   0.00092   0.00666  -0.00587
   D232       3.10551   0.00083   0.00891   0.00779   0.01674   3.12225
   D233      -0.00441   0.00012  -0.00054   0.00353   0.00298  -0.00143
   D234       3.10674   0.00039   0.00009   0.00816   0.00823   3.11497
   D235       3.10706   0.00038   0.00022   0.00777   0.00796   3.11503
   D236      -0.06497   0.00065   0.00086   0.01240   0.01321  -0.05176
   D237      -0.00988   0.00012   0.00300  -0.00105   0.00198  -0.00790
   D238       3.13068   0.00014   0.00196   0.00033   0.00230   3.13298
   D239      -3.11856  -0.00014   0.00217  -0.00556  -0.00337  -3.12193
   D240       0.02200  -0.00012   0.00112  -0.00418  -0.00305   0.01895
   D241       0.00307  -0.00008   0.00037  -0.00245  -0.00206   0.00101
   D242       3.13459  -0.00022  -0.00663   0.00406  -0.00255   3.13204
   D243      -3.11368  -0.00025  -0.00011  -0.00602  -0.00614  -3.11982
   D244       0.01784  -0.00038  -0.00712   0.00049  -0.00664   0.01121
   D245      -3.11835  -0.00015   0.00238  -0.00611  -0.00371  -3.12206
   D246       0.02176  -0.00013   0.00121  -0.00442  -0.00321   0.01855
   D247      -0.01002   0.00012   0.00307  -0.00117   0.00193  -0.00809
   D248       3.13009   0.00015   0.00190   0.00052   0.00243   3.13252
   D249       3.11796   0.00014  -0.00280   0.00846   0.00566   3.12362
   D250      -0.04306   0.00057   0.00044   0.01401   0.01449  -0.02857
   D251      -0.01145   0.00033   0.00568   0.00067   0.00636  -0.00509
   D252       3.11072   0.00076   0.00893   0.00623   0.01519   3.12591
   D253       0.00298  -0.00008   0.00050  -0.00273  -0.00222   0.00076
   D254      -3.11452  -0.00024  -0.00002  -0.00616  -0.00619  -3.12071
   D255       3.13674  -0.00024  -0.00663   0.00356  -0.00305   3.13369
   D256       0.01925  -0.00040  -0.00715   0.00013  -0.00702   0.01223
   D257       3.11920   0.00014  -0.00291   0.00854   0.00563   3.12483
   D258      -0.04455   0.00061   0.00030   0.01500   0.01534  -0.02921
   D259      -0.01292   0.00035   0.00572   0.00100   0.00672  -0.00620
   D260       3.10651   0.00082   0.00893   0.00746   0.01643   3.12294
   D261      -0.00397   0.00011  -0.00055   0.00348   0.00291  -0.00106
   D262       3.10764   0.00038   0.00011   0.00800   0.00809   3.11573
   D263       3.10807   0.00038   0.00011   0.00793   0.00802   3.11610
   D264      -0.06349   0.00065   0.00078   0.01245   0.01320  -0.05030
   D265      -0.01016   0.00013   0.00307  -0.00110   0.00199  -0.00816
   D266       3.13065   0.00015   0.00194   0.00036   0.00230   3.13296
   D267      -3.11947  -0.00014   0.00234  -0.00585  -0.00350  -3.12296
   D268       0.02134  -0.00012   0.00121  -0.00440  -0.00318   0.01815
   D269       0.00356  -0.00010   0.00041  -0.00299  -0.00257   0.00099
   D270       3.13657  -0.00025  -0.00667   0.00357  -0.00309   3.13349
   D271      -3.11359  -0.00027  -0.00011  -0.00647  -0.00659  -3.12018
   D272       0.01943  -0.00041  -0.00719   0.00009  -0.00710   0.01232
   D273      -3.11903  -0.00014   0.00234  -0.00590  -0.00353  -3.12256
   D274       0.02145  -0.00012   0.00119  -0.00429  -0.00309   0.01836
   D275      -0.01018   0.00013   0.00307  -0.00108   0.00202  -0.00816
   D276       3.13029   0.00015   0.00192   0.00054   0.00246   3.13276
   D277       3.11807   0.00016  -0.00280   0.00887   0.00608   3.12415
   D278      -0.04521   0.00062   0.00043   0.01503   0.01550  -0.02970
   D279      -0.01315   0.00036   0.00577   0.00102   0.00679  -0.00636
   D280       3.10676   0.00081   0.00900   0.00718   0.01621   3.12297
   D281      -0.00314   0.00008  -0.00040   0.00253   0.00212  -0.00102
   D282       3.11328   0.00025   0.00013   0.00611   0.00625   3.11954
   D283      -3.13473   0.00022   0.00663  -0.00390   0.00271  -3.13202
   D284      -0.01831   0.00039   0.00716  -0.00033   0.00684  -0.01147
   D285      -3.11768  -0.00014   0.00278  -0.00845  -0.00567  -3.12335
   D286       0.04387  -0.00059  -0.00042  -0.01444  -0.01490   0.02896
   D287       0.01182  -0.00034  -0.00573  -0.00076  -0.00648   0.00534
   D288      -3.10982  -0.00079  -0.00893  -0.00675  -0.01572  -3.12553
   D289       0.00436  -0.00011   0.00057  -0.00348  -0.00290   0.00146
   D290      -3.10771  -0.00037  -0.00015  -0.00765  -0.00778  -3.11549
   D291      -3.10639  -0.00039  -0.00011  -0.00813  -0.00821  -3.11460
   D292       0.06473  -0.00064  -0.00084  -0.01230  -0.01310   0.05164
   D293       0.01017  -0.00013  -0.00308   0.00108  -0.00203   0.00814
   D294      -3.12989  -0.00015  -0.00193  -0.00051  -0.00245  -3.13234
   D295       3.11807   0.00015  -0.00234   0.00603   0.00368   3.12175
   D296      -0.02199   0.00013  -0.00119   0.00444   0.00325  -0.01874
   D297      -0.00402   0.00010  -0.00053   0.00319   0.00264  -0.00138
   D298      -3.13647   0.00025   0.00656  -0.00331   0.00324  -3.13323
   D299       3.11347   0.00026   0.00003   0.00639   0.00643   3.11990
   D300      -0.01897   0.00040   0.00712  -0.00011   0.00702  -0.01195
   D301       3.11942   0.00013  -0.00228   0.00549   0.00319   3.12261
   D302      -0.02129   0.00011  -0.00118   0.00412   0.00294  -0.01836
   D303       0.01009  -0.00013  -0.00307   0.00105  -0.00205   0.00804
   D304      -3.13063  -0.00015  -0.00197  -0.00032  -0.00230  -3.13293
   D305      -3.11800  -0.00015   0.00290  -0.00870  -0.00581  -3.12380
   D306       0.04689  -0.00063  -0.00031  -0.01549  -0.01584   0.03105
   D307       0.01253  -0.00035  -0.00569  -0.00093  -0.00662   0.00591
   D308      -3.10577  -0.00083  -0.00890  -0.00772  -0.01665  -3.12242
   D309      -0.00333   0.00016   0.00205   0.00062   0.00267  -0.00066
   D310      -3.13374  -0.00018   0.00077  -0.00591  -0.00514  -3.13888
   D311       3.13974   0.00013   0.00322  -0.00106   0.00217  -3.14127
   D312       0.00933  -0.00021   0.00195  -0.00759  -0.00564   0.00370
   D313       0.00985  -0.00022  -0.00350   0.00055  -0.00295   0.00690
   D314      -3.13401  -0.00030  -0.00247  -0.00419  -0.00667  -3.14068
   D315       3.14029   0.00012  -0.00222   0.00706   0.00484  -3.13806
   D316      -0.00358   0.00004  -0.00119   0.00232   0.00113  -0.00245
   D317      -0.00243  -0.00001  -0.00036  -0.00114  -0.00151  -0.00394
   D318      -3.12433  -0.00048  -0.00364  -0.00698  -0.01058  -3.13490
   D319       3.14144   0.00006  -0.00139   0.00362   0.00220  -3.13954
   D320       0.01955  -0.00041  -0.00467  -0.00222  -0.00687   0.01269
   D321      -0.00236  -0.00001  -0.00043  -0.00101  -0.00145  -0.00381
   D322       3.13929   0.00010  -0.00152   0.00458   0.00303  -3.14087
   D323      -3.12008  -0.00054  -0.00364  -0.00822  -0.01181  -3.13189
   D324       0.02156  -0.00043  -0.00473  -0.00264  -0.00734   0.01423
   D325       0.01088  -0.00023  -0.00348   0.00018  -0.00331   0.00757
   D326       3.13948   0.00014  -0.00230   0.00747   0.00518  -3.13853
   D327      -3.13076  -0.00034  -0.00239  -0.00538  -0.00778  -3.13854
   D328      -0.00216   0.00003  -0.00121   0.00191   0.00071  -0.00145
   D329      -0.00445   0.00018   0.00211   0.00086   0.00297  -0.00148
   D330       3.13817   0.00015   0.00316  -0.00051   0.00266   3.14083
   D331      -3.13302  -0.00019   0.00092  -0.00646  -0.00554  -3.13856
   D332       0.00960  -0.00022   0.00197  -0.00783  -0.00585   0.00375
   D333      -0.00438   0.00017   0.00209   0.00087   0.00295  -0.00143
   D334      -3.13369  -0.00019   0.00084  -0.00611  -0.00527  -3.13897
   D335       3.13832   0.00015   0.00325  -0.00074   0.00252   3.14084
   D336       0.00901  -0.00021   0.00200  -0.00772  -0.00571   0.00330
   D337       0.01079  -0.00023  -0.00352   0.00025  -0.00328   0.00751
   D338      -3.13225  -0.00032  -0.00245  -0.00478  -0.00723  -3.13948
   D339       3.14013   0.00013  -0.00227   0.00720   0.00493  -3.13813
   D340      -0.00291   0.00004  -0.00120   0.00218   0.00098  -0.00193
   D341      -0.00200  -0.00001  -0.00039  -0.00113  -0.00154  -0.00354
   D342      -3.12159  -0.00051  -0.00368  -0.00760  -0.01123  -3.13282
   D343       3.14104   0.00007  -0.00146   0.00392   0.00242  -3.13972
   D344       0.02145  -0.00043  -0.00475  -0.00255  -0.00727   0.01417
   D345      -0.00213  -0.00001  -0.00037  -0.00114  -0.00153  -0.00366
   D346       3.14044   0.00008  -0.00146   0.00414   0.00265  -3.14009
   D347      -3.12126  -0.00052  -0.00363  -0.00792  -0.01150  -3.13276
   D348       0.02132  -0.00043  -0.00471  -0.00264  -0.00732   0.01400
   D349       0.01079  -0.00023  -0.00351   0.00027  -0.00325   0.00754
   D350       3.13974   0.00013  -0.00229   0.00740   0.00511  -3.13834
   D351      -3.13178  -0.00033  -0.00242  -0.00499  -0.00742  -3.13920
   D352      -0.00283   0.00004  -0.00121   0.00214   0.00093  -0.00190
   D353      -0.00433   0.00017   0.00207   0.00086   0.00294  -0.00139
   D354       3.13805   0.00015   0.00321  -0.00059   0.00263   3.14067
   D355      -3.13325  -0.00019   0.00086  -0.00629  -0.00543  -3.13869
   D356       0.00912  -0.00021   0.00199  -0.00774  -0.00574   0.00338
   D357       0.00432  -0.00017  -0.00205  -0.00088  -0.00293   0.00139
   D358       3.13314   0.00019  -0.00089   0.00637   0.00548   3.13862
   D359      -3.13815  -0.00016  -0.00315   0.00049  -0.00267  -3.14082
   D360      -0.00933   0.00021  -0.00199   0.00773   0.00573  -0.00360
   D361      -0.01090   0.00024   0.00349  -0.00015   0.00334  -0.00756
   D362       3.13136   0.00033   0.00235   0.00517   0.00753   3.13889
   D363      -3.13975  -0.00013   0.00233  -0.00737  -0.00505   3.13839
   D364       0.00251  -0.00003   0.00120  -0.00205  -0.00086   0.00165
   D365       0.00244   0.00001   0.00037   0.00100   0.00138   0.00383
   D366       3.12043   0.00053   0.00362   0.00812   0.01169   3.13212
   D367      -3.13982  -0.00009   0.00150  -0.00435  -0.00281   3.14055
   D368      -0.02184   0.00044   0.00475   0.00278   0.00750  -0.01434
   D369       0.00246   0.00001   0.00038   0.00106   0.00145   0.00392
   D370      -3.14138  -0.00007   0.00144  -0.00389  -0.00241   3.13939
   D371       3.12384   0.00050   0.00363   0.00734   0.01092   3.13476
   D372      -0.02000   0.00041   0.00469   0.00239   0.00705  -0.01295
   D373      -0.01018   0.00022   0.00350  -0.00040   0.00310  -0.00708
   D374      -3.14058  -0.00012   0.00226  -0.00712  -0.00486   3.13774
   D375       3.13365   0.00031   0.00243   0.00453   0.00697   3.14062
   D376       0.00325  -0.00004   0.00119  -0.00219  -0.00100   0.00225
   D377       0.00355  -0.00016  -0.00206  -0.00069  -0.00274   0.00081
   D378      -3.13956  -0.00014  -0.00321   0.00090  -0.00232   3.14130
   D379       3.13393   0.00019  -0.00081   0.00606   0.00525   3.13918
   D380      -0.00919   0.00021  -0.00197   0.00764   0.00567  -0.00352
         Item               Value     Threshold  Converged?
 Maximum Force            0.009003     0.000450     NO 
 RMS     Force            0.001414     0.000300     NO 
 Maximum Displacement     0.601907     0.001800     NO 
 RMS     Displacement     0.103734     0.001200     NO 
 Predicted change in Energy=-5.337171D-03
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C74H46ClN5
 Framework group  C1[X(C74H46ClN5)]
 Deg. of freedom   372
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        1.251091    2.433991    0.032036
      2          6           0        1.591631    1.081904    0.022261
      3          6           0        0.630894    0.056834    0.106627
      4          6           0       -0.728847    0.427186    0.171914
      5          6           0       -1.081388    1.790176    0.184683
      6          6           0       -0.115203    2.773750    0.122996
      7          6           0        1.000329   -1.369745    0.134471
      8          6           0       -0.005384   -2.378214    0.181028
      9          6           0       -1.397934   -1.990247    0.132552
     10          6           0       -1.772262   -0.595209    0.177473
     11          6           0        2.341432   -1.776111    0.150329
     12          6           0        2.727196   -3.118696    0.221438
     13          6           0        1.714538   -4.089792    0.313076
     14          6           0        0.378805   -3.734691    0.290988
     15          7           0       -2.396257   -2.887468   -0.003140
     16          6           0       -3.708129   -2.510952   -0.003274
     17          6           0       -4.018156   -1.129630    0.099060
     18          7           0       -3.035235   -0.206320    0.186759
     19          6           0       -4.746596   -3.463219   -0.098827
     20          6           0       -6.049252   -3.024091   -0.100205
     21          6           0       -6.401844   -1.640348   -0.011310
     22          6           0       -5.371402   -0.720122    0.096438
     23          6           0        2.297316    3.487363   -0.055573
     24          6           0        4.163046   -3.498930    0.212995
     25          6           0       -7.829954   -1.213396   -0.029599
     26          6           0        4.615584   -4.629559    0.913551
     27          6           0        5.962454   -4.979397    0.915045
     28          6           0        6.888800   -4.220803    0.192094
     29          6           0        6.450186   -3.100467   -0.521666
     30          6           0        5.106626   -2.740052   -0.500400
     31          6           0        2.040848    4.705092   -0.706647
     32          6           0        3.021902    5.687651   -0.803923
     33          6           0        4.280684    5.485314   -0.229587
     34          6           0        4.546073    4.283003    0.434111
     35          6           0        3.569323    3.294836    0.509586
     36          6           0       -8.870979   -2.123189    0.223077
     37          6           0      -10.202793   -1.718443    0.219613
     38          6           0      -10.536420   -0.391640   -0.063540
     39          6           0       -9.513989    0.525447   -0.329679
     40          6           0       -8.184596    0.120777   -0.301626
     41          7           0        5.278894    6.492326   -0.317143
     42          7           0        8.260992   -4.586062    0.179126
     43          7           0      -11.894388    0.020953   -0.083402
     44          6           0        8.791595   -5.742235   -0.395967
     45          6           0       10.195774   -5.745337   -0.209765
     46          6           0       10.524783   -4.536133    0.512156
     47          6           0        9.307197   -3.846806    0.733389
     48          6           0        6.467547    6.401817   -1.042720
     49          6           0        7.196902    7.605655   -0.882350
     50          6           0        6.410527    8.459182   -0.019388
     51          6           0        5.235178    7.739404    0.307864
     52          6           0      -12.488859    0.911491    0.812608
     53          6           0      -13.852038    1.072834    0.463503
     54          6           0      -14.088199    0.242169   -0.696716
     55          6           0      -12.859352   -0.391652   -1.004219
     56          6           0       11.716800   -3.992737    1.007288
     57          6           0       11.676951   -2.784493    1.695749
     58          6           0       10.460192   -2.110228    1.895886
     59          6           0        9.260079   -2.631961    1.420595
     60          6           0        8.133250   -6.771021   -1.072975
     61          6           0        8.907180   -7.813869   -1.574689
     62          6           0       10.302899   -7.829299   -1.410177
     63          6           0       10.951472   -6.803093   -0.730834
     64          6           0        6.600309    9.737805    0.519697
     65          6           0        5.625210   10.272990    1.355243
     66          6           0        4.460265    9.547579    1.658716
     67          6           0        4.250007    8.271965    1.142075
     68          6           0        6.939885    5.350934   -1.831893
     69          6           0        8.163304    5.522935   -2.473740
     70          6           0        8.896173    6.714309   -2.336428
     71          6           0        8.421619    7.755359   -1.545015
     72          6           0      -15.203726   -0.001448   -1.507605
     73          6           0      -15.079514   -0.867475   -2.589257
     74          6           0      -13.854367   -1.495695   -2.871201
     75          6           0      -12.728233   -1.265387   -2.085564
     76          6           0      -11.922401    1.569993    1.905960
     77          6           0      -12.748349    2.398573    2.660784
     78          6           0      -14.106026    2.563170    2.337073
     79          6           0      -14.662529    1.906601    1.244078
     80          1           0       -2.251855   -4.005207    0.214313
     81          1           0        2.636193    0.823298   -0.099923
     82          1           0       -2.130378    2.051780    0.247117
     83          1           0       -0.415720    3.815289    0.174027
     84          1           0        3.121276   -1.025399    0.158984
     85          1           0        1.964231   -5.143735    0.376801
     86          1           0       -0.370690   -4.511249    0.428668
     87          1           0       -4.494199   -4.518605   -0.113183
     88          1           0       -6.827872   -3.772406   -0.187919
     89          1           0       -5.548019    0.343220    0.204964
     90          1           0        3.920128   -5.216215    1.504597
     91          1           0        6.306051   -5.845952    1.469883
     92          1           0        7.170223   -2.518258   -1.086811
     93          1           0        4.780937   -1.889364   -1.090777
     94          1           0        1.081591    4.871552   -1.186108
     95          1           0        2.819849    6.620673   -1.319340
     96          1           0        5.521529    4.131690    0.884100
     97          1           0        3.783971    2.384396    1.060213
     98          1           0       -8.654506   -3.156595    0.467278
     99          1           0      -10.993879   -2.430968    0.427480
    100          1           0       -9.771815    1.555708   -0.550779
    101          1           0       -7.419993    0.853540   -0.533309
    102          1           0       12.661937   -4.506511    0.857914
    103          1           0       12.596442   -2.354506    2.080922
    104          1           0       10.457021   -1.168425    2.435816
    105          1           0        8.320559   -2.110195    1.568587
    106          1           0        7.054966   -6.762065   -1.191346
    107          1           0        8.425449   -8.628443   -2.106458
    108          1           0       10.880082   -8.654868   -1.815128
    109          1           0       12.030407   -6.824175   -0.608169
    110          1           0        7.496803   10.306447    0.290558
    111          1           0        5.762658   11.264446    1.775746
    112          1           0        3.714135    9.989276    2.311918
    113          1           0        3.347999    7.713284    1.368350
    114          1           0        6.376335    4.429149   -1.929902
    115          1           0        8.557472    4.725248   -3.095679
    116          1           0        9.845879    6.820426   -2.851678
    117          1           0        8.995730    8.671803   -1.444541
    118          1           0      -16.154927    0.478732   -1.297405
    119          1           0      -15.939645   -1.064487   -3.221739
    120          1           0      -13.785057   -2.169014   -3.719867
    121          1           0      -11.784009   -1.756118   -2.296489
    122          1           0      -10.872709    1.446522    2.150463
    123          1           0      -12.338924    2.923170    3.518449
    124          1           0      -14.726158    3.213286    2.946559
    125          1           0      -15.712864    2.039994    1.002149
    126         17           0       -2.294442   -5.632226    0.936636
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           0.0228823           0.0074285           0.0057645
 Standard basis: 6-31G(d,p) (6D, 7F)
 There are  1434 symmetry adapted cartesian basis functions of A   symmetry.
 There are  1434 symmetry adapted basis functions of A   symmetry.
  1434 basis functions,  2586 primitive gaussians,  1434 cartesian basis functions
   271 alpha electrons      271 beta electrons
       nuclear repulsion energy     10546.8527104538 Hartrees.
 NAtoms=  126 NActive=  126 NUniq=  126 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=T Big=T
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 One-electron integrals computed using PRISM.
 NBasis=  1434 RedAO= T EigKep=  1.55D-04  NBF=  1434
 NBsUse=  1434 1.00D-06 EigRej= -1.00D+00 NBFU=  1434
 Initial guess from the checkpoint file:  "ph.chk"
 B after Tr=    -0.000000   -0.000000    0.000000
         Rot=    0.999993    0.003305    0.000006    0.001499 Ang=   0.42 deg.
 ExpMin= 1.43D-01 ExpMax= 2.52D+04 ExpMxC= 3.78D+03 IAcc=2 IRadAn=         4 AccDes= 0.00D+00
 Harris functional with IExCor=  402 and IRadAn=       4 diagonalized for initial guess.
 HarFok:  IExCor=  402 AccDes= 0.00D+00 IRadAn=         4 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=        2001
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Petite list used in FoFCou.
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Integral accuracy reduced to 1.0D-05 until final iterations.
 Initial convergence to 1.0D-05 achieved.  Increase integral accuracy.
 SCF Done:  E(RB3LYP) =  -3581.77328904     A.U. after   12 cycles
            NFock= 12  Conv=0.60D-08     -V/T= 2.0088
 Calling FoFJK, ICntrl=      2127 FMM=T ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.001684610    0.002071843   -0.000161703
      2        6          -0.000791992   -0.002048492    0.001278260
      3        6          -0.001733761   -0.001284012    0.000214774
      4        6           0.002261388    0.001734101   -0.000290698
      5        6           0.000022099   -0.000570832   -0.000023068
      6        6           0.000532620    0.000824732   -0.001269543
      7        6           0.000104961    0.000922496   -0.000082673
      8        6          -0.000481330   -0.003477488   -0.000677061
      9        6           0.005761155    0.002763971    0.005269926
     10        6          -0.002758312   -0.001703219    0.001093342
     11        6          -0.001480239   -0.000146696   -0.001011830
     12        6          -0.002568436    0.000254431    0.000392515
     13        6           0.003103214   -0.001510559    0.001357624
     14        6          -0.002362196    0.001957442   -0.002522011
     15        7          -0.002153574   -0.006606725   -0.011600033
     16        6          -0.001879455   -0.003817946    0.002069622
     17        6          -0.000361236    0.001787204    0.000760421
     18        7           0.001495696    0.003419877    0.000674067
     19        6           0.001472077   -0.000179372   -0.002035173
     20        6          -0.000333731   -0.001979748    0.001445660
     21        6           0.002105545    0.002094257   -0.000163682
     22        6           0.000051509    0.000896117   -0.001294041
     23        6           0.002943581   -0.002048520    0.000036162
     24        6           0.002785864    0.001854014   -0.000167691
     25        6          -0.003392868   -0.001845370   -0.000006300
     26        6          -0.001196118   -0.000249924   -0.001342404
     27        6           0.001044450   -0.001677873    0.001723118
     28        6           0.000166866    0.000173764    0.000008991
     29        6          -0.000950642    0.001415893   -0.001849790
     30        6          -0.000606982   -0.000781564    0.001288738
     31        6          -0.001178523    0.000505422    0.001314214
     32        6           0.000980812    0.001535262   -0.001765825
     33        6           0.000187658   -0.000173072    0.000004306
     34        6          -0.001015863   -0.001327420    0.001893721
     35        6          -0.000520129    0.000671183   -0.001373178
     36        6           0.001362304    0.000411695   -0.001336475
     37        6           0.000437877   -0.001085592    0.002488676
     38        6          -0.000092118    0.000123497    0.000007432
     39        6          -0.000370658    0.000826403   -0.002550712
     40        6           0.000648337    0.000532129    0.001243765
     41        7           0.001681911   -0.000925362    0.000050957
     42        7           0.001549176    0.001003572   -0.000123707
     43        7          -0.001647703   -0.001061248   -0.000136328
     44        6           0.001478266   -0.002021684   -0.000184750
     45        6          -0.001200173   -0.001082123    0.002387452
     46        6          -0.001605025   -0.000587851   -0.002377776
     47        6          -0.000987314    0.002292546    0.000259468
     48        6          -0.001042735   -0.002334778   -0.000035381
     49        6          -0.001588283    0.000667883    0.002340438
     50        6          -0.001255273    0.000909773   -0.002480978
     51        6           0.001424380    0.002049470    0.000054313
     52        6          -0.001597613    0.001874723   -0.000683066
     53        6           0.001773497    0.000392713   -0.002292556
     54        6           0.000940435    0.001409609    0.002341867
     55        6           0.001155605   -0.002186345    0.000747825
     56        6          -0.000078908    0.000047144    0.000514080
     57        6          -0.000789523    0.000312244   -0.000032558
     58        6          -0.000382404   -0.000837205   -0.000036341
     59        6           0.000452679    0.001058140    0.000330637
     60        6           0.001175843   -0.000134655   -0.000375512
     61        6          -0.000902769    0.000055391    0.000022114
     62        6          -0.000118335   -0.000836849    0.000015261
     63        6           0.000003407   -0.000120835   -0.000467079
     64        6          -0.000002616    0.000141071    0.000492528
     65        6          -0.000126664    0.000834696   -0.000082227
     66        6          -0.000917896   -0.000099782   -0.000025591
     67        6           0.001161957    0.000198380    0.000326330
     68        6           0.000495835   -0.001077881   -0.000288636
     69        6          -0.000409074    0.000827435   -0.000024315
     70        6          -0.000783446   -0.000340057    0.000047646
     71        6          -0.000083951   -0.000083896   -0.000494055
     72        6           0.000207650   -0.000197088   -0.000390518
     73        6           0.000767003   -0.000210384    0.000293402
     74        6           0.000348150    0.000825623   -0.000171994
     75        6          -0.000329661   -0.001187742   -0.000056223
     76        6          -0.001200795    0.000153198   -0.000023265
     77        6           0.000900811   -0.000013097    0.000207909
     78        6           0.000099560    0.000795862   -0.000297202
     79        6          -0.000121436    0.000247454    0.000436442
     80        1          -0.000546925    0.004544382   -0.000354403
     81        1           0.000336121    0.000303411   -0.000628714
     82        1           0.000476679   -0.000353858    0.000018030
     83        1          -0.000702481   -0.000121640    0.000387605
     84        1           0.000198125   -0.000283177    0.000362329
     85        1          -0.000922888    0.000110747   -0.000193007
     86        1          -0.001504068    0.000233971    0.003291775
     87        1          -0.000050938    0.000452714    0.001392220
     88        1           0.000382984    0.000772533    0.000222708
     89        1           0.000564515   -0.000104704    0.000042157
     90        1           0.000329483    0.000172198    0.000416044
     91        1           0.000025020    0.000159720   -0.000811149
     92        1           0.000172185   -0.000022027    0.000878899
     93        1           0.000156125    0.000047687   -0.000438581
     94        1           0.000273865   -0.000206836   -0.000372709
     95        1           0.000043625   -0.000146948    0.000858500
     96        1           0.000183788   -0.000018870   -0.000859637
     97        1           0.000211792   -0.000054785    0.000420599
     98        1          -0.000474238   -0.000132389   -0.000238869
     99        1           0.000007577   -0.000267851   -0.000782647
    100        1          -0.000300025    0.000099788    0.000819540
    101        1          -0.000173969   -0.000312594    0.000318881
    102        1           0.000179665   -0.000294876    0.000250100
    103        1           0.000062386    0.000027858   -0.000075302
    104        1           0.000352228    0.000404070    0.000011207
    105        1           0.000066360   -0.000222108   -0.000814372
    106        1          -0.000188980    0.000185241    0.000878793
    107        1           0.000517980    0.000119878   -0.000003606
    108        1           0.000056302    0.000036325    0.000072191
    109        1          -0.000173138    0.000296909   -0.000249614
    110        1          -0.000167678   -0.000284473    0.000263890
    111        1           0.000055533   -0.000044421   -0.000068654
    112        1           0.000527827   -0.000099507    0.000022805
    113        1          -0.000182646   -0.000223220   -0.000857504
    114        1           0.000078575    0.000295532    0.000833878
    115        1           0.000369011   -0.000392380    0.000018843
    116        1           0.000065032   -0.000021229    0.000073939
    117        1           0.000177662    0.000287292   -0.000267988
    118        1          -0.000119806    0.000182585   -0.000367507
    119        1          -0.000076774   -0.000013469    0.000061639
    120        1          -0.000338581   -0.000410930    0.000050065
    121        1          -0.000271894    0.000517113    0.000703884
    122        1           0.000369828   -0.000411840   -0.000679188
    123        1          -0.000511107   -0.000148354   -0.000067287
    124        1          -0.000036242   -0.000065331   -0.000061880
    125        1           0.000113217   -0.000187693    0.000365633
    126       17           0.002389079    0.000576184    0.002326412
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.011600033 RMS     0.001354915

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.007969452 RMS     0.000781751
 Search for a local minimum.
 Step number   9 out of a maximum of  756
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Update second derivatives using D2CorX and points    8    9
 DE= -5.72D-03 DEPred=-5.34D-03 R= 1.07D+00
 TightC=F SS=  1.41D+00  RLast= 3.99D-01 DXNew= 5.0454D+00 1.1973D+00
 Trust test= 1.07D+00 RLast= 3.99D-01 DXMaxT set to 3.00D+00
 ITU=  1  1  1  1  1  1  0  1  0
 Use linear search instead of GDIIS.
     Eigenvalues ---    0.00859   0.02284   0.02361   0.02576   0.02638
     Eigenvalues ---    0.02671   0.02677   0.02689   0.02692   0.02700
     Eigenvalues ---    0.02706   0.02707   0.02707   0.02709   0.02716
     Eigenvalues ---    0.02717   0.02726   0.02729   0.02741   0.02755
     Eigenvalues ---    0.02758   0.02764   0.02767   0.02768   0.02769
     Eigenvalues ---    0.02773   0.02783   0.02786   0.02786   0.02786
     Eigenvalues ---    0.02791   0.02792   0.02792   0.02793   0.02793
     Eigenvalues ---    0.02793   0.02793   0.02793   0.02799   0.02801
     Eigenvalues ---    0.02802   0.02802   0.02802   0.02802   0.02803
     Eigenvalues ---    0.02806   0.02808   0.02808   0.02808   0.02809
     Eigenvalues ---    0.02810   0.02816   0.02818   0.02818   0.02818
     Eigenvalues ---    0.02819   0.02819   0.02820   0.02827   0.02834
     Eigenvalues ---    0.02836   0.02840   0.02841   0.02845   0.02845
     Eigenvalues ---    0.02845   0.02845   0.02845   0.02852   0.02857
     Eigenvalues ---    0.02861   0.02863   0.02865   0.02868   0.02868
     Eigenvalues ---    0.02868   0.02872   0.02872   0.02876   0.02877
     Eigenvalues ---    0.02877   0.02877   0.02877   0.02879   0.02883
     Eigenvalues ---    0.02884   0.02884   0.02884   0.02885   0.02885
     Eigenvalues ---    0.02885   0.02885   0.02885   0.02885   0.02894
     Eigenvalues ---    0.02894   0.02895   0.02895   0.02897   0.02897
     Eigenvalues ---    0.02897   0.02898   0.02898   0.02900   0.02906
     Eigenvalues ---    0.02909   0.02909   0.02928   0.02941   0.02941
     Eigenvalues ---    0.02977   0.03025   0.03026   0.03026   0.03098
     Eigenvalues ---    0.03136   0.03136   0.03136   0.03149   0.03151
     Eigenvalues ---    0.03292   0.03404   0.03871   0.04999   0.09391
     Eigenvalues ---    0.15339   0.15765   0.15953   0.15974   0.15976
     Eigenvalues ---    0.15978   0.15981   0.15982   0.15983   0.15987
     Eigenvalues ---    0.15989   0.15994   0.15994   0.15997   0.15998
     Eigenvalues ---    0.15999   0.15999   0.15999   0.15999   0.15999
     Eigenvalues ---    0.15999   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16002   0.16029   0.16101
     Eigenvalues ---    0.16868   0.21997   0.22000   0.22000   0.22000
     Eigenvalues ---    0.22000   0.22000   0.22001   0.22002   0.22036
     Eigenvalues ---    0.22050   0.22370   0.22432   0.22531   0.22601
     Eigenvalues ---    0.22601   0.22603   0.22603   0.22603   0.22695
     Eigenvalues ---    0.22965   0.22969   0.23097   0.23424   0.23485
     Eigenvalues ---    0.23509   0.23857   0.24000   0.24006   0.24260
     Eigenvalues ---    0.24364   0.24494   0.24494   0.24495   0.24537
     Eigenvalues ---    0.24537   0.24610   0.24671   0.24753   0.24915
     Eigenvalues ---    0.24948   0.24985   0.24985   0.24987   0.24990
     Eigenvalues ---    0.24996   0.24996   0.24999   0.25000   0.25000
     Eigenvalues ---    0.25000   0.25000   0.25000   0.25000   0.25000
     Eigenvalues ---    0.25000   0.25001   0.25003   0.25049   0.25340
     Eigenvalues ---    0.26227   0.32843   0.33248   0.33252   0.33254
     Eigenvalues ---    0.33256   0.33257   0.33271   0.33294   0.33355
     Eigenvalues ---    0.33390   0.33393   0.33396   0.33399   0.33401
     Eigenvalues ---    0.33432   0.33562   0.33567   0.33570   0.33572
     Eigenvalues ---    0.33577   0.33610   0.33614   0.33627   0.33642
     Eigenvalues ---    0.33646   0.33651   0.33663   0.33688   0.33700
     Eigenvalues ---    0.33711   0.33729   0.33812   0.33829   0.33831
     Eigenvalues ---    0.33835   0.33840   0.33874   0.33929   0.33930
     Eigenvalues ---    0.33932   0.33935   0.33940   0.34047   0.34999
     Eigenvalues ---    0.35011   0.35185   0.44415   0.44417   0.44417
     Eigenvalues ---    0.45047   0.47821   0.48005   0.48453   0.48977
     Eigenvalues ---    0.48978   0.49281   0.49285   0.49500   0.49795
     Eigenvalues ---    0.49822   0.49824   0.49910   0.49953   0.49981
     Eigenvalues ---    0.50126   0.50391   0.50394   0.50616   0.50618
     Eigenvalues ---    0.50621   0.50835   0.51837   0.52311   0.52500
     Eigenvalues ---    0.52590   0.53070   0.53800   0.54097   0.54102
     Eigenvalues ---    0.54195   0.54198   0.54199   0.54420   0.54568
     Eigenvalues ---    0.54845   0.54974   0.55189   0.55253   0.55318
     Eigenvalues ---    0.55334   0.55350   0.55368   0.55387   0.55433
     Eigenvalues ---    0.55441   0.55654   0.55710   0.55710   0.55719
     Eigenvalues ---    0.55918   0.55945   0.55948   0.56142   0.56143
     Eigenvalues ---    0.56145   0.56146   0.56280   0.56281   0.56288
     Eigenvalues ---    0.56444   0.56662   0.56665   0.56669   0.56671
     Eigenvalues ---    0.56675   0.56678   0.56743   0.56769   0.56864
     Eigenvalues ---    0.56902   0.56905   0.57136   0.57169   0.57171
     Eigenvalues ---    0.57172   0.57182   0.57183   0.58465   0.61090
     Eigenvalues ---    0.64149   0.66083   0.66086   0.66386   0.67696
     Eigenvalues ---    0.67702   0.67709   0.70106   0.70131   0.70301
     Eigenvalues ---    0.73650   0.76243
 RFO step:  Lambda=-4.40326195D-03 EMin= 8.59387954D-03
 Quartic linear search produced a step of  0.28100.
 Iteration  1 RMS(Cart)=  0.13305523 RMS(Int)=  0.00276372
 Iteration  2 RMS(Cart)=  0.00742248 RMS(Int)=  0.00044614
 Iteration  3 RMS(Cart)=  0.00002495 RMS(Int)=  0.00044610
 Iteration  4 RMS(Cart)=  0.00000005 RMS(Int)=  0.00044610
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        2.63493   0.00131   0.00075   0.00210   0.00285   2.63778
    R2        2.66610   0.00046   0.00058   0.00094   0.00152   2.66762
    R3        2.81046  -0.00186  -0.00332  -0.00588  -0.00920   2.80126
    R4        2.65968  -0.00012   0.00049  -0.00001   0.00047   2.66016
    R5        2.04660  -0.00050  -0.00030  -0.00074  -0.00104   2.04555
    R6        2.66600   0.00138   0.00342   0.00410   0.00744   2.67344
    R7        2.78527  -0.00110  -0.00058  -0.00294  -0.00360   2.78167
    R8        2.66055  -0.00035   0.00007  -0.00083  -0.00076   2.65979
    R9        2.76058  -0.00046   0.00042  -0.00077  -0.00035   2.76023
   R10        2.60805   0.00078   0.00102   0.00183   0.00286   2.61091
   R11        2.04642   0.00023  -0.00038   0.00070   0.00032   2.04674
   R12        2.05078  -0.00018  -0.00004  -0.00045  -0.00049   2.05029
   R13        2.69287   0.00195   0.00034   0.00218   0.00253   2.69539
   R14        2.64828   0.00103   0.00121   0.00295   0.00402   2.65230
   R15        2.73329   0.00553  -0.00128   0.00901   0.00781   2.74110
   R16        2.67229  -0.00097  -0.00069  -0.00258  -0.00313   2.66916
   R17        2.73081   0.00202  -0.00067   0.00226   0.00161   2.73243
   R18        2.54943  -0.00015  -0.00308  -0.00663  -0.00920   2.54022
   R19        2.49731   0.00264   0.00265   0.00506   0.00714   2.50445
   R20        2.64319  -0.00085   0.00087  -0.00168  -0.00095   2.64224
   R21        2.04562  -0.00034  -0.00050  -0.00033  -0.00083   2.04479
   R22        2.65700   0.00092   0.00121   0.00198   0.00318   2.66018
   R23        2.80694  -0.00160  -0.00319  -0.00515  -0.00835   2.79859
   R24        2.61218  -0.00045  -0.00006  -0.00078  -0.00070   2.61147
   R25        2.05033  -0.00017   0.00014  -0.00050  -0.00036   2.04997
   R26        2.05602  -0.00150  -0.00115  -0.00831  -0.00946   2.04656
   R27        2.57916  -0.00024   0.00012  -0.00116  -0.00048   2.57869
   R28        2.16906  -0.00317  -0.00204  -0.00334  -0.00035   2.16870
   R29        5.48582  -0.00185  -0.02945  -0.05788  -0.09244   5.39338
   R30        2.68224   0.00267   0.00292   0.00720   0.01026   2.69250
   R31        2.66870   0.00150   0.00155   0.00490   0.00655   2.67526
   R32        2.55381  -0.00030   0.00100   0.00069   0.00118   2.55499
   R33        2.67179   0.00101   0.00055   0.00223   0.00277   2.67456
   R34        2.59777  -0.00013   0.00056  -0.00048   0.00009   2.59786
   R35        2.05081  -0.00030   0.00040  -0.00091  -0.00051   2.05030
   R36        2.70368   0.00087   0.00027   0.00127   0.00145   2.70512
   R37        2.04747   0.00003   0.00027   0.00038   0.00064   2.04811
   R38        2.61864   0.00019   0.00084  -0.00004   0.00070   2.61934
   R39        2.81697  -0.00235  -0.00324  -0.00687  -0.01011   2.80686
   R40        2.04725  -0.00017  -0.00012   0.00001  -0.00010   2.04715
   R41        2.65406   0.00085   0.00057   0.00149   0.00206   2.65612
   R42        2.65537   0.00053   0.00053   0.00063   0.00116   2.65653
   R43        2.65498   0.00073   0.00054   0.00115   0.00168   2.65666
   R44        2.65584   0.00058   0.00049   0.00061   0.00110   2.65693
   R45        2.65592   0.00085   0.00067   0.00158   0.00224   2.65817
   R46        2.65894   0.00045   0.00046   0.00048   0.00093   2.65987
   R47        2.62967   0.00005   0.00028   0.00048   0.00076   2.63043
   R48        2.05030   0.00001   0.00000   0.00008   0.00008   2.05038
   R49        2.64308   0.00089   0.00139   0.00146   0.00285   2.64593
   R50        2.05000   0.00021  -0.00001   0.00058   0.00056   2.05057
   R51        2.64358   0.00082   0.00142   0.00129   0.00271   2.64630
   R52        2.68347   0.00061  -0.00087   0.00151   0.00064   2.68411
   R53        2.62903   0.00014   0.00036   0.00072   0.00108   2.63011
   R54        2.04999   0.00023  -0.00003   0.00061   0.00058   2.05057
   R55        2.05128  -0.00016  -0.00024  -0.00015  -0.00040   2.05088
   R56        2.63029   0.00003   0.00031   0.00040   0.00071   2.63100
   R57        2.05082  -0.00005  -0.00009  -0.00010  -0.00019   2.05063
   R58        2.64247   0.00092   0.00147   0.00159   0.00307   2.64553
   R59        2.05017   0.00019  -0.00004   0.00057   0.00053   2.05070
   R60        2.64324   0.00079   0.00139   0.00129   0.00269   2.64593
   R61        2.68458   0.00060  -0.00087   0.00140   0.00053   2.68512
   R62        2.62951   0.00017   0.00039   0.00072   0.00111   2.63062
   R63        2.05007   0.00023   0.00003   0.00062   0.00065   2.05072
   R64        2.05117  -0.00011  -0.00017   0.00001  -0.00016   2.05101
   R65        2.63043  -0.00006   0.00023   0.00017   0.00040   2.63083
   R66        2.04791   0.00012   0.00004   0.00046   0.00050   2.04841
   R67        2.64014   0.00109   0.00152   0.00193   0.00346   2.64360
   R68        2.04991   0.00020  -0.00001   0.00055   0.00054   2.05045
   R69        2.64376   0.00091   0.00142   0.00154   0.00296   2.64672
   R70        2.68228   0.00052  -0.00084   0.00125   0.00041   2.68269
   R71        2.62654   0.00015   0.00033   0.00062   0.00095   2.62748
   R72        2.04998   0.00020  -0.00002   0.00055   0.00053   2.05051
   R73        2.04862   0.00004  -0.00006   0.00061   0.00055   2.04917
   R74        2.63720   0.00242   0.00023   0.00188   0.00210   2.63930
   R75        2.63733   0.00248   0.00026   0.00188   0.00214   2.63947
   R76        2.63819   0.00246   0.00025   0.00187   0.00211   2.64030
   R77        2.63768   0.00233   0.00017   0.00167   0.00184   2.63952
   R78        2.63838   0.00239   0.00017   0.00174   0.00191   2.64029
   R79        2.63839   0.00245   0.00021   0.00189   0.00209   2.64048
   R80        2.67675   0.00164   0.00132   0.00350   0.00482   2.68157
   R81        2.63897   0.00058   0.00116   0.00117   0.00233   2.64130
   R82        2.73299   0.00181   0.00048   0.00282   0.00330   2.73629
   R83        2.64659  -0.00016   0.00002  -0.00020  -0.00018   2.64640
   R84        2.67690   0.00166   0.00133   0.00360   0.00493   2.68183
   R85        2.64652  -0.00019   0.00000  -0.00027  -0.00027   2.64626
   R86        2.63908   0.00055   0.00113   0.00114   0.00227   2.64135
   R87        2.67708   0.00161   0.00131   0.00347   0.00478   2.68186
   R88        2.63903   0.00054   0.00113   0.00111   0.00223   2.64126
   R89        2.73299   0.00182   0.00047   0.00286   0.00333   2.73632
   R90        2.64661  -0.00018   0.00001  -0.00025  -0.00024   2.64637
   R91        2.67689   0.00168   0.00136   0.00358   0.00494   2.68184
   R92        2.64663  -0.00018   0.00002  -0.00026  -0.00024   2.64639
   R93        2.63892   0.00061   0.00118   0.00120   0.00238   2.64130
   R94        2.67659   0.00167   0.00136   0.00360   0.00496   2.68156
   R95        2.63880   0.00061   0.00116   0.00123   0.00239   2.64119
   R96        2.73318   0.00180   0.00045   0.00282   0.00328   2.73645
   R97        2.64654  -0.00019   0.00001  -0.00028  -0.00026   2.64627
   R98        2.67672   0.00162   0.00134   0.00347   0.00481   2.68153
   R99        2.64649  -0.00016   0.00002  -0.00021  -0.00019   2.64630
   R100       2.63880   0.00059   0.00116   0.00118   0.00235   2.64115
   R101       2.62897   0.00044   0.00044   0.00079   0.00122   2.63019
   R102       2.05239   0.00011  -0.00011   0.00029   0.00017   2.05256
   R103       2.65585   0.00045   0.00060   0.00107   0.00167   2.65752
   R104       2.05165  -0.00002  -0.00016  -0.00009  -0.00025   2.05140
   R105       2.63098   0.00049   0.00034   0.00077   0.00111   2.63209
   R106       2.05149   0.00024  -0.00008   0.00063   0.00055   2.05204
   R107       2.05002   0.00002  -0.00009   0.00005  -0.00004   2.04997
   R108       2.63087   0.00049   0.00034   0.00077   0.00111   2.63198
   R109       2.04997   0.00000  -0.00013   0.00002  -0.00011   2.04987
   R110       2.65595   0.00046   0.00060   0.00109   0.00168   2.65763
   R111       2.05135   0.00024  -0.00007   0.00066   0.00059   2.05194
   R112       2.62886   0.00041   0.00042   0.00073   0.00115   2.63001
   R113       2.05163  -0.00002  -0.00016  -0.00008  -0.00023   2.05140
   R114       2.05241   0.00011  -0.00012   0.00026   0.00014   2.05255
   R115       2.62895   0.00041   0.00042   0.00077   0.00118   2.63013
   R116       2.05238   0.00011  -0.00011   0.00028   0.00017   2.05255
   R117       2.65600   0.00044   0.00059   0.00106   0.00165   2.65764
   R118       2.05164  -0.00002  -0.00015  -0.00008  -0.00023   2.05140
   R119       2.63094   0.00048   0.00034   0.00075   0.00109   2.63204
   R120       2.05144   0.00024  -0.00007   0.00065   0.00058   2.05203
   R121       2.05011  -0.00001  -0.00016   0.00002  -0.00014   2.04997
   R122       2.63093   0.00049   0.00035   0.00077   0.00112   2.63205
   R123       2.05005   0.00003  -0.00010   0.00006  -0.00004   2.05002
   R124       2.65594   0.00046   0.00060   0.00108   0.00168   2.65762
   R125       2.05145   0.00024  -0.00007   0.00064   0.00057   2.05202
   R126       2.62891   0.00044   0.00043   0.00081   0.00124   2.63015
   R127       2.05162  -0.00002  -0.00015  -0.00009  -0.00024   2.05138
   R128       2.05239   0.00011  -0.00011   0.00027   0.00016   2.05255
   R129       2.62896   0.00041   0.00042   0.00075   0.00117   2.63013
   R130       2.05237   0.00011  -0.00011   0.00027   0.00016   2.05253
   R131       2.65581   0.00045   0.00061   0.00108   0.00169   2.65750
   R132       2.05161  -0.00002  -0.00015  -0.00009  -0.00023   2.05138
   R133       2.63103   0.00048   0.00034   0.00074   0.00108   2.63211
   R134       2.05137   0.00024  -0.00007   0.00065   0.00058   2.05196
   R135       2.05004   0.00000  -0.00013   0.00001  -0.00011   2.04993
   R136       2.63106   0.00047   0.00034   0.00074   0.00108   2.63214
   R137       2.05005   0.00001  -0.00012   0.00004  -0.00008   2.04997
   R138       2.65583   0.00044   0.00060   0.00106   0.00165   2.65749
   R139       2.05139   0.00024  -0.00006   0.00066   0.00059   2.05199
   R140       2.62897   0.00043   0.00043   0.00079   0.00122   2.63019
   R141       2.05163  -0.00002  -0.00014  -0.00008  -0.00023   2.05140
   R142       2.05236   0.00011  -0.00010   0.00028   0.00017   2.05253
   R143       3.36496   0.00140  -0.01873  -0.09894  -0.11255   3.25242
    A1        2.06064   0.00029  -0.00009   0.00238   0.00229   2.06294
    A2        2.11133  -0.00015   0.00010  -0.00246  -0.00236   2.10897
    A3        2.11121  -0.00014  -0.00001   0.00008   0.00006   2.11127
    A4        2.14018  -0.00044   0.00032  -0.00214  -0.00184   2.13834
    A5        2.05770   0.00007  -0.00165  -0.00156  -0.00322   2.05448
    A6        2.08429   0.00038   0.00139   0.00401   0.00540   2.08969
    A7        2.05951   0.00017  -0.00021   0.00038   0.00021   2.05972
    A8        2.13527  -0.00036   0.00002  -0.00092  -0.00085   2.13442
    A9        2.08839   0.00019   0.00020   0.00055   0.00065   2.08904
   A10        2.08967   0.00008  -0.00068   0.00062  -0.00006   2.08961
   A11        2.10002   0.00030  -0.00009  -0.00007  -0.00021   2.09981
   A12        2.09285  -0.00037   0.00082  -0.00033   0.00051   2.09336
   A13        2.11091   0.00009   0.00046  -0.00016   0.00030   2.11121
   A14        2.06797  -0.00060   0.00088  -0.00227  -0.00139   2.06659
   A15        2.10430   0.00051  -0.00134   0.00243   0.00109   2.10539
   A16        2.10508  -0.00018   0.00018  -0.00105  -0.00088   2.10420
   A17        2.09709  -0.00063  -0.00010  -0.00403  -0.00414   2.09295
   A18        2.08061   0.00081  -0.00003   0.00519   0.00515   2.08577
   A19        2.10446   0.00071  -0.00082   0.00103   0.00018   2.10464
   A20        2.11851  -0.00167   0.00323  -0.00353  -0.00028   2.11823
   A21        2.05987   0.00096  -0.00238   0.00254   0.00015   2.06003
   A22        2.08124  -0.00031   0.00085   0.00155   0.00238   2.08363
   A23        2.08248  -0.00206   0.00151  -0.00593  -0.00422   2.07826
   A24        2.11937   0.00238  -0.00231   0.00445   0.00191   2.12128
   A25        2.10283  -0.00209   0.00163  -0.00385  -0.00271   2.10012
   A26        2.13818   0.00257  -0.00615   0.00108  -0.00581   2.13237
   A27        2.04144  -0.00047   0.00475   0.00342   0.00912   2.05056
   A28        2.08345   0.00131  -0.00097   0.00351   0.00260   2.08605
   A29        2.06768  -0.00243   0.00511  -0.00477   0.00020   2.06788
   A30        2.13159   0.00113  -0.00402   0.00154  -0.00251   2.12908
   A31        2.14461  -0.00025   0.00119  -0.00054   0.00046   2.14508
   A32        2.08106   0.00028   0.00055   0.00322   0.00381   2.08487
   A33        2.05621  -0.00002  -0.00152  -0.00228  -0.00375   2.05246
   A34        2.05740  -0.00024   0.00052   0.00076   0.00126   2.05866
   A35        2.10834   0.00052   0.00060   0.00025   0.00086   2.10920
   A36        2.11740  -0.00028  -0.00111  -0.00101  -0.00211   2.11529
   A37        2.11472  -0.00016  -0.00193  -0.00366  -0.00532   2.10939
   A38        2.10480  -0.00088   0.00020  -0.00496  -0.00489   2.09991
   A39        2.06333   0.00104   0.00169   0.00864   0.01020   2.07353
   A40        2.10620   0.00178   0.00134   0.00753   0.00829   2.11449
   A41        2.10290  -0.00027   0.00078   0.00168   0.00124   2.10414
   A42        2.07178  -0.00142  -0.00012  -0.00589  -0.00722   2.06456
   A43        2.12683  -0.00023   0.00077   0.00050  -0.00181   2.12502
   A44        2.13587   0.00053   0.01107   0.01412   0.02432   2.16019
   A45        2.17766   0.00797  -0.00284   0.06113   0.05462   2.23228
   A46        1.97098   0.00002   0.00333   0.00005   0.00072   1.97169
   A47        1.86981  -0.00591   0.00256   0.00495   0.00384   1.87365
   A48        2.06964   0.00121  -0.00262   0.00092  -0.00060   2.06905
   A49        2.11858  -0.00022   0.00338   0.00369   0.00624   2.12482
   A50        2.09496  -0.00099  -0.00074  -0.00459  -0.00566   2.08930
   A51        2.10681  -0.00025   0.00129   0.00040   0.00177   2.10858
   A52        2.08380   0.00020  -0.00034   0.00167   0.00144   2.08525
   A53        2.09253   0.00004  -0.00094  -0.00205  -0.00319   2.08934
   A54        2.08701  -0.00130   0.00078  -0.00389  -0.00375   2.08326
   A55        2.07314   0.00048   0.00047   0.00274   0.00329   2.07644
   A56        2.07788  -0.00010   0.00088   0.00049   0.00108   2.07896
   A57        2.13061  -0.00035  -0.00091  -0.00195  -0.00316   2.12745
   A58        2.14411   0.00011   0.00008  -0.00062  -0.00050   2.14361
   A59        2.04928   0.00081  -0.00008   0.00549   0.00536   2.05464
   A60        2.08968  -0.00092  -0.00003  -0.00501  -0.00509   2.08459
   A61        2.05312   0.00042   0.00013   0.00192   0.00197   2.05509
   A62        2.10871  -0.00052  -0.00019  -0.00069  -0.00085   2.10786
   A63        2.12134   0.00010   0.00007  -0.00121  -0.00111   2.12023
   A64        2.11711  -0.00021   0.00046  -0.00096  -0.00049   2.11662
   A65        2.02655   0.00066   0.00050   0.00511   0.00560   2.03215
   A66        2.13929  -0.00045  -0.00095  -0.00418  -0.00514   2.13415
   A67        2.10942   0.00008   0.00013   0.00102   0.00115   2.11056
   A68        2.11306   0.00032   0.00122  -0.00034   0.00088   2.11393
   A69        2.06071  -0.00039  -0.00135  -0.00068  -0.00202   2.05869
   A70        2.11126  -0.00023   0.00008   0.00007   0.00015   2.11142
   A71        2.11025   0.00067   0.00123   0.00088   0.00211   2.11236
   A72        2.06166  -0.00044  -0.00131  -0.00095  -0.00226   2.05940
   A73        2.11999  -0.00013   0.00005   0.00033   0.00038   2.12038
   A74        2.11229   0.00039   0.00133   0.00013   0.00147   2.11376
   A75        2.05090  -0.00026  -0.00138  -0.00046  -0.00185   2.04905
   A76        2.11134   0.00051   0.00107   0.00153   0.00259   2.11394
   A77        2.09475  -0.00068  -0.00025  -0.00382  -0.00409   2.09066
   A78        2.07588   0.00018  -0.00072   0.00259   0.00186   2.07774
   A79        2.09917  -0.00033   0.00061  -0.00126  -0.00069   2.09849
   A80        2.10357  -0.00007  -0.00270  -0.00104  -0.00379   2.09978
   A81        2.08041   0.00041   0.00216   0.00237   0.00448   2.08489
   A82        2.08338   0.00008  -0.00192   0.00050  -0.00140   2.08198
   A83        2.10042   0.00000   0.00093  -0.00021   0.00070   2.10113
   A84        2.09938  -0.00008   0.00099  -0.00028   0.00070   2.10008
   A85        2.09725  -0.00014   0.00106  -0.00024   0.00079   2.09803
   A86        2.08003   0.00037   0.00211   0.00234   0.00440   2.08444
   A87        2.10590  -0.00022  -0.00312  -0.00207  -0.00524   2.10066
   A88        2.11328   0.00033   0.00058   0.00055   0.00113   2.11441
   A89        2.09186  -0.00043   0.00036  -0.00283  -0.00248   2.08938
   A90        2.07655   0.00011  -0.00086   0.00259   0.00171   2.07827
   A91        2.11268   0.00042   0.00089   0.00099   0.00188   2.11455
   A92        2.09348  -0.00061  -0.00027  -0.00351  -0.00379   2.08969
   A93        2.07585   0.00020  -0.00055   0.00277   0.00220   2.07805
   A94        2.09861  -0.00029   0.00080  -0.00099  -0.00022   2.09839
   A95        2.10485  -0.00014  -0.00292  -0.00143  -0.00440   2.10045
   A96        2.07971   0.00043   0.00219   0.00247   0.00461   2.08432
   A97        2.08296   0.00010  -0.00194   0.00067  -0.00125   2.08171
   A98        2.09977   0.00006   0.00111  -0.00011   0.00099   2.10076
   A99        2.10045  -0.00016   0.00084  -0.00057   0.00026   2.10071
   A100       2.09784  -0.00018   0.00089  -0.00057   0.00029   2.09813
   A101       2.07980   0.00038   0.00213   0.00243   0.00451   2.08431
   A102       2.10554  -0.00021  -0.00297  -0.00183  -0.00485   2.10069
   A103       2.11334   0.00035   0.00079   0.00069   0.00147   2.11481
   A104       2.09205  -0.00050   0.00013  -0.00334  -0.00322   2.08884
   A105       2.07644   0.00016  -0.00083   0.00295   0.00211   2.07854
   A106       2.11767   0.00036   0.00094   0.00086   0.00180   2.11947
   A107       2.10579  -0.00067  -0.00036  -0.00398  -0.00434   2.10145
   A108       2.05891   0.00030  -0.00060   0.00293   0.00233   2.06124
   A109       2.10033  -0.00029   0.00078  -0.00083  -0.00008   2.10025
   A110       2.10167  -0.00015  -0.00295  -0.00175  -0.00476   2.09690
   A111       2.08115   0.00044   0.00225   0.00268   0.00486   2.08601
   A112       2.07896   0.00006  -0.00200   0.00039  -0.00158   2.07738
   A113       2.10291  -0.00002   0.00102  -0.00025   0.00076   2.10367
   A114       2.10131  -0.00004   0.00098  -0.00014   0.00082   2.10213
   A115       2.09938  -0.00018   0.00096  -0.00040   0.00051   2.09989
   A116       2.08018   0.00043   0.00226   0.00278   0.00496   2.08515
   A117       2.10360  -0.00025  -0.00314  -0.00229  -0.00551   2.09809
   A118       2.11887   0.00030   0.00079   0.00057   0.00136   2.12024
   A119       2.09956  -0.00050   0.00019  -0.00338  -0.00320   2.09637
   A120       2.06404   0.00020  -0.00101   0.00261   0.00159   2.06563
   A121       2.19513  -0.00008  -0.00044  -0.00072  -0.00116   2.19397
   A122       2.19419   0.00018  -0.00016  -0.00016  -0.00032   2.19387
   A123       1.89386  -0.00009   0.00060   0.00089   0.00149   1.89534
   A124       2.19450   0.00011  -0.00027  -0.00035  -0.00063   2.19388
   A125       2.19497  -0.00003  -0.00044  -0.00057  -0.00101   2.19397
   A126       1.89370  -0.00009   0.00071   0.00092   0.00163   1.89533
   A127       2.19418   0.00009  -0.00031  -0.00029  -0.00060   2.19358
   A128       2.19513   0.00001  -0.00029  -0.00059  -0.00088   2.19425
   A129       1.89387  -0.00010   0.00060   0.00088   0.00148   1.89535
   A130       1.90121  -0.00017  -0.00040  -0.00036  -0.00077   1.90044
   A131       2.25317   0.00056   0.00263   0.00226   0.00489   2.25806
   A132       2.12875  -0.00039  -0.00223  -0.00189  -0.00412   2.12464
   A133       1.86430   0.00020   0.00004  -0.00009  -0.00005   1.86425
   A134       2.08019   0.00033   0.00178   0.00195   0.00372   2.08391
   A135       2.33845  -0.00052  -0.00179  -0.00172  -0.00352   2.33492
   A136       1.86428   0.00019   0.00003  -0.00014  -0.00010   1.86417
   A137       2.33856  -0.00051  -0.00177  -0.00170  -0.00349   2.33507
   A138       2.08010   0.00032   0.00177   0.00198   0.00374   2.08384
   A139       1.90129  -0.00014  -0.00038  -0.00032  -0.00071   1.90059
   A140       2.25343   0.00052   0.00260   0.00225   0.00485   2.25827
   A141       2.12841  -0.00038  -0.00222  -0.00192  -0.00414   2.12427
   A142       1.90133  -0.00014  -0.00030  -0.00031  -0.00061   1.90072
   A143       2.25325   0.00049   0.00253   0.00210   0.00463   2.25787
   A144       2.12857  -0.00035  -0.00223  -0.00179  -0.00401   2.12456
   A145       1.86411   0.00020   0.00001  -0.00011  -0.00010   1.86401
   A146       2.08000   0.00031   0.00180   0.00191   0.00370   2.08370
   A147       2.33884  -0.00051  -0.00179  -0.00166  -0.00346   2.33538
   A148       1.86411   0.00021   0.00002  -0.00008  -0.00007   1.86404
   A149       2.33893  -0.00054  -0.00183  -0.00175  -0.00360   2.33533
   A150       2.07991   0.00034   0.00184   0.00198   0.00381   2.08371
   A151       1.90137  -0.00018  -0.00033  -0.00038  -0.00071   1.90066
   A152       2.25287   0.00060   0.00265   0.00231   0.00496   2.25782
   A153       2.12890  -0.00042  -0.00232  -0.00193  -0.00424   2.12466
   A154       1.90104  -0.00016  -0.00029  -0.00035  -0.00064   1.90039
   A155       2.25306   0.00057   0.00258   0.00233   0.00491   2.25797
   A156       2.12903  -0.00041  -0.00229  -0.00198  -0.00427   2.12476
   A157       1.86444   0.00020  -0.00001  -0.00010  -0.00011   1.86433
   A158       2.07993   0.00033   0.00182   0.00200   0.00380   2.08373
   A159       2.33856  -0.00053  -0.00178  -0.00175  -0.00355   2.33501
   A160       1.86448   0.00020   0.00001  -0.00012  -0.00011   1.86437
   A161       2.33844  -0.00052  -0.00180  -0.00171  -0.00352   2.33492
   A162       2.08002   0.00033   0.00182   0.00197   0.00378   2.08380
   A163       1.90095  -0.00015  -0.00030  -0.00032  -0.00062   1.90033
   A164       2.25331   0.00054   0.00256   0.00220   0.00476   2.25807
   A165       2.12888  -0.00040  -0.00226  -0.00188  -0.00414   2.12474
   A166       2.08009   0.00003  -0.00015  -0.00020  -0.00035   2.07974
   A167       2.10426  -0.00044  -0.00033  -0.00213  -0.00246   2.10181
   A168       2.09883   0.00041   0.00048   0.00233   0.00281   2.10164
   A169       2.10824  -0.00027  -0.00089  -0.00163  -0.00252   2.10572
   A170       2.08895   0.00021   0.00034   0.00125   0.00158   2.09053
   A171       2.08599   0.00006   0.00056   0.00039   0.00094   2.08694
   A172       2.11517   0.00063   0.00087   0.00267   0.00355   2.11872
   A173       2.08239   0.00017   0.00040   0.00135   0.00175   2.08414
   A174       2.08561  -0.00079  -0.00128  -0.00401  -0.00529   2.08032
   A175       2.05430  -0.00032   0.00063  -0.00084  -0.00022   2.05408
   A176       2.11151   0.00049   0.00212   0.00290   0.00500   2.11650
   A177       2.11733  -0.00016  -0.00271  -0.00199  -0.00472   2.11260
   A178       2.05384  -0.00033   0.00063  -0.00086  -0.00024   2.05360
   A179       2.11229   0.00051   0.00215   0.00298   0.00511   2.11740
   A180       2.11698  -0.00018  -0.00274  -0.00203  -0.00479   2.11218
   A181       2.11541   0.00063   0.00088   0.00267   0.00355   2.11897
   A182       2.08511  -0.00079  -0.00127  -0.00398  -0.00525   2.07985
   A183       2.08266   0.00016   0.00039   0.00131   0.00170   2.08436
   A184       2.10836  -0.00027  -0.00089  -0.00163  -0.00253   2.10583
   A185       2.08591   0.00006   0.00056   0.00038   0.00093   2.08684
   A186       2.08890   0.00022   0.00035   0.00127   0.00161   2.09051
   A187       2.07975   0.00004  -0.00014  -0.00018  -0.00032   2.07942
   A188       2.10444  -0.00044  -0.00033  -0.00215  -0.00248   2.10196
   A189       2.09900   0.00040   0.00047   0.00233   0.00281   2.10180
   A190       2.07992   0.00004  -0.00015  -0.00019  -0.00034   2.07958
   A191       2.10440  -0.00044  -0.00031  -0.00212  -0.00243   2.10197
   A192       2.09886   0.00040   0.00046   0.00231   0.00277   2.10164
   A193       2.10841  -0.00027  -0.00092  -0.00163  -0.00256   2.10584
   A194       2.08886   0.00021   0.00035   0.00124   0.00158   2.09044
   A195       2.08591   0.00006   0.00059   0.00041   0.00099   2.08690
   A196       2.11524   0.00064   0.00091   0.00269   0.00360   2.11884
   A197       2.08243   0.00016   0.00038   0.00135   0.00173   2.08415
   A198       2.08551  -0.00080  -0.00129  -0.00404  -0.00533   2.08018
   A199       2.05393  -0.00032   0.00066  -0.00086  -0.00021   2.05372
   A200       2.11153   0.00052   0.00214   0.00302   0.00513   2.11667
   A201       2.11765  -0.00020  -0.00276  -0.00208  -0.00486   2.11279
   A202       2.05417  -0.00034   0.00062  -0.00090  -0.00029   2.05388
   A203       2.11152   0.00049   0.00211   0.00291   0.00499   2.11651
   A204       2.11743  -0.00015  -0.00269  -0.00192  -0.00463   2.11279
   A205       2.11519   0.00062   0.00090   0.00265   0.00355   2.11874
   A206       2.08566  -0.00079  -0.00131  -0.00402  -0.00533   2.08032
   A207       2.08233   0.00017   0.00041   0.00137   0.00178   2.08411
   A208       2.10836  -0.00027  -0.00090  -0.00161  -0.00253   2.10583
   A209       2.08590   0.00006   0.00058   0.00039   0.00096   2.08686
   A210       2.08891   0.00021   0.00034   0.00124   0.00158   2.09049
   A211       2.08000   0.00003  -0.00016  -0.00020  -0.00036   2.07964
   A212       2.10444  -0.00044  -0.00033  -0.00216  -0.00249   2.10195
   A213       2.09874   0.00041   0.00049   0.00236   0.00285   2.10159
   A214       2.07986   0.00003  -0.00016  -0.00020  -0.00037   2.07949
   A215       2.10442  -0.00044  -0.00032  -0.00215  -0.00247   2.10195
   A216       2.09891   0.00041   0.00048   0.00235   0.00283   2.10174
   A217       2.10840  -0.00028  -0.00091  -0.00163  -0.00255   2.10585
   A218       2.08884   0.00022   0.00035   0.00127   0.00161   2.09045
   A219       2.08594   0.00006   0.00058   0.00038   0.00095   2.08689
   A220       2.11526   0.00063   0.00091   0.00268   0.00360   2.11885
   A221       2.08261   0.00016   0.00039   0.00134   0.00172   2.08433
   A222       2.08531  -0.00079  -0.00130  -0.00401  -0.00532   2.07999
   A223       2.05390  -0.00032   0.00063  -0.00087  -0.00026   2.05363
   A224       2.11219   0.00050   0.00213   0.00298   0.00509   2.11729
   A225       2.11702  -0.00018  -0.00272  -0.00202  -0.00476   2.11226
   A226       2.05385  -0.00032   0.00065  -0.00082  -0.00018   2.05366
   A227       2.11217   0.00050   0.00207   0.00292   0.00497   2.11713
   A228       2.11712  -0.00018  -0.00269  -0.00202  -0.00473   2.11239
   A229       2.11520   0.00064   0.00090   0.00270   0.00360   2.11880
   A230       2.08539  -0.00080  -0.00129  -0.00402  -0.00531   2.08008
   A231       2.08258   0.00016   0.00038   0.00133   0.00171   2.08429
   A232       2.10845  -0.00027  -0.00092  -0.00166  -0.00259   2.10586
   A233       2.08589   0.00006   0.00059   0.00043   0.00101   2.08690
   A234       2.08884   0.00021   0.00034   0.00124   0.00158   2.09041
   A235       2.07986   0.00004  -0.00015  -0.00017  -0.00032   2.07954
   A236       2.10441  -0.00044  -0.00032  -0.00216  -0.00247   2.10194
   A237       2.09891   0.00040   0.00046   0.00233   0.00279   2.10171
    D1       -0.00635  -0.00001  -0.00034   0.00024  -0.00012  -0.00647
    D2        3.08671   0.00021   0.00115   0.00781   0.00890   3.09561
    D3        3.13884  -0.00001  -0.00006  -0.00040  -0.00046   3.13838
    D4       -0.05129   0.00021   0.00143   0.00717   0.00856  -0.04273
    D5       -0.01267   0.00003  -0.00001   0.00065   0.00066  -0.01202
    D6        3.09814   0.00017   0.00174   0.00487   0.00662   3.10476
    D7        3.12533   0.00004  -0.00029   0.00128   0.00099   3.12632
    D8       -0.04705   0.00017   0.00146   0.00550   0.00695  -0.04010
    D9        2.56777  -0.00060  -0.00552  -0.04775  -0.05327   2.51450
   D10       -0.57409  -0.00062  -0.00577  -0.04795  -0.05373  -0.62781
   D11       -0.57013  -0.00061  -0.00523  -0.04841  -0.05363  -0.62375
   D12        2.57120  -0.00062  -0.00548  -0.04861  -0.05408   2.51713
   D13        0.02622  -0.00002   0.00066  -0.00124  -0.00058   0.02563
   D14       -3.11042  -0.00015  -0.00089  -0.00310  -0.00408  -3.11450
   D15       -3.06613  -0.00023  -0.00076  -0.00877  -0.00954  -3.07567
   D16        0.08041  -0.00036  -0.00231  -0.01062  -0.01303   0.06738
   D17       -0.02734   0.00002  -0.00064   0.00132   0.00071  -0.02663
   D18        3.07556   0.00024   0.00081   0.00798   0.00877   3.08434
   D19        3.10944   0.00014   0.00087   0.00312   0.00411   3.11355
   D20       -0.07084   0.00036   0.00231   0.00977   0.01217  -0.05868
   D21       -3.10935  -0.00019  -0.00035  -0.00534  -0.00565  -3.11501
   D22        0.06076  -0.00034  -0.00100  -0.00681  -0.00785   0.05292
   D23        0.03727  -0.00032  -0.00192  -0.00722  -0.00920   0.02807
   D24       -3.07580  -0.00047  -0.00258  -0.00869  -0.01140  -3.08719
   D25        0.00945  -0.00000   0.00034  -0.00051  -0.00022   0.00923
   D26       -3.12901   0.00002   0.00021   0.00046   0.00065  -3.12836
   D27       -3.09361  -0.00024  -0.00108  -0.00715  -0.00823  -3.10184
   D28        0.05111  -0.00021  -0.00121  -0.00617  -0.00736   0.04374
   D29        0.01359   0.00018   0.00210   0.00607   0.00826   0.02185
   D30       -3.09611  -0.00025  -0.00106  -0.00360  -0.00432  -3.10044
   D31        3.11642   0.00042   0.00351   0.01276   0.01632   3.13274
   D32        0.00672  -0.00002   0.00035   0.00309   0.00374   0.01046
   D33        0.01111  -0.00003  -0.00001  -0.00053  -0.00051   0.01060
   D34       -3.09999  -0.00014  -0.00174  -0.00455  -0.00629  -3.10627
   D35       -3.13367  -0.00006   0.00012  -0.00153  -0.00140  -3.13508
   D36        0.03841  -0.00017  -0.00161  -0.00555  -0.00718   0.03124
   D37        0.05413  -0.00039  -0.00292  -0.01145  -0.01444   0.03969
   D38       -3.07330  -0.00085  -0.00577  -0.01653  -0.02234  -3.09564
   D39       -3.11505  -0.00029  -0.00219  -0.01012  -0.01233  -3.12738
   D40        0.04070  -0.00075  -0.00504  -0.01521  -0.02022   0.02048
   D41        3.10357   0.00053   0.00560   0.01166   0.01733   3.12091
   D42        0.01806   0.00024   0.00157   0.00297   0.00457   0.02262
   D43       -0.01020   0.00038   0.00493   0.01024   0.01520   0.00500
   D44       -3.09572   0.00009   0.00090   0.00155   0.00243  -3.09329
   D45       -0.11213   0.00116   0.00722   0.02795   0.03536  -0.07678
   D46        2.98720   0.00156   0.01271   0.04673   0.05929   3.04649
   D47        3.01499   0.00160   0.01018   0.03306   0.04340   3.05839
   D48       -0.16887   0.00200   0.01568   0.05184   0.06734  -0.10153
   D49       -0.03385   0.00049   0.00080   0.00574   0.00652  -0.02733
   D50        3.03383   0.00190   0.02194   0.05856   0.08066   3.11449
   D51        3.12223   0.00004  -0.00216   0.00057  -0.00155   3.12068
   D52       -0.09328   0.00145   0.01899   0.05339   0.07259  -0.02069
   D53        0.07912  -0.00102  -0.00696  -0.02538  -0.03249   0.04663
   D54       -3.09558  -0.00064  -0.00344  -0.01546  -0.01940  -3.11497
   D55       -3.02248  -0.00148  -0.01178  -0.04311  -0.05499  -3.07747
   D56        0.08600  -0.00110  -0.00826  -0.03319  -0.04189   0.04411
   D57        3.10333   0.00155   0.00687   0.03011   0.03767   3.14100
   D58        0.31825   0.00046  -0.03621  -0.02101  -0.05719   0.26106
   D59        0.50958  -0.00093   0.00494  -0.12659  -0.12395   0.38563
   D60       -0.07913   0.00190   0.01210   0.04811   0.06070  -0.01843
   D61       -2.86421   0.00081  -0.03098  -0.00302  -0.03416  -2.89836
   D62       -2.67288  -0.00058   0.01017  -0.10859  -0.10092  -2.77379
   D63        3.06239   0.00047   0.00419   0.01398   0.01794   3.08033
   D64       -0.04639   0.00002   0.00085   0.00400   0.00494  -0.04145
   D65       -0.02750   0.00021  -0.00047   0.00419   0.00374  -0.02376
   D66        3.12403   0.00012  -0.00125   0.00304   0.00182   3.12585
   D67        3.05876   0.00050   0.00358   0.01294   0.01651   3.07528
   D68       -0.07289   0.00041   0.00280   0.01178   0.01460  -0.05829
   D69        0.03516  -0.00047  -0.00399  -0.01423  -0.01818   0.01698
   D70       -3.13492  -0.00044  -0.00535  -0.01337  -0.01864   3.12963
   D71       -3.11642  -0.00038  -0.00319  -0.01306  -0.01624  -3.13266
   D72       -0.00332  -0.00035  -0.00455  -0.01220  -0.01670  -0.02002
   D73        2.57941  -0.00052  -0.00458  -0.04581  -0.05041   2.52900
   D74       -0.56625  -0.00052  -0.00478  -0.04552  -0.05031  -0.61656
   D75       -0.55190  -0.00061  -0.00540  -0.04702  -0.05241  -0.60432
   D76        2.58562  -0.00061  -0.00559  -0.04673  -0.05231   2.53331
   D77       -0.00492   0.00017   0.00377   0.00943   0.01320   0.00829
   D78       -3.07389  -0.00126  -0.01707  -0.04276  -0.05963  -3.13352
   D79       -3.11868   0.00017   0.00512   0.00881   0.01389  -3.10479
   D80        0.09553  -0.00126  -0.01572  -0.04339  -0.05894   0.03659
   D81        0.03639  -0.00150  -0.00919  -0.03446  -0.04349  -0.00710
   D82       -3.10224  -0.00165  -0.01164  -0.04195  -0.05324   3.12771
   D83        2.85220  -0.00040   0.03235   0.01493   0.04655   2.89876
   D84       -0.28642  -0.00055   0.02991   0.00744   0.03681  -0.24961
   D85        2.71378   0.00422  -0.00900   0.11462   0.10403   2.81781
   D86       -0.42485   0.00407  -0.01145   0.10712   0.09428  -0.33057
   D87        0.00676   0.00034   0.00102   0.00311   0.00380   0.01056
   D88        3.13823   0.00024   0.00161   0.00567   0.00730  -3.13766
   D89       -3.13776   0.00050   0.00346   0.01051   0.01336  -3.12440
   D90       -0.00629   0.00039   0.00404   0.01307   0.01686   0.01057
   D91       -3.13644  -0.00018  -0.00121  -0.00293  -0.00410  -3.14054
   D92        0.06378  -0.00071  -0.00804  -0.02705  -0.03521   0.02857
   D93        0.00816  -0.00034  -0.00367  -0.01054  -0.01396  -0.00580
   D94       -3.07480  -0.00087  -0.01050  -0.03466  -0.04507  -3.11988
   D95       -0.00040   0.00036   0.00302   0.01129   0.01441   0.01401
   D96       -3.13182   0.00047   0.00243   0.00869   0.01088  -3.12094
   D97       -0.00610  -0.00011  -0.00156  -0.00481  -0.00632  -0.01242
   D98        3.11278  -0.00012  -0.00098  -0.00669  -0.00771   3.10506
   D99        3.12545  -0.00022  -0.00096  -0.00226  -0.00283   3.12262
   D100      -0.03886  -0.00023  -0.00038  -0.00414  -0.00422  -0.04308
   D101       0.00205   0.00002   0.00085  -0.00019   0.00061   0.00266
   D102       3.12751  -0.00018  -0.00185  -0.00967  -0.01160   3.11591
   D103       3.08316   0.00058   0.00800   0.02478   0.03278   3.11594
   D104      -0.07456   0.00038   0.00529   0.01531   0.02057  -0.05399
   D105      -0.01397   0.00024   0.00157   0.00821   0.00973  -0.00424
   D106       3.13152   0.00011   0.00009   0.00381   0.00391   3.13543
   D107      -3.13908   0.00043   0.00434   0.01780   0.02205  -3.11703
   D108       0.00641   0.00030   0.00285   0.01340   0.01623   0.02264
   D109       0.01574  -0.00019  -0.00119  -0.00552  -0.00665   0.00910
   D110      -3.10164  -0.00019  -0.00182  -0.00364  -0.00532  -3.10696
   D111      -3.12977  -0.00006   0.00031  -0.00109  -0.00079  -3.13056
   D112       0.03602  -0.00006  -0.00033   0.00079   0.00054   0.03657
   D113       0.29984   0.00175   0.01121   0.08494   0.09610   0.39594
   D114      -2.84182   0.00173   0.01114   0.08357   0.09467  -2.74714
   D115      -2.83771   0.00162   0.00966   0.08036   0.09006  -2.74764
   D116       0.30383   0.00159   0.00960   0.07899   0.08863   0.39246
   D117      -3.12896  -0.00009  -0.00148  -0.00266  -0.00414  -3.13310
   D118      -0.04016   0.00008  -0.00003   0.00287   0.00284  -0.03732
   D119       0.01289  -0.00008  -0.00124  -0.00247  -0.00370   0.00919
   D120       3.10168   0.00009   0.00021   0.00306   0.00328   3.10497
   D121      -3.13547  -0.00007  -0.00132  -0.00207  -0.00338  -3.13885
   D122      -0.05032   0.00011   0.00050   0.00426   0.00477  -0.04554
   D123       0.00587  -0.00009  -0.00157  -0.00226  -0.00382   0.00205
   D124       3.09102   0.00009   0.00025   0.00407   0.00433   3.09536
   D125      -3.13196  -0.00007  -0.00137  -0.00222  -0.00359  -3.13555
   D126      -0.04378   0.00013   0.00071   0.00449   0.00520  -0.03858
   D127       0.01359  -0.00008  -0.00119  -0.00251  -0.00370   0.00989
   D128       3.10177   0.00012   0.00089   0.00419   0.00509   3.10686
   D129      -3.13032  -0.00009  -0.00128  -0.00245  -0.00373  -3.13405
   D130      -0.04802   0.00010   0.00030   0.00373   0.00404  -0.04398
   D131       0.00732  -0.00008  -0.00146  -0.00216  -0.00362   0.00369
   D132       3.08962   0.00010   0.00011   0.00402   0.00414   3.09376
   D133       3.12926   0.00005   0.00101   0.00068   0.00168   3.13094
   D134       0.03182   0.00015   0.00148   0.00559   0.00704   0.03886
   D135      -0.01227   0.00007   0.00108   0.00199   0.00306  -0.00921
   D136      -3.10972   0.00018   0.00154   0.00691   0.00842  -3.10129
   D137       3.13382   0.00012   0.00166   0.00448   0.00612   3.13994
   D138       0.03347   0.00025   0.00265   0.01008   0.01270   0.04617
   D139      -0.00784   0.00010   0.00159   0.00317   0.00475  -0.00309
   D140      -3.10818   0.00023   0.00259   0.00877   0.01133  -3.09685
   D141      -0.02259   0.00018   0.00270   0.00513   0.00782  -0.01476
   D142       3.12650  -0.00027  -0.00203  -0.00494  -0.00690   3.11960
   D143      -3.11134   0.00001   0.00063  -0.00131  -0.00072  -3.11206
   D144       0.03775  -0.00044  -0.00410  -0.01139  -0.01545   0.02230
   D145       0.01046  -0.00011  -0.00158  -0.00301  -0.00458   0.00588
   D146      -3.12794  -0.00012  -0.00162  -0.00327  -0.00488  -3.13281
   D147      -3.13853   0.00033   0.00302   0.00691   0.00999  -3.12854
   D148       0.00626   0.00032   0.00298   0.00666   0.00969   0.01595
   D149       0.01024  -0.00007  -0.00105  -0.00165  -0.00270   0.00754
   D150      -3.13437   0.00036   0.00362   0.00806   0.01175  -3.12262
   D151      -3.13455  -0.00006  -0.00101  -0.00140  -0.00240  -3.13695
   D152       0.00403   0.00037   0.00366   0.00832   0.01204   0.01607
   D153       1.16024  -0.00099  -0.00923  -0.00346  -0.01269   1.14754
   D154      -1.98709  -0.00100  -0.00932  -0.00418  -0.01350  -2.00059
   D155      -1.97813  -0.00101  -0.00927  -0.00372  -0.01299  -1.99112
   D156       1.15773  -0.00101  -0.00936  -0.00444  -0.01380   1.14393
   D157      -0.01925   0.00016   0.00258   0.00427   0.00684  -0.01241
   D158      -3.10206  -0.00000   0.00097  -0.00168  -0.00074  -3.10280
   D159       3.12540  -0.00027  -0.00223  -0.00560  -0.00776   3.11764
   D160       0.04259  -0.00044  -0.00384  -0.01155  -0.01534   0.02725
   D161      -0.01998   0.00016   0.00271   0.00471   0.00742  -0.01256
   D162       3.12812  -0.00029  -0.00239  -0.00552  -0.00784   3.12028
   D163      -3.10930   0.00002   0.00127  -0.00058   0.00066  -3.10864
   D164       0.03880  -0.00043  -0.00383  -0.01081  -0.01459   0.02421
   D165       0.00809  -0.00008  -0.00140  -0.00218  -0.00356   0.00453
   D166      -3.13123  -0.00010  -0.00148  -0.00250  -0.00397  -3.13519
   D167      -3.13992   0.00036   0.00355   0.00790   0.01151  -3.12840
   D168       0.00395   0.00035   0.00347   0.00758   0.01111   0.01507
   D169       0.01047  -0.00009  -0.00138  -0.00253  -0.00390   0.00657
   D170      -3.13482   0.00035   0.00339   0.00736   0.01081  -3.12401
   D171      -3.13340  -0.00008  -0.00130  -0.00221  -0.00349  -3.13690
   D172       0.00449   0.00037   0.00348   0.00768   0.01121   0.01571
   D173      -1.96277  -0.00094  -0.00882  -0.00070  -0.00952  -1.97229
   D174       1.17820  -0.00093  -0.00876  -0.00058  -0.00935   1.16885
   D175       1.18112  -0.00096  -0.00890  -0.00103  -0.00993   1.17119
   D176      -1.96109  -0.00095  -0.00884  -0.00091  -0.00975  -1.97085
   D177      -0.01757   0.00018   0.00287   0.00479   0.00765  -0.00992
   D178      -3.10321   0.00002   0.00103  -0.00129  -0.00029  -3.10350
   D179       3.12778  -0.00027  -0.00204  -0.00526  -0.00722   3.12056
   D180       0.04213  -0.00043  -0.00387  -0.01133  -0.01516   0.02697
   D181       0.02193  -0.00018  -0.00262  -0.00511  -0.00771   0.01422
   D182      -3.12963   0.00033   0.00275   0.00738   0.01005  -3.11959
   D183       3.12052  -0.00031  -0.00307  -0.01007  -0.01312   3.10740
   D184      -0.03104   0.00020   0.00230   0.00242   0.00464  -0.02640
   D185      -0.01117   0.00010   0.00150   0.00301   0.00450  -0.00667
   D186       3.12859   0.00009   0.00152   0.00265   0.00416   3.13275
   D187       3.14028  -0.00040  -0.00371  -0.00931  -0.01310   3.12718
   D188      -0.00315  -0.00041  -0.00369  -0.00967  -0.01344  -0.01658
   D189      -0.00867   0.00008   0.00113   0.00211   0.00323  -0.00545
   D190       3.14040  -0.00044  -0.00431  -0.01094  -0.01534   3.12506
   D191       3.13475   0.00009   0.00112   0.00246   0.00357   3.13832
   D192       0.00064  -0.00042  -0.00433  -0.01058  -0.01500  -0.01436
   D193       1.98436   0.00108   0.00960   0.00674   0.01634   2.00070
   D194      -1.16107   0.00108   0.00949   0.00629   0.01578  -1.14529
   D195      -1.15909   0.00107   0.00962   0.00638   0.01599  -1.14309
   D196       1.97867   0.00106   0.00950   0.00593   0.01543   1.99410
   D197       0.01837  -0.00018  -0.00270  -0.00526  -0.00795   0.01042
   D198       3.11953  -0.00032  -0.00366  -0.01089  -0.01453   3.10500
   D199      -3.13080   0.00034   0.00290   0.00799   0.01080  -3.12000
   D200      -0.02964   0.00020   0.00195   0.00236   0.00423  -0.02542
   D201       3.14090  -0.00000   0.00023   0.00001   0.00023   3.14114
   D202       0.00878   0.00017   0.00052  -0.00018   0.00033   0.00911
   D203      -0.00015  -0.00001   0.00018  -0.00010   0.00008  -0.00007
   D204      -3.13228   0.00016   0.00047  -0.00028   0.00018  -3.13210
   D205      -3.14159   0.00000   0.00030  -0.00002   0.00028  -3.14132
   D206       0.00994   0.00017   0.00049  -0.00042   0.00006   0.01000
   D207      -0.00053   0.00001   0.00035   0.00009   0.00043  -0.00011
   D208      -3.13219   0.00017   0.00054  -0.00032   0.00021  -3.13198
   D209       3.13595   0.00001   0.00037  -0.00012   0.00025   3.13620
   D210       0.00554   0.00017   0.00050  -0.00057  -0.00009   0.00546
   D211      -0.00073   0.00001   0.00045   0.00050   0.00094   0.00021
   D212      -3.13114   0.00017   0.00058   0.00004   0.00061  -3.13053
   D213      -3.13688  -0.00001   0.00017   0.00012   0.00028  -3.13659
   D214       0.01627   0.00015   0.00036  -0.00028   0.00007   0.01634
   D215      -0.00019  -0.00001   0.00009  -0.00050  -0.00041  -0.00060
   D216      -3.13023   0.00015   0.00028  -0.00089  -0.00063  -3.13086
   D217       3.13848   0.00000  -0.00024  -0.00009  -0.00032   3.13816
   D218      -0.01468  -0.00017  -0.00046   0.00002  -0.00043  -0.01511
   D219       0.00017   0.00001  -0.00014   0.00030   0.00016   0.00033
   D220       3.13020  -0.00016  -0.00036   0.00041   0.00006   3.13025
   D221      -3.13753   0.00000  -0.00028   0.00018  -0.00010  -3.13764
   D222      -0.00659  -0.00017  -0.00050   0.00034  -0.00015  -0.00674
   D223       0.00077  -0.00000  -0.00038  -0.00021  -0.00059   0.00019
   D224       3.13171  -0.00017  -0.00060  -0.00004  -0.00063   3.13108
   D225       0.00134  -0.00001  -0.00080  -0.00030  -0.00109   0.00025
   D226      -3.11954  -0.00018  -0.00189  -0.00622  -0.00813  -3.12767
   D227       3.13271  -0.00015  -0.00088   0.00014  -0.00072   3.13199
   D228       0.01183  -0.00032  -0.00197  -0.00578  -0.00776   0.00406
   D229       3.12326   0.00006   0.00175   0.00431   0.00606   3.12932
   D230      -0.03181   0.00036   0.00458   0.01237   0.01699  -0.01481
   D231      -0.00587   0.00023   0.00187   0.00379   0.00567  -0.00021
   D232       3.12225   0.00054   0.00470   0.01185   0.01659   3.13885
   D233      -0.00143   0.00000   0.00084  -0.00000   0.00082  -0.00061
   D234       3.11497   0.00023   0.00231   0.00748   0.00976   3.12473
   D235       3.11503   0.00022   0.00224   0.00725   0.00946   3.12449
   D236      -0.05176   0.00045   0.00371   0.01474   0.01840  -0.03336
   D237      -0.00790   0.00013   0.00056   0.00249   0.00307  -0.00482
   D238       3.13298   0.00014   0.00065   0.00332   0.00398   3.13696
   D239      -3.12193  -0.00011  -0.00095  -0.00543  -0.00636  -3.12829
   D240       0.01895  -0.00010  -0.00086  -0.00460  -0.00546   0.01349
   D241       0.00101   0.00001  -0.00058   0.00030  -0.00026   0.00075
   D242       3.13204  -0.00013  -0.00072   0.00070   0.00000   3.13204
   D243      -3.11982  -0.00016  -0.00173  -0.00580  -0.00756  -3.12738
   D244       0.01121  -0.00031  -0.00186  -0.00541  -0.00729   0.00391
   D245      -3.12206  -0.00011  -0.00104  -0.00564  -0.00667  -3.12873
   D246       0.01855  -0.00011  -0.00090  -0.00482  -0.00572   0.01283
   D247      -0.00809   0.00013   0.00054   0.00253   0.00309  -0.00500
   D248       3.13252   0.00014   0.00068   0.00336   0.00405   3.13657
   D249       3.12362   0.00004   0.00159   0.00383   0.00543   3.12905
   D250      -0.02857   0.00032   0.00407   0.01085   0.01496  -0.01360
   D251      -0.00509   0.00022   0.00179   0.00337   0.00516   0.00007
   D252       3.12591   0.00050   0.00427   0.01039   0.01469   3.14060
   D253       0.00076   0.00001  -0.00062   0.00007  -0.00054   0.00022
   D254      -3.12071  -0.00016  -0.00174  -0.00592  -0.00768  -3.12839
   D255       3.13369  -0.00014  -0.00086   0.00026  -0.00058   3.13311
   D256       0.01223  -0.00032  -0.00197  -0.00572  -0.00771   0.00451
   D257       3.12483   0.00004   0.00158   0.00393   0.00552   3.13035
   D258      -0.02921   0.00034   0.00431   0.01162   0.01598  -0.01324
   D259      -0.00620   0.00023   0.00189   0.00371   0.00560  -0.00060
   D260       3.12294   0.00053   0.00462   0.01141   0.01606   3.13900
   D261      -0.00106  -0.00000   0.00082  -0.00002   0.00079  -0.00027
   D262       3.11573   0.00022   0.00227   0.00747   0.00971   3.12544
   D263       3.11610   0.00022   0.00225   0.00732   0.00954   3.12563
   D264      -0.05030   0.00045   0.00371   0.01480   0.01846  -0.03184
   D265      -0.00816   0.00013   0.00056   0.00254   0.00312  -0.00505
   D266       3.13296   0.00014   0.00065   0.00327   0.00393   3.13689
   D267      -3.12296  -0.00011  -0.00098  -0.00547  -0.00644  -3.12940
   D268       0.01815  -0.00011  -0.00089  -0.00473  -0.00563   0.01253
   D269       0.00099  -0.00000  -0.00072  -0.00004  -0.00075   0.00024
   D270       3.13349  -0.00015  -0.00087   0.00035  -0.00049   3.13299
   D271      -3.12018  -0.00018  -0.00185  -0.00615  -0.00803  -3.12820
   D272       0.01232  -0.00032  -0.00200  -0.00575  -0.00777   0.00456
   D273      -3.12256  -0.00011  -0.00099  -0.00563  -0.00661  -3.12917
   D274       0.01836  -0.00011  -0.00087  -0.00480  -0.00566   0.01269
   D275      -0.00816   0.00014   0.00057   0.00254   0.00313  -0.00503
   D276       3.13276   0.00014   0.00069   0.00338   0.00408   3.13684
   D277       3.12415   0.00006   0.00171   0.00423   0.00595   3.13009
   D278      -0.02970   0.00035   0.00436   0.01174   0.01614  -0.01356
   D279      -0.00636   0.00024   0.00191   0.00377   0.00568  -0.00069
   D280       3.12297   0.00053   0.00456   0.01128   0.01587   3.13884
   D281      -0.00102  -0.00001   0.00060  -0.00027   0.00032  -0.00070
   D282       3.11954   0.00017   0.00176   0.00578   0.00757   3.12710
   D283      -3.13202   0.00014   0.00076  -0.00040   0.00034  -3.13169
   D284      -0.01147   0.00031   0.00192   0.00565   0.00759  -0.00388
   D285      -3.12335  -0.00004  -0.00159  -0.00371  -0.00531  -3.12866
   D286       0.02896  -0.00033  -0.00419  -0.01114  -0.01537   0.01359
   D287       0.00534  -0.00023  -0.00182  -0.00357  -0.00539  -0.00005
   D288      -3.12553  -0.00052  -0.00442  -0.01100  -0.01545  -3.14098
   D289       0.00146   0.00000  -0.00081   0.00014  -0.00066   0.00080
   D290      -3.11549  -0.00022  -0.00219  -0.00713  -0.00929  -3.12478
   D291      -3.11460  -0.00022  -0.00231  -0.00728  -0.00955  -3.12415
   D292       0.05164  -0.00045  -0.00368  -0.01455  -0.01818   0.03346
   D293       0.00814  -0.00013  -0.00057  -0.00261  -0.00320   0.00494
   D294      -3.13234  -0.00014  -0.00069  -0.00335  -0.00404  -3.13638
   D295       3.12175   0.00011   0.00103   0.00549   0.00650   3.12825
   D296      -0.01874   0.00011   0.00091   0.00475   0.00566  -0.01307
   D297      -0.00138   0.00000   0.00074   0.00004   0.00077  -0.00061
   D298      -3.13323   0.00015   0.00091  -0.00014   0.00075  -3.13248
   D299       3.11990   0.00017   0.00181   0.00598   0.00781   3.12771
   D300      -0.01195   0.00032   0.00197   0.00580   0.00779  -0.00416
   D301       3.12261   0.00011   0.00090   0.00537   0.00625   3.12886
   D302      -0.01836   0.00010   0.00083   0.00459   0.00542  -0.01294
   D303       0.00804  -0.00013  -0.00058  -0.00257  -0.00317   0.00487
   D304      -3.13293  -0.00014  -0.00065  -0.00335  -0.00400  -3.13693
   D305      -3.12380  -0.00005  -0.00163  -0.00395  -0.00558  -3.12939
   D306       0.03105  -0.00035  -0.00445  -0.01196  -0.01646   0.01460
   D307       0.00591  -0.00024  -0.00186  -0.00375  -0.00561   0.00030
   D308      -3.12242  -0.00054  -0.00468  -0.01176  -0.01648  -3.13890
   D309      -0.00066   0.00011   0.00075   0.00216   0.00291   0.00225
   D310      -3.13888  -0.00006  -0.00144  -0.00255  -0.00399   3.14031
   D311      -3.14127   0.00011   0.00061   0.00134   0.00195  -3.13932
   D312       0.00370  -0.00006  -0.00158  -0.00337  -0.00495  -0.00125
   D313       0.00690  -0.00020  -0.00083  -0.00426  -0.00509   0.00181
   D314      -3.14068  -0.00015  -0.00187  -0.00298  -0.00485   3.13766
   D315      -3.13806  -0.00003   0.00136   0.00044   0.00179  -3.13626
   D316      -0.00245   0.00002   0.00032   0.00172   0.00204  -0.00041
   D317      -0.00394   0.00003  -0.00042   0.00146   0.00102  -0.00292
   D318      -3.13490  -0.00025  -0.00297  -0.00562  -0.00855   3.13973
   D319      -3.13954  -0.00002   0.00062   0.00015   0.00075  -3.13879
   D320       0.01269  -0.00030  -0.00193  -0.00693  -0.00882   0.00386
   D321      -0.00381   0.00003  -0.00041   0.00138   0.00096  -0.00285
   D322      -3.14087  -0.00001   0.00085   0.00060   0.00143  -3.13945
   D323      -3.13189  -0.00028  -0.00332  -0.00675  -0.01002   3.14127
   D324       0.01423  -0.00032  -0.00206  -0.00752  -0.00955   0.00468
   D325       0.00757  -0.00021  -0.00093  -0.00458  -0.00551   0.00206
   D326      -3.13853  -0.00002   0.00145   0.00058   0.00203  -3.13649
   D327      -3.13854  -0.00017  -0.00219  -0.00382  -0.00600   3.13864
   D328      -0.00145   0.00001   0.00020   0.00134   0.00154   0.00009
   D329      -0.00148   0.00012   0.00083   0.00253   0.00336   0.00188
   D330       3.14083   0.00012   0.00075   0.00170   0.00246  -3.13990
   D331      -3.13856  -0.00006  -0.00156  -0.00264  -0.00420   3.14043
   D332       0.00375  -0.00006  -0.00164  -0.00346  -0.00510  -0.00135
   D333      -0.00143   0.00012   0.00083   0.00241   0.00323   0.00181
   D334      -3.13897  -0.00006  -0.00148  -0.00256  -0.00405   3.14017
   D335       3.14084   0.00012   0.00071   0.00158   0.00229  -3.14005
   D336       0.00330  -0.00006  -0.00160  -0.00339  -0.00499  -0.00169
   D337       0.00751  -0.00020  -0.00092  -0.00445  -0.00538   0.00214
   D338      -3.13948  -0.00016  -0.00203  -0.00338  -0.00541   3.13830
   D339      -3.13813  -0.00003   0.00139   0.00051   0.00189  -3.13623
   D340      -0.00193   0.00002   0.00027   0.00159   0.00186  -0.00007
   D341      -0.00354   0.00003  -0.00043   0.00133   0.00088  -0.00265
   D342      -3.13282  -0.00027  -0.00316  -0.00625  -0.00936   3.14100
   D343      -3.13972  -0.00002   0.00068   0.00024   0.00089  -3.13883
   D344       0.01417  -0.00032  -0.00204  -0.00735  -0.00936   0.00482
   D345      -0.00366   0.00003  -0.00043   0.00138   0.00094  -0.00272
   D346      -3.14009  -0.00001   0.00074   0.00034   0.00106  -3.13903
   D347      -3.13276  -0.00027  -0.00323  -0.00638  -0.00956   3.14086
   D348       0.01400  -0.00032  -0.00206  -0.00742  -0.00944   0.00455
   D349       0.00754  -0.00020  -0.00091  -0.00449  -0.00540   0.00214
   D350      -3.13834  -0.00002   0.00143   0.00055   0.00198  -3.13636
   D351      -3.13920  -0.00016  -0.00208  -0.00346  -0.00554   3.13844
   D352      -0.00190   0.00002   0.00026   0.00157   0.00184  -0.00006
   D353      -0.00139   0.00012   0.00083   0.00242   0.00324   0.00185
   D354       3.14067   0.00012   0.00074   0.00168   0.00242  -3.14009
   D355      -3.13869  -0.00006  -0.00153  -0.00263  -0.00416   3.14034
   D356       0.00338  -0.00006  -0.00161  -0.00336  -0.00497  -0.00160
   D357       0.00139  -0.00012  -0.00082  -0.00245  -0.00327  -0.00187
   D358       3.13862   0.00006   0.00154   0.00261   0.00416  -3.14041
   D359      -3.14082  -0.00012  -0.00075  -0.00168  -0.00244   3.13993
   D360      -0.00360   0.00006   0.00161   0.00338   0.00499   0.00139
   D361      -0.00756   0.00021   0.00094   0.00456   0.00550  -0.00206
   D362       3.13889   0.00017   0.00211   0.00362   0.00573  -3.13857
   D363       3.13839   0.00003  -0.00142  -0.00049  -0.00191   3.13648
   D364       0.00165  -0.00001  -0.00024  -0.00143  -0.00168  -0.00002
   D365       0.00383  -0.00003   0.00039  -0.00142  -0.00102   0.00281
   D366       3.13212   0.00028   0.00329   0.00666   0.00990  -3.14117
   D367       3.14055   0.00001  -0.00079  -0.00047  -0.00123   3.13932
   D368      -0.01434   0.00032   0.00211   0.00761   0.00969  -0.00466
   D369       0.00392  -0.00003   0.00041  -0.00145  -0.00103   0.00289
   D370       3.13939   0.00002  -0.00068  -0.00026  -0.00092   3.13848
   D371       3.13476   0.00026   0.00307   0.00604   0.00906  -3.13936
   D372      -0.01295   0.00031   0.00198   0.00723   0.00918  -0.00377
   D373      -0.00708   0.00020   0.00087   0.00440   0.00528  -0.00180
   D374       3.13774   0.00003  -0.00137  -0.00042  -0.00178   3.13596
   D375       3.14062   0.00016   0.00196   0.00323   0.00519  -3.13737
   D376       0.00225  -0.00002  -0.00028  -0.00159  -0.00187   0.00038
   D377       0.00081  -0.00012  -0.00077  -0.00226  -0.00303  -0.00221
   D378       3.14130  -0.00011  -0.00065  -0.00153  -0.00219   3.13911
   D379       3.13918   0.00006   0.00147   0.00257   0.00405  -3.13996
   D380      -0.00352   0.00006   0.00159   0.00330   0.00489   0.00136
         Item               Value     Threshold  Converged?
 Maximum Force            0.007969     0.000450     NO 
 RMS     Force            0.000782     0.000300     NO 
 Maximum Displacement     0.735674     0.001800     NO 
 RMS     Displacement     0.135814     0.001200     NO 
 Predicted change in Energy=-2.866859D-03
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C74H46ClN5
 Framework group  C1[X(C74H46ClN5)]
 Deg. of freedom   372
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        1.252134    2.438183    0.034482
      2          6           0        1.593374    1.084686    0.032176
      3          6           0        0.630375    0.061349    0.115960
      4          6           0       -0.732919    0.434940    0.173400
      5          6           0       -1.083398    1.798099    0.178235
      6          6           0       -0.114700    2.781336    0.116684
      7          6           0        0.997827   -1.363716    0.146755
      8          6           0       -0.009622   -2.372036    0.199556
      9          6           0       -1.407026   -1.983991    0.172733
     10          6           0       -1.777098   -0.586306    0.188985
     11          6           0        2.340676   -1.771840    0.156869
     12          6           0        2.725976   -3.114857    0.210219
     13          6           0        1.712978   -4.089480    0.284936
     14          6           0        0.379374   -3.727209    0.284622
     15          7           0       -2.399938   -2.888054    0.111536
     16          6           0       -3.711853   -2.513382    0.087415
     17          6           0       -4.024256   -1.124147    0.137579
     18          7           0       -3.043410   -0.195372    0.195322
     19          6           0       -4.756844   -3.464998    0.006271
     20          6           0       -6.058763   -3.024074   -0.015513
     21          6           0       -6.409192   -1.637144    0.037260
     22          6           0       -5.378638   -0.713775    0.118545
     23          6           0        2.297659    3.485514   -0.051367
     24          6           0        4.157177   -3.495310    0.198721
     25          6           0       -7.831638   -1.210915    0.003014
     26          6           0        4.617661   -4.601712    0.933721
     27          6           0        5.963325   -4.957724    0.930759
     28          6           0        6.885232   -4.223411    0.174891
     29          6           0        6.439537   -3.124944   -0.570583
     30          6           0        5.095442   -2.764237   -0.550941
     31          6           0        2.070883    4.675950   -0.763428
     32          6           0        3.053067    5.658411   -0.855551
     33          6           0        4.288792    5.481254   -0.221932
     34          6           0        4.526082    4.304651    0.499011
     35          6           0        3.544676    3.320414    0.576240
     36          6           0       -8.868756   -2.080973    0.385151
     37          6           0      -10.200653   -1.676279    0.364574
     38          6           0      -10.540785   -0.386604   -0.057395
     39          6           0       -9.522062    0.490768   -0.449888
     40          6           0       -8.192908    0.084303   -0.412999
     41          7           0        5.290403    6.485447   -0.307573
     42          7           0        8.257331   -4.590306    0.161109
     43          7           0      -11.898460    0.026873   -0.090209
     44          6           0        8.779870   -5.772554   -0.369339
     45          6           0       10.188744   -5.768722   -0.199931
     46          6           0       10.527488   -4.526873    0.463179
     47          6           0        9.310581   -3.826284    0.668954
     48          6           0        6.513140    6.362603   -0.971260
     49          6           0        7.236125    7.575780   -0.831362
     50          6           0        6.408519    8.468096   -0.046796
     51          6           0        5.216489    7.760640    0.257514
     52          6           0      -12.464896    1.028003    0.702890
     53          6           0      -13.840006    1.150811    0.374866
     54          6           0      -14.111371    0.179056   -0.663862
     55          6           0      -12.890425   -0.495570   -0.924146
     56          6           0       11.729260   -3.962461    0.908297
     57          6           0       11.703378   -2.721701    1.538425
     58          6           0       10.488198   -2.040478    1.730630
     59          6           0        9.277943   -2.580704    1.302314
     60          6           0        8.117320   -6.833500   -0.993058
     61          6           0        8.889253   -7.899335   -1.449091
     62          6           0       10.286905   -7.911427   -1.293341
     63          6           0       10.940894   -6.851447   -0.672310
     64          6           0        6.573485    9.774148    0.430868
     65          6           0        5.559653   10.351641    1.189660
     66          6           0        4.383508    9.636438    1.477808
     67          6           0        4.195060    8.334737    1.019556
     68          6           0        7.027028    5.279346   -1.689611
     69          6           0        8.283743    5.426775   -2.271752
     70          6           0        9.013124    6.622730   -2.147153
     71          6           0        8.495640    7.698228   -1.431151
     72          6           0      -15.255223   -0.163121   -1.395658
     73          6           0      -15.169184   -1.163425   -2.359562
     74          6           0      -13.951208   -1.823615   -2.601091
     75          6           0      -12.797225   -1.500180   -1.891338
     76          6           0      -11.870528    1.820706    1.688690
     77          6           0      -12.676648    2.745884    2.347706
     78          6           0      -14.042009    2.879457    2.038553
     79          6           0      -14.628281    2.086045    1.056724
     80          1           0       -2.257584   -4.007163    0.322201
     81          1           0        2.639864    0.829562   -0.075016
     82          1           0       -2.132770    2.060111    0.235263
     83          1           0       -0.409274    3.824840    0.155176
     84          1           0        3.123718   -1.025077    0.163070
     85          1           0        1.968319   -5.143315    0.316884
     86          1           0       -0.365342   -4.510677    0.351278
     87          1           0       -4.508937   -4.521131   -0.010862
     88          1           0       -6.841756   -3.768390   -0.102517
     89          1           0       -5.560895    0.351418    0.194017
     90          1           0        3.924555   -5.166980    1.547995
     91          1           0        6.307716   -5.801979    1.519060
     92          1           0        7.148921   -2.565012   -1.171185
     93          1           0        4.763607   -1.932340   -1.163856
     94          1           0        1.131462    4.818944   -1.287440
     95          1           0        2.871046    6.563927   -1.425227
     96          1           0        5.476982    4.171955    1.004805
     97          1           0        3.734333    2.431475    1.169367
     98          1           0       -8.643284   -3.076800    0.749141
     99          1           0      -10.982286   -2.358093    0.683195
    100          1           0       -9.778880    1.487576   -0.793147
    101          1           0       -7.432806    0.777193   -0.756527
    102          1           0       12.669734   -4.486253    0.763704
    103          1           0       12.628949   -2.275411    1.888524
    104          1           0       10.490860   -1.075182    2.227981
    105          1           0        8.343646   -2.051038    1.455052
    106          1           0        7.039659   -6.830597   -1.116769
    107          1           0        8.399853   -8.735629   -1.939141
    108          1           0       10.859941   -8.755469   -1.664347
    109          1           0       12.020677   -6.863956   -0.555405
    110          1           0        7.480840   10.329576    0.211870
    111          1           0        5.677479   11.362982    1.566142
    112          1           0        3.606742   10.105491    2.074272
    113          1           0        3.285782    7.788029    1.245627
    114          1           0        6.468903    4.354523   -1.789795
    115          1           0        8.705525    4.601435   -2.837485
    116          1           0        9.987998    6.707058   -2.617172
    117          1           0        9.061757    8.620562   -1.338610
    118          1           0      -16.197525    0.345359   -1.213327
    119          1           0      -16.049310   -1.436066   -2.933541
    120          1           0      -13.906095   -2.599083   -3.359827
    121          1           0      -11.860799   -2.013149   -2.082932
    122          1           0      -10.818377    1.721256    1.933383
    123          1           0      -12.240846    3.372484    3.120074
    124          1           0      -14.643991    3.606657    2.574487
    125          1           0      -15.683725    2.190854    0.822668
    126         17           0       -2.314278   -5.639866    0.863745
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           0.0229302           0.0074356           0.0057462
 Standard basis: 6-31G(d,p) (6D, 7F)
 There are  1434 symmetry adapted cartesian basis functions of A   symmetry.
 There are  1434 symmetry adapted basis functions of A   symmetry.
  1434 basis functions,  2586 primitive gaussians,  1434 cartesian basis functions
   271 alpha electrons      271 beta electrons
       nuclear repulsion energy     10544.6402137814 Hartrees.
 NAtoms=  126 NActive=  126 NUniq=  126 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=T Big=T
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 One-electron integrals computed using PRISM.
 NBasis=  1434 RedAO= T EigKep=  1.53D-04  NBF=  1434
 NBsUse=  1434 1.00D-06 EigRej= -1.00D+00 NBFU=  1434
 Initial guess from the checkpoint file:  "ph.chk"
 B after Tr=     0.000000    0.000000   -0.000000
         Rot=    0.999991    0.004309   -0.000032    0.000411 Ang=   0.50 deg.
 ExpMin= 1.43D-01 ExpMax= 2.52D+04 ExpMxC= 3.78D+03 IAcc=2 IRadAn=         4 AccDes= 0.00D+00
 Harris functional with IExCor=  402 and IRadAn=       4 diagonalized for initial guess.
 HarFok:  IExCor=  402 AccDes= 0.00D+00 IRadAn=         4 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=        2001
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Petite list used in FoFCou.
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Integral accuracy reduced to 1.0D-05 until final iterations.
 Initial convergence to 1.0D-05 achieved.  Increase integral accuracy.
 SCF Done:  E(RB3LYP) =  -3581.77659502     A.U. after   12 cycles
            NFock= 12  Conv=0.71D-08     -V/T= 2.0089
 Calling FoFJK, ICntrl=      2127 FMM=T ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.001122874    0.000102226    0.000077355
      2        6           0.000321720   -0.000338939    0.000263670
      3        6          -0.000221956    0.000543494   -0.000120838
      4        6           0.000090990    0.000284168    0.000173973
      5        6          -0.000734694    0.000142693    0.000043527
      6        6           0.000332888   -0.000455281   -0.000348451
      7        6           0.000462926   -0.000646448   -0.000622315
      8        6          -0.001619533   -0.001547819   -0.001025400
      9        6           0.000809856    0.002219437    0.001653318
     10        6           0.000197653   -0.000964257    0.000845215
     11        6          -0.000388584   -0.000056579   -0.000020101
     12        6           0.000464869    0.000738045   -0.000388402
     13        6           0.000741203    0.000553377    0.000118781
     14        6          -0.002568037    0.000891093    0.001997368
     15        7           0.000193845    0.002385406   -0.005583553
     16        6           0.000007860   -0.000406263    0.001303587
     17        6          -0.000518088    0.000169097    0.000865257
     18        7          -0.000482455    0.000551123    0.000499554
     19        6           0.000171955    0.000033514   -0.001613175
     20        6          -0.000723274   -0.000839534    0.001316713
     21        6          -0.000345768    0.000623723   -0.000247796
     22        6           0.000283757   -0.000112920   -0.001068782
     23        6          -0.000546472    0.000279149   -0.000117111
     24        6          -0.000612690   -0.000158731   -0.000004791
     25        6          -0.000004113    0.000048687    0.000014871
     26        6          -0.000597004   -0.000071139   -0.000186090
     27        6           0.000495608   -0.000477787    0.001022225
     28        6           0.000974594    0.000640661    0.000027608
     29        6          -0.000330396    0.000656505   -0.001035094
     30        6          -0.000345732   -0.000789893    0.000094409
     31        6          -0.000765611   -0.000002848    0.000126524
     32        6           0.000494069    0.000454431   -0.000965965
     33        6           0.001066160   -0.000639606    0.000014228
     34        6          -0.000315307   -0.000529849    0.001028128
     35        6          -0.000264875    0.000598050   -0.000184959
     36        6           0.000368126    0.000500967   -0.001095373
     37        6           0.000011187   -0.000473958    0.001230533
     38        6          -0.001010350   -0.000446355   -0.000006050
     39        6          -0.000007209    0.000300112   -0.001296914
     40        6           0.000450764   -0.000040065    0.001111698
     41        7           0.001444271   -0.000759694    0.000064278
     42        7           0.001480779    0.000939271   -0.000012947
     43        7          -0.001565350   -0.001009688   -0.000084518
     44        6          -0.000170317   -0.002841781   -0.000408534
     45        6           0.000052180    0.000111139    0.001075201
     46        6           0.000087655   -0.000024451   -0.001078417
     47        6          -0.002547552    0.001172045    0.000443389
     48        6          -0.002515907   -0.001314041   -0.000378005
     49        6           0.000086593    0.000079924    0.001068989
     50        6           0.000073629   -0.000173047   -0.001067671
     51        6          -0.000260292    0.002831009    0.000217099
     52        6          -0.000017930    0.002928701   -0.000275746
     53        6           0.000152677   -0.000369846   -0.000994749
     54        6          -0.000339348    0.000246996    0.000987194
     55        6           0.002735021   -0.001183973    0.000383476
     56        6           0.000269523    0.000487533    0.000278130
     57        6           0.000467280    0.000231462   -0.000025376
     58        6          -0.000580980   -0.000819474   -0.000038349
     59        6           0.000390296   -0.000094948    0.000360506
     60        6           0.000079634    0.000377671   -0.000378429
     61        6          -0.000981987   -0.000119980    0.000062918
     62        6           0.000409554    0.000311694    0.000021746
     63        6           0.000555527    0.000002491   -0.000277012
     64        6           0.000553015    0.000039680    0.000286996
     65        6           0.000425950   -0.000300434    0.000006555
     66        6          -0.000989017    0.000085131   -0.000086016
     67        6           0.000073759   -0.000369671    0.000414524
     68        6           0.000391293    0.000099077   -0.000369368
     69        6          -0.000600359    0.000790225   -0.000002062
     70        6           0.000482712   -0.000197233    0.000049006
     71        6           0.000285921   -0.000500683   -0.000234988
     72        6          -0.000198428   -0.000559316   -0.000165574
     73        6          -0.000471477   -0.000227848   -0.000011734
     74        6           0.000539473    0.000832039   -0.000043152
     75        6          -0.000291885   -0.000002662   -0.000453953
     76        6          -0.000129265   -0.000287315    0.000432018
     77        6           0.000976554    0.000177775    0.000095940
     78        6          -0.000404470   -0.000332449   -0.000018689
     79        6          -0.000604688    0.000025539    0.000154010
     80        1          -0.000384339    0.000884458    0.000927706
     81        1           0.000135576   -0.000130485   -0.000329497
     82        1           0.000316853   -0.000251920    0.000033583
     83        1          -0.000350142    0.000095107    0.000137730
     84        1          -0.000017352    0.000222899    0.000246117
     85        1          -0.000225420    0.000043971   -0.000151368
     86        1           0.001088170   -0.000729608    0.000463552
     87        1          -0.000228547    0.000342163    0.000342730
     88        1           0.000460204    0.000576420    0.000160732
     89        1           0.000328852    0.000152334    0.000000148
     90        1           0.000316468    0.000042499    0.000151162
     91        1          -0.000330776    0.000151855   -0.000168464
     92        1          -0.000069586   -0.000375316    0.000183726
     93        1           0.000085943    0.000234850   -0.000156603
     94        1           0.000323006    0.000021492   -0.000140279
     95        1          -0.000343185   -0.000154782    0.000163809
     96        1          -0.000037120    0.000372639   -0.000185721
     97        1           0.000086117   -0.000176491    0.000172243
     98        1          -0.000557238   -0.000446649   -0.000010965
     99        1           0.000082807    0.000334028   -0.000201884
    100        1           0.000339452   -0.000052745    0.000225484
    101        1          -0.000397981   -0.000318018    0.000008874
    102        1           0.000083443   -0.000142183    0.000036794
    103        1          -0.000022842    0.000136839    0.000055286
    104        1           0.000033191    0.000136710    0.000036598
    105        1           0.000212483   -0.000240930   -0.000149142
    106        1          -0.000102234    0.000304085    0.000168230
    107        1           0.000133096   -0.000033140   -0.000048443
    108        1           0.000113441   -0.000088251   -0.000068034
    109        1          -0.000091802    0.000139743   -0.000038853
    110        1          -0.000081389   -0.000145791    0.000041556
    111        1           0.000109761    0.000089018    0.000061395
    112        1           0.000131091    0.000039904    0.000045453
    113        1          -0.000083579   -0.000314883   -0.000153331
    114        1           0.000204749    0.000251487    0.000152366
    115        1           0.000036113   -0.000133649   -0.000036843
    116        1          -0.000011518   -0.000144028   -0.000057158
    117        1           0.000082007    0.000143940   -0.000043369
    118        1          -0.000079380    0.000120618   -0.000087704
    119        1           0.000031880   -0.000154111   -0.000023345
    120        1          -0.000019399   -0.000139840   -0.000016854
    121        1          -0.000244004    0.000260108    0.000062888
    122        1           0.000138147   -0.000305001   -0.000055162
    123        1          -0.000139608    0.000034381    0.000008950
    124        1          -0.000126085    0.000086003    0.000019111
    125        1           0.000075552   -0.000124821    0.000089238
    126       17           0.002990322   -0.004613461    0.000233493
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.005583553 RMS     0.000759965

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.004846570 RMS     0.000514992
 Search for a local minimum.
 Step number  10 out of a maximum of  756
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points    9   10
 DE= -3.31D-03 DEPred=-2.87D-03 R= 1.15D+00
 TightC=F SS=  1.41D+00  RLast= 4.60D-01 DXNew= 5.0454D+00 1.3808D+00
 Trust test= 1.15D+00 RLast= 4.60D-01 DXMaxT set to 3.00D+00
 ITU=  1  1  1  1  1  1  1  0  1  0
     Eigenvalues ---    0.00963   0.01429   0.02468   0.02576   0.02652
     Eigenvalues ---    0.02673   0.02678   0.02689   0.02693   0.02700
     Eigenvalues ---    0.02706   0.02707   0.02707   0.02708   0.02715
     Eigenvalues ---    0.02717   0.02719   0.02728   0.02741   0.02754
     Eigenvalues ---    0.02756   0.02761   0.02766   0.02768   0.02768
     Eigenvalues ---    0.02773   0.02785   0.02786   0.02786   0.02786
     Eigenvalues ---    0.02790   0.02792   0.02792   0.02792   0.02793
     Eigenvalues ---    0.02793   0.02793   0.02793   0.02797   0.02800
     Eigenvalues ---    0.02801   0.02801   0.02802   0.02802   0.02802
     Eigenvalues ---    0.02808   0.02808   0.02808   0.02809   0.02810
     Eigenvalues ---    0.02812   0.02817   0.02818   0.02818   0.02818
     Eigenvalues ---    0.02819   0.02819   0.02819   0.02827   0.02833
     Eigenvalues ---    0.02836   0.02838   0.02845   0.02845   0.02845
     Eigenvalues ---    0.02845   0.02845   0.02849   0.02851   0.02859
     Eigenvalues ---    0.02861   0.02863   0.02868   0.02868   0.02868
     Eigenvalues ---    0.02872   0.02872   0.02872   0.02876   0.02877
     Eigenvalues ---    0.02877   0.02877   0.02877   0.02878   0.02883
     Eigenvalues ---    0.02884   0.02884   0.02885   0.02885   0.02885
     Eigenvalues ---    0.02885   0.02885   0.02885   0.02886   0.02890
     Eigenvalues ---    0.02894   0.02895   0.02896   0.02897   0.02897
     Eigenvalues ---    0.02897   0.02898   0.02898   0.02902   0.02909
     Eigenvalues ---    0.02909   0.02926   0.02941   0.02941   0.02964
     Eigenvalues ---    0.02992   0.03025   0.03026   0.03026   0.03096
     Eigenvalues ---    0.03136   0.03136   0.03136   0.03149   0.03153
     Eigenvalues ---    0.03276   0.03346   0.03913   0.04870   0.09719
     Eigenvalues ---    0.15509   0.15816   0.15958   0.15982   0.15985
     Eigenvalues ---    0.15986   0.15987   0.15988   0.15989   0.15994
     Eigenvalues ---    0.15995   0.15996   0.15997   0.15999   0.15999
     Eigenvalues ---    0.15999   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16001   0.16004   0.16023   0.16056   0.16147
     Eigenvalues ---    0.17246   0.22000   0.22000   0.22000   0.22000
     Eigenvalues ---    0.22000   0.22001   0.22001   0.22002   0.22027
     Eigenvalues ---    0.22097   0.22433   0.22447   0.22529   0.22602
     Eigenvalues ---    0.22602   0.22603   0.22603   0.22603   0.22693
     Eigenvalues ---    0.22966   0.22968   0.23071   0.23451   0.23492
     Eigenvalues ---    0.23523   0.23956   0.24000   0.24095   0.24380
     Eigenvalues ---    0.24490   0.24495   0.24495   0.24502   0.24542
     Eigenvalues ---    0.24543   0.24615   0.24699   0.24782   0.24965
     Eigenvalues ---    0.24971   0.24993   0.24993   0.24994   0.24996
     Eigenvalues ---    0.24997   0.24997   0.24999   0.24999   0.25000
     Eigenvalues ---    0.25000   0.25000   0.25000   0.25000   0.25000
     Eigenvalues ---    0.25000   0.25005   0.25028   0.25038   0.25366
     Eigenvalues ---    0.26293   0.31494   0.33233   0.33248   0.33252
     Eigenvalues ---    0.33254   0.33256   0.33257   0.33295   0.33322
     Eigenvalues ---    0.33390   0.33393   0.33396   0.33399   0.33401
     Eigenvalues ---    0.33432   0.33562   0.33567   0.33570   0.33572
     Eigenvalues ---    0.33577   0.33613   0.33619   0.33629   0.33642
     Eigenvalues ---    0.33647   0.33651   0.33663   0.33687   0.33709
     Eigenvalues ---    0.33717   0.33733   0.33813   0.33829   0.33831
     Eigenvalues ---    0.33835   0.33840   0.33892   0.33929   0.33930
     Eigenvalues ---    0.33932   0.33936   0.33940   0.34058   0.34950
     Eigenvalues ---    0.35000   0.35185   0.44432   0.44433   0.44433
     Eigenvalues ---    0.45052   0.47457   0.48155   0.48638   0.48978
     Eigenvalues ---    0.48979   0.49284   0.49294   0.49493   0.49795
     Eigenvalues ---    0.49821   0.49823   0.49923   0.49962   0.49986
     Eigenvalues ---    0.50135   0.50410   0.50413   0.50624   0.50626
     Eigenvalues ---    0.50629   0.50774   0.51834   0.52311   0.52413
     Eigenvalues ---    0.52562   0.52975   0.53617   0.54104   0.54110
     Eigenvalues ---    0.54199   0.54201   0.54203   0.54434   0.54450
     Eigenvalues ---    0.54674   0.54997   0.55188   0.55207   0.55316
     Eigenvalues ---    0.55333   0.55351   0.55369   0.55388   0.55433
     Eigenvalues ---    0.55453   0.55644   0.55710   0.55711   0.55719
     Eigenvalues ---    0.55935   0.55946   0.55949   0.56144   0.56147
     Eigenvalues ---    0.56147   0.56152   0.56280   0.56284   0.56289
     Eigenvalues ---    0.56494   0.56662   0.56664   0.56669   0.56670
     Eigenvalues ---    0.56676   0.56680   0.56759   0.56775   0.56870
     Eigenvalues ---    0.56902   0.56906   0.57124   0.57169   0.57171
     Eigenvalues ---    0.57172   0.57182   0.57183   0.60411   0.60906
     Eigenvalues ---    0.64191   0.65125   0.66086   0.66090   0.67702
     Eigenvalues ---    0.67708   0.67715   0.70105   0.70132   0.70297
     Eigenvalues ---    0.73875   0.76170
 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF=       -3 using points:    10    9
 RFO step:  Lambda=-3.33352074D-03.
 DidBck=F Rises=F RFO-DIIS coefs:    1.89619   -0.89619
 Iteration  1 RMS(Cart)=  0.19425566 RMS(Int)=  0.00612266
 Iteration  2 RMS(Cart)=  0.03532435 RMS(Int)=  0.00055946
 Iteration  3 RMS(Cart)=  0.00059143 RMS(Int)=  0.00053654
 Iteration  4 RMS(Cart)=  0.00000030 RMS(Int)=  0.00053654
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        2.63778   0.00023   0.00255   0.00020   0.00276   2.64054
    R2        2.66762  -0.00061   0.00137  -0.00139  -0.00001   2.66762
    R3        2.80126   0.00057  -0.00825   0.00345  -0.00480   2.79646
    R4        2.66016  -0.00057   0.00042  -0.00161  -0.00120   2.65896
    R5        2.04555  -0.00008  -0.00094   0.00010  -0.00084   2.04471
    R6        2.67344  -0.00129   0.00666  -0.00390   0.00269   2.67613
    R7        2.78167  -0.00026  -0.00322   0.00061  -0.00271   2.77896
    R8        2.65979  -0.00026  -0.00068  -0.00077  -0.00146   2.65834
    R9        2.76023  -0.00093  -0.00031  -0.00224  -0.00251   2.75772
   R10        2.61091  -0.00057   0.00256  -0.00199   0.00058   2.61150
   R11        2.04674   0.00015   0.00029   0.00051   0.00080   2.04754
   R12        2.05029   0.00008  -0.00044   0.00020  -0.00024   2.05005
   R13        2.69539   0.00069   0.00226  -0.00011   0.00206   2.69746
   R14        2.65230  -0.00034   0.00361  -0.00142   0.00205   2.65435
   R15        2.74110   0.00345   0.00700   0.00384   0.01090   2.75200
   R16        2.66916  -0.00031  -0.00280  -0.00045  -0.00316   2.66601
   R17        2.73243   0.00056   0.00145  -0.00201  -0.00067   2.73176
   R18        2.54022   0.00272  -0.00825   0.00437  -0.00305   2.53718
   R19        2.50445  -0.00080   0.00640  -0.00190   0.00351   2.50796
   R20        2.64224  -0.00090  -0.00085  -0.00172  -0.00268   2.63956
   R21        2.04479   0.00009  -0.00074   0.00069  -0.00006   2.04473
   R22        2.66018   0.00002   0.00285   0.00037   0.00326   2.66344
   R23        2.79859   0.00057  -0.00748   0.00318  -0.00430   2.79429
   R24        2.61147  -0.00040  -0.00063  -0.00112  -0.00161   2.60986
   R25        2.04997  -0.00007  -0.00033  -0.00062  -0.00094   2.04903
   R26        2.04656   0.00133  -0.00848   0.00555  -0.00293   2.04362
   R27        2.57869  -0.00035  -0.00043  -0.00072  -0.00021   2.57848
   R28        2.16870   0.00136  -0.00032  -0.00334  -0.00152   2.16718
   R29        5.39338   0.00274  -0.08284   0.14141   0.05639   5.44977
   R30        2.69250  -0.00011   0.00920  -0.00145   0.00807   2.70057
   R31        2.67526  -0.00048   0.00587  -0.00267   0.00338   2.67864
   R32        2.55499  -0.00127   0.00106  -0.00152  -0.00123   2.55376
   R33        2.67456  -0.00007   0.00248  -0.00071   0.00174   2.67630
   R34        2.59786  -0.00063   0.00008  -0.00158  -0.00147   2.59639
   R35        2.05030  -0.00031  -0.00045  -0.00113  -0.00158   2.04872
   R36        2.70512  -0.00010   0.00130  -0.00056   0.00058   2.70570
   R37        2.04811   0.00018   0.00058   0.00056   0.00114   2.04925
   R38        2.61934  -0.00082   0.00062  -0.00215  -0.00170   2.61764
   R39        2.80686  -0.00091  -0.00906  -0.00108  -0.01015   2.79672
   R40        2.04715   0.00011  -0.00009   0.00079   0.00070   2.04785
   R41        2.65612  -0.00005   0.00184  -0.00038   0.00145   2.65758
   R42        2.65653  -0.00009   0.00104  -0.00051   0.00053   2.65706
   R43        2.65666  -0.00010   0.00151  -0.00045   0.00105   2.65771
   R44        2.65693  -0.00002   0.00098  -0.00039   0.00059   2.65752
   R45        2.65817  -0.00033   0.00201  -0.00132   0.00068   2.65885
   R46        2.65987  -0.00030   0.00083  -0.00122  -0.00039   2.65947
   R47        2.63043  -0.00042   0.00068  -0.00124  -0.00056   2.62988
   R48        2.05038   0.00016   0.00007   0.00045   0.00052   2.05090
   R49        2.64593  -0.00040   0.00256  -0.00132   0.00124   2.64717
   R50        2.05057  -0.00004   0.00050  -0.00109  -0.00059   2.04998
   R51        2.64630  -0.00053   0.00243  -0.00163   0.00080   2.64710
   R52        2.68411   0.00014   0.00057  -0.00006   0.00051   2.68463
   R53        2.63011  -0.00038   0.00096  -0.00119  -0.00023   2.62988
   R54        2.05057   0.00000   0.00052  -0.00096  -0.00045   2.05012
   R55        2.05088   0.00013  -0.00036   0.00078   0.00042   2.05130
   R56        2.63100  -0.00044   0.00064  -0.00127  -0.00064   2.63036
   R57        2.05063   0.00019  -0.00017   0.00060   0.00043   2.05106
   R58        2.64553  -0.00047   0.00275  -0.00157   0.00118   2.64671
   R59        2.05070  -0.00003   0.00048  -0.00102  -0.00054   2.05016
   R60        2.64593  -0.00056   0.00241  -0.00169   0.00072   2.64665
   R61        2.68512   0.00019   0.00048   0.00011   0.00059   2.68570
   R62        2.63062  -0.00036   0.00099  -0.00114  -0.00015   2.63047
   R63        2.05072  -0.00004   0.00058  -0.00114  -0.00056   2.05016
   R64        2.05101   0.00009  -0.00014   0.00052   0.00037   2.05139
   R65        2.63083  -0.00045   0.00036  -0.00124  -0.00088   2.62995
   R66        2.04841   0.00039   0.00045   0.00151   0.00196   2.05037
   R67        2.64360  -0.00020   0.00310  -0.00078   0.00233   2.64593
   R68        2.05045  -0.00003   0.00049  -0.00104  -0.00056   2.04990
   R69        2.64672  -0.00042   0.00265  -0.00128   0.00138   2.64810
   R70        2.68269   0.00002   0.00037  -0.00018   0.00018   2.68288
   R71        2.62748  -0.00020   0.00085  -0.00062   0.00023   2.62771
   R72        2.05051  -0.00002   0.00048  -0.00101  -0.00054   2.04998
   R73        2.04917   0.00021   0.00049   0.00104   0.00153   2.05069
   R74        2.63930   0.00117   0.00188   0.00288   0.00476   2.64406
   R75        2.63947   0.00116   0.00191   0.00274   0.00465   2.64413
   R76        2.64030   0.00120   0.00190   0.00287   0.00476   2.64506
   R77        2.63952   0.00117   0.00165   0.00297   0.00461   2.64413
   R78        2.64029   0.00121   0.00172   0.00295   0.00466   2.64495
   R79        2.64048   0.00125   0.00187   0.00299   0.00486   2.64534
   R80        2.68157  -0.00044   0.00432  -0.00225   0.00207   2.68364
   R81        2.64130  -0.00067   0.00209  -0.00189   0.00020   2.64149
   R82        2.73629   0.00057   0.00296   0.00010   0.00307   2.73936
   R83        2.64640  -0.00042  -0.00017  -0.00106  -0.00123   2.64517
   R84        2.68183  -0.00044   0.00442  -0.00223   0.00219   2.68403
   R85        2.64626  -0.00043  -0.00024  -0.00104  -0.00129   2.64497
   R86        2.64135  -0.00067   0.00203  -0.00184   0.00020   2.64154
   R87        2.68186  -0.00046   0.00428  -0.00221   0.00207   2.68394
   R88        2.64126  -0.00068   0.00200  -0.00183   0.00018   2.64144
   R89        2.73632   0.00058   0.00299   0.00013   0.00312   2.73945
   R90        2.64637  -0.00043  -0.00021  -0.00104  -0.00126   2.64512
   R91        2.68184  -0.00045   0.00443  -0.00230   0.00213   2.68396
   R92        2.64639  -0.00043  -0.00022  -0.00106  -0.00128   2.64512
   R93        2.64130  -0.00069   0.00213  -0.00197   0.00016   2.64147
   R94        2.68156  -0.00046   0.00445  -0.00230   0.00215   2.68371
   R95        2.64119  -0.00066   0.00214  -0.00185   0.00029   2.64149
   R96        2.73645   0.00058   0.00294   0.00013   0.00307   2.73953
   R97        2.64627  -0.00043  -0.00024  -0.00106  -0.00129   2.64498
   R98        2.68153  -0.00048   0.00431  -0.00231   0.00201   2.68354
   R99        2.64630  -0.00042  -0.00017  -0.00105  -0.00123   2.64507
   R100       2.64115  -0.00067   0.00211  -0.00187   0.00024   2.64139
   R101       2.63019  -0.00008   0.00109  -0.00057   0.00052   2.63072
   R102       2.05256   0.00005   0.00015   0.00011   0.00027   2.05282
   R103       2.65752  -0.00063   0.00150  -0.00218  -0.00068   2.65683
   R104       2.05140   0.00001  -0.00022   0.00013  -0.00010   2.05130
   R105       2.63209   0.00007   0.00099   0.00014   0.00113   2.63323
   R106       2.05204   0.00008   0.00049   0.00017   0.00067   2.05271
   R107       2.04997   0.00001  -0.00004  -0.00063  -0.00067   2.04930
   R108       2.63198   0.00006   0.00099   0.00011   0.00111   2.63309
   R109       2.04987   0.00002  -0.00010  -0.00053  -0.00062   2.04924
   R110       2.65763  -0.00062   0.00151  -0.00216  -0.00065   2.65697
   R111       2.05194   0.00007   0.00053   0.00014   0.00066   2.05260
   R112       2.63001  -0.00009   0.00103  -0.00055   0.00048   2.63049
   R113       2.05140   0.00001  -0.00021   0.00011  -0.00010   2.05130
   R114       2.05255   0.00005   0.00013   0.00014   0.00027   2.05282
   R115       2.63013  -0.00009   0.00106  -0.00055   0.00051   2.63064
   R116       2.05255   0.00004   0.00015   0.00011   0.00026   2.05281
   R117       2.65764  -0.00063   0.00147  -0.00215  -0.00067   2.65697
   R118       2.05140   0.00001  -0.00021   0.00010  -0.00011   2.05129
   R119       2.63204   0.00006   0.00098   0.00010   0.00108   2.63312
   R120       2.05203   0.00008   0.00052   0.00015   0.00067   2.05269
   R121       2.04997   0.00002  -0.00012  -0.00048  -0.00060   2.04937
   R122       2.63205   0.00006   0.00100   0.00011   0.00111   2.63317
   R123       2.05002   0.00001  -0.00003  -0.00062  -0.00065   2.04936
   R124       2.65762  -0.00063   0.00151  -0.00218  -0.00067   2.65695
   R125       2.05202   0.00008   0.00052   0.00015   0.00067   2.05269
   R126       2.63015  -0.00009   0.00111  -0.00058   0.00053   2.63067
   R127       2.05138   0.00001  -0.00021   0.00010  -0.00011   2.05127
   R128       2.05255   0.00004   0.00014   0.00011   0.00025   2.05281
   R129       2.63013  -0.00010   0.00105  -0.00059   0.00046   2.63059
   R130       2.05253   0.00004   0.00015   0.00011   0.00025   2.05279
   R131       2.65750  -0.00064   0.00151  -0.00219  -0.00067   2.65683
   R132       2.05138   0.00001  -0.00021   0.00009  -0.00012   2.05126
   R133       2.63211   0.00006   0.00097   0.00011   0.00108   2.63319
   R134       2.05196   0.00007   0.00052   0.00013   0.00065   2.05261
   R135       2.04993   0.00001  -0.00010  -0.00059  -0.00068   2.04924
   R136       2.63214   0.00006   0.00097   0.00011   0.00108   2.63322
   R137       2.04997   0.00001  -0.00007  -0.00059  -0.00066   2.04931
   R138       2.65749  -0.00064   0.00148  -0.00219  -0.00071   2.65677
   R139       2.05199   0.00007   0.00053   0.00014   0.00067   2.05266
   R140       2.63019  -0.00009   0.00109  -0.00058   0.00050   2.63069
   R141       2.05140   0.00001  -0.00020   0.00009  -0.00011   2.05129
   R142       2.05253   0.00004   0.00016   0.00009   0.00025   2.05278
   R143       3.25242   0.00240  -0.10086   0.16075   0.06208   3.31450
    A1        2.06294   0.00008   0.00205  -0.00034   0.00172   2.06465
    A2        2.10897   0.00017  -0.00211   0.00050  -0.00161   2.10736
    A3        2.11127  -0.00025   0.00006  -0.00016  -0.00011   2.11117
    A4        2.13834  -0.00009  -0.00165   0.00065  -0.00105   2.13729
    A5        2.05448   0.00020  -0.00289   0.00178  -0.00112   2.05336
    A6        2.08969  -0.00010   0.00484  -0.00235   0.00248   2.09217
    A7        2.05972  -0.00009   0.00018  -0.00101  -0.00075   2.05896
    A8        2.13442   0.00005  -0.00076   0.00143   0.00084   2.13527
    A9        2.08904   0.00003   0.00058  -0.00042  -0.00009   2.08895
   A10        2.08961   0.00031  -0.00005   0.00142   0.00135   2.09095
   A11        2.09981   0.00024  -0.00019   0.00010  -0.00028   2.09954
   A12        2.09336  -0.00054   0.00046  -0.00128  -0.00075   2.09261
   A13        2.11121   0.00005   0.00027  -0.00006   0.00019   2.11140
   A14        2.06659  -0.00041  -0.00124  -0.00259  -0.00383   2.06276
   A15        2.10539   0.00036   0.00097   0.00264   0.00362   2.10901
   A16        2.10420  -0.00025  -0.00079  -0.00051  -0.00129   2.10291
   A17        2.09295  -0.00023  -0.00371  -0.00076  -0.00448   2.08847
   A18        2.08577   0.00048   0.00462   0.00124   0.00584   2.09161
   A19        2.10464   0.00071   0.00016   0.00200   0.00194   2.10658
   A20        2.11823  -0.00157  -0.00025  -0.00505  -0.00506   2.11317
   A21        2.06003   0.00087   0.00014   0.00316   0.00325   2.06328
   A22        2.08363  -0.00065   0.00214  -0.00141   0.00054   2.08417
   A23        2.07826  -0.00100  -0.00378  -0.00141  -0.00507   2.07319
   A24        2.12128   0.00165   0.00171   0.00282   0.00455   2.12583
   A25        2.10012  -0.00158  -0.00243  -0.00165  -0.00514   2.09498
   A26        2.13237   0.00315  -0.00521   0.00792   0.00162   2.13399
   A27        2.05056  -0.00156   0.00817  -0.00618   0.00362   2.05418
   A28        2.08605   0.00132   0.00233   0.00335   0.00565   2.09170
   A29        2.06788  -0.00273   0.00018  -0.00878  -0.00861   2.05928
   A30        2.12908   0.00141  -0.00225   0.00555   0.00312   2.13220
   A31        2.14508  -0.00032   0.00042  -0.00148  -0.00133   2.14375
   A32        2.08487  -0.00004   0.00342  -0.00183   0.00167   2.08655
   A33        2.05246   0.00035  -0.00336   0.00318  -0.00009   2.05238
   A34        2.05866  -0.00015   0.00113  -0.00101   0.00006   2.05873
   A35        2.10920   0.00020   0.00077  -0.00007   0.00072   2.10993
   A36        2.11529  -0.00004  -0.00189   0.00110  -0.00076   2.11453
   A37        2.10939   0.00046  -0.00477   0.00278  -0.00181   2.10758
   A38        2.09991  -0.00047  -0.00438  -0.00136  -0.00584   2.09407
   A39        2.07353   0.00001   0.00914  -0.00129   0.00775   2.08128
   A40        2.11449   0.00016   0.00743  -0.00150   0.00529   2.11978
   A41        2.10414   0.00002   0.00111   0.00050   0.00061   2.10475
   A42        2.06456  -0.00017  -0.00647   0.00101  -0.00645   2.05810
   A43        2.12502  -0.00055  -0.00162   0.00263  -0.00423   2.12079
   A44        2.16019   0.00055   0.02180   0.00319   0.02252   2.18271
   A45        2.23228   0.00485   0.04895   0.00097   0.04434   2.27662
   A46        1.97169   0.00017   0.00064   0.00531   0.00249   1.97418
   A47        1.87365  -0.00379   0.00344  -0.00431  -0.00750   1.86615
   A48        2.06905   0.00090  -0.00054  -0.00027   0.00103   2.07007
   A49        2.12482  -0.00089   0.00559  -0.00113   0.00307   2.12789
   A50        2.08930  -0.00001  -0.00507   0.00140  -0.00417   2.08513
   A51        2.10858  -0.00005   0.00159  -0.00000   0.00177   2.11035
   A52        2.08525   0.00016   0.00129   0.00013   0.00157   2.08682
   A53        2.08934  -0.00011  -0.00286  -0.00009  -0.00333   2.08601
   A54        2.08326  -0.00014  -0.00336  -0.00121  -0.00568   2.07758
   A55        2.07644  -0.00002   0.00295  -0.00063   0.00245   2.07889
   A56        2.07896  -0.00016   0.00096  -0.00048  -0.00003   2.07893
   A57        2.12745   0.00018  -0.00283   0.00124  -0.00210   2.12535
   A58        2.14361  -0.00012  -0.00044  -0.00102  -0.00140   2.14222
   A59        2.05464   0.00079   0.00480   0.00534   0.01005   2.06469
   A60        2.08459  -0.00067  -0.00456  -0.00427  -0.00891   2.07568
   A61        2.05509   0.00046   0.00176   0.00224   0.00389   2.05898
   A62        2.10786  -0.00081  -0.00076  -0.00322  -0.00393   2.10392
   A63        2.12023   0.00035  -0.00099   0.00098   0.00004   2.12027
   A64        2.11662  -0.00047  -0.00044  -0.00210  -0.00252   2.11409
   A65        2.03215   0.00059   0.00502   0.00313   0.00814   2.04029
   A66        2.13415  -0.00012  -0.00461  -0.00109  -0.00572   2.12843
   A67        2.11056  -0.00016   0.00103   0.00055   0.00157   2.11214
   A68        2.11393   0.00011   0.00079  -0.00009   0.00069   2.11463
   A69        2.05869   0.00005  -0.00181  -0.00046  -0.00227   2.05642
   A70        2.11142  -0.00041   0.00014  -0.00041  -0.00028   2.11114
   A71        2.11236   0.00035   0.00189   0.00074   0.00262   2.11498
   A72        2.05940   0.00006  -0.00203  -0.00032  -0.00234   2.05706
   A73        2.12038  -0.00085   0.00034  -0.00341  -0.00307   2.11731
   A74        2.11376   0.00019   0.00131  -0.00009   0.00122   2.11498
   A75        2.04905   0.00066  -0.00166   0.00350   0.00185   2.05090
   A76        2.11394  -0.00009   0.00232  -0.00036   0.00197   2.11590
   A77        2.09066  -0.00020  -0.00366  -0.00043  -0.00412   2.08654
   A78        2.07774   0.00029   0.00166   0.00074   0.00238   2.08012
   A79        2.09849  -0.00019  -0.00061  -0.00000  -0.00065   2.09784
   A80        2.09978   0.00037  -0.00340   0.00257  -0.00090   2.09889
   A81        2.08489  -0.00017   0.00401  -0.00257   0.00138   2.08627
   A82        2.08198   0.00052  -0.00126   0.00091  -0.00032   2.08166
   A83        2.10113  -0.00023   0.00063  -0.00042   0.00019   2.10132
   A84        2.10008  -0.00029   0.00063  -0.00048   0.00013   2.10020
   A85        2.09803  -0.00029   0.00070  -0.00089  -0.00021   2.09782
   A86        2.08444  -0.00016   0.00395  -0.00249   0.00139   2.08583
   A87        2.10066   0.00045  -0.00470   0.00338  -0.00138   2.09928
   A88        2.11441  -0.00000   0.00101   0.00058   0.00158   2.11599
   A89        2.08938  -0.00015  -0.00222  -0.00071  -0.00295   2.08643
   A90        2.07827   0.00015   0.00154   0.00017   0.00168   2.07995
   A91        2.11455  -0.00005   0.00168   0.00009   0.00177   2.11632
   A92        2.08969  -0.00018  -0.00340  -0.00030  -0.00371   2.08597
   A93        2.07805   0.00023   0.00197   0.00023   0.00218   2.08023
   A94        2.09839  -0.00023  -0.00020  -0.00031  -0.00054   2.09785
   A95        2.10045   0.00039  -0.00394   0.00292  -0.00109   2.09936
   A96        2.08432  -0.00017   0.00413  -0.00260   0.00147   2.08578
   A97        2.08171   0.00051  -0.00112   0.00083  -0.00026   2.08145
   A98        2.10076  -0.00023   0.00089  -0.00059   0.00029   2.10105
   A99        2.10071  -0.00028   0.00023  -0.00025  -0.00003   2.10068
   A100       2.09813  -0.00022   0.00026  -0.00044  -0.00021   2.09791
   A101       2.08431  -0.00018   0.00404  -0.00257   0.00141   2.08572
   A102       2.10069   0.00040  -0.00434   0.00302  -0.00139   2.09930
   A103       2.11481  -0.00006   0.00132   0.00022   0.00153   2.11635
   A104       2.08884  -0.00012  -0.00288  -0.00041  -0.00331   2.08553
   A105       2.07854   0.00018   0.00189   0.00016   0.00203   2.08057
   A106       2.11947  -0.00031   0.00161  -0.00201  -0.00040   2.11907
   A107       2.10145  -0.00046  -0.00389  -0.00343  -0.00734   2.09412
   A108       2.06124   0.00076   0.00209   0.00540   0.00747   2.06871
   A109       2.10025  -0.00032  -0.00007  -0.00083  -0.00095   2.09930
   A110       2.09690   0.00047  -0.00427   0.00357  -0.00079   2.09612
   A111       2.08601  -0.00016   0.00436  -0.00274   0.00153   2.08754
   A112       2.07738   0.00066  -0.00142   0.00229   0.00091   2.07829
   A113       2.10367  -0.00033   0.00068  -0.00119  -0.00053   2.10314
   A114       2.10213  -0.00033   0.00073  -0.00109  -0.00038   2.10175
   A115       2.09989  -0.00033   0.00046  -0.00097  -0.00056   2.09933
   A116       2.08515  -0.00016   0.00445  -0.00276   0.00159   2.08674
   A117       2.09809   0.00049  -0.00493   0.00374  -0.00130   2.09680
   A118       2.12024  -0.00036   0.00122  -0.00204  -0.00082   2.11942
   A119       2.09637  -0.00030  -0.00286  -0.00294  -0.00582   2.09054
   A120       2.06563   0.00066   0.00142   0.00497   0.00637   2.07199
   A121       2.19397   0.00012  -0.00104   0.00130   0.00026   2.19422
   A122       2.19387   0.00019  -0.00029   0.00079   0.00050   2.19437
   A123       1.89534  -0.00031   0.00133  -0.00209  -0.00076   1.89459
   A124       2.19388   0.00020  -0.00056   0.00105   0.00049   2.19437
   A125       2.19397   0.00015  -0.00090   0.00126   0.00035   2.19432
   A126       1.89533  -0.00035   0.00146  -0.00231  -0.00085   1.89448
   A127       2.19358   0.00017  -0.00054   0.00104   0.00051   2.19409
   A128       2.19425   0.00016  -0.00079   0.00106   0.00027   2.19452
   A129       1.89535  -0.00033   0.00133  -0.00211  -0.00078   1.89457
   A130       1.90044  -0.00004  -0.00069   0.00071   0.00003   1.90047
   A131       2.25806  -0.00034   0.00438  -0.00189   0.00248   2.26054
   A132       2.12464   0.00037  -0.00369   0.00112  -0.00259   2.12205
   A133       1.86425   0.00021  -0.00005   0.00046   0.00041   1.86466
   A134       2.08391  -0.00022   0.00333  -0.00091   0.00238   2.08629
   A135       2.33492   0.00001  -0.00316   0.00049  -0.00270   2.33222
   A136       1.86417   0.00021  -0.00009   0.00046   0.00037   1.86454
   A137       2.33507   0.00001  -0.00313   0.00045  -0.00271   2.33236
   A138       2.08384  -0.00022   0.00335  -0.00087   0.00244   2.08627
   A139       1.90059  -0.00003  -0.00063   0.00067   0.00004   1.90063
   A140       2.25827  -0.00035   0.00434  -0.00179   0.00254   2.26082
   A141       2.12427   0.00037  -0.00371   0.00105  -0.00267   2.12160
   A142       1.90072  -0.00006  -0.00055   0.00051  -0.00004   1.90068
   A143       2.25787  -0.00034   0.00414  -0.00168   0.00246   2.26033
   A144       2.12456   0.00040  -0.00360   0.00112  -0.00249   2.12207
   A145       1.86401   0.00021  -0.00009   0.00050   0.00041   1.86442
   A146       2.08370  -0.00023   0.00331  -0.00096   0.00231   2.08602
   A147       2.33538   0.00003  -0.00310   0.00050  -0.00264   2.33274
   A148       1.86404   0.00022  -0.00006   0.00048   0.00042   1.86446
   A149       2.33533   0.00002  -0.00322   0.00059  -0.00267   2.33266
   A150       2.08371  -0.00023   0.00341  -0.00103   0.00234   2.08605
   A151       1.90066  -0.00006  -0.00064   0.00060  -0.00003   1.90063
   A152       2.25782  -0.00033   0.00444  -0.00196   0.00248   2.26030
   A153       2.12466   0.00039  -0.00380   0.00130  -0.00251   2.12214
   A154       1.90039  -0.00006  -0.00057   0.00052  -0.00005   1.90034
   A155       2.25797  -0.00031   0.00440  -0.00167   0.00272   2.26070
   A156       2.12476   0.00037  -0.00383   0.00108  -0.00275   2.12200
   A157       1.86433   0.00023  -0.00010   0.00054   0.00044   1.86477
   A158       2.08373  -0.00023   0.00341  -0.00094   0.00243   2.08616
   A159       2.33501  -0.00000  -0.00318   0.00045  -0.00276   2.33225
   A160       1.86437   0.00023  -0.00010   0.00054   0.00044   1.86481
   A161       2.33492  -0.00000  -0.00316   0.00044  -0.00275   2.33217
   A162       2.08380  -0.00023   0.00338  -0.00095   0.00240   2.08620
   A163       1.90033  -0.00007  -0.00055   0.00051  -0.00005   1.90028
   A164       2.25807  -0.00031   0.00427  -0.00169   0.00257   2.26064
   A165       2.12474   0.00038  -0.00371   0.00112  -0.00261   2.12213
   A166       2.07974   0.00007  -0.00032   0.00046   0.00014   2.07988
   A167       2.10181  -0.00019  -0.00220  -0.00074  -0.00294   2.09887
   A168       2.10164   0.00012   0.00252   0.00028   0.00280   2.10444
   A169       2.10572  -0.00002  -0.00226   0.00006  -0.00222   2.10350
   A170       2.09053   0.00010   0.00141   0.00072   0.00213   2.09266
   A171       2.08694  -0.00008   0.00085  -0.00077   0.00007   2.08700
   A172       2.11872   0.00001   0.00318  -0.00048   0.00270   2.12141
   A173       2.08414   0.00008   0.00157  -0.00003   0.00154   2.08568
   A174       2.08032  -0.00009  -0.00474   0.00052  -0.00422   2.07609
   A175       2.05408  -0.00021  -0.00020  -0.00020  -0.00043   2.05365
   A176       2.11650  -0.00008   0.00448  -0.00162   0.00283   2.11933
   A177       2.11260   0.00029  -0.00423   0.00183  -0.00243   2.11017
   A178       2.05360  -0.00021  -0.00021  -0.00022  -0.00047   2.05313
   A179       2.11740  -0.00007   0.00458  -0.00164   0.00291   2.12031
   A180       2.11218   0.00028  -0.00430   0.00186  -0.00247   2.10971
   A181       2.11897   0.00001   0.00318  -0.00050   0.00268   2.12165
   A182       2.07985  -0.00009  -0.00471   0.00052  -0.00419   2.07567
   A183       2.08436   0.00008   0.00152  -0.00001   0.00151   2.08587
   A184       2.10583  -0.00002  -0.00227   0.00007  -0.00222   2.10361
   A185       2.08684  -0.00008   0.00083  -0.00077   0.00005   2.08689
   A186       2.09051   0.00010   0.00144   0.00071   0.00214   2.09265
   A187       2.07942   0.00007  -0.00029   0.00045   0.00015   2.07958
   A188       2.10196  -0.00019  -0.00222  -0.00076  -0.00298   2.09898
   A189       2.10180   0.00012   0.00251   0.00031   0.00283   2.10463
   A190       2.07958   0.00007  -0.00030   0.00045   0.00014   2.07972
   A191       2.10197  -0.00019  -0.00218  -0.00079  -0.00296   2.09901
   A192       2.10164   0.00012   0.00249   0.00034   0.00283   2.10446
   A193       2.10584  -0.00001  -0.00230   0.00013  -0.00219   2.10366
   A194       2.09044   0.00010   0.00141   0.00071   0.00211   2.09255
   A195       2.08690  -0.00008   0.00088  -0.00083   0.00005   2.08695
   A196       2.11884   0.00000   0.00323  -0.00053   0.00270   2.12154
   A197       2.08415   0.00008   0.00155   0.00002   0.00156   2.08572
   A198       2.08018  -0.00009  -0.00478   0.00053  -0.00425   2.07593
   A199       2.05372  -0.00021  -0.00019  -0.00030  -0.00051   2.05321
   A200       2.11667  -0.00007   0.00460  -0.00163   0.00293   2.11960
   A201       2.11279   0.00028  -0.00436   0.00193  -0.00245   2.11034
   A202       2.05388  -0.00022  -0.00026  -0.00020  -0.00050   2.05338
   A203       2.11651  -0.00007   0.00448  -0.00160   0.00284   2.11935
   A204       2.11279   0.00029  -0.00415   0.00180  -0.00238   2.11041
   A205       2.11874   0.00000   0.00318  -0.00052   0.00266   2.12140
   A206       2.08032  -0.00008  -0.00478   0.00059  -0.00419   2.07614
   A207       2.08411   0.00008   0.00159  -0.00006   0.00154   2.08564
   A208       2.10583  -0.00001  -0.00227   0.00010  -0.00218   2.10365
   A209       2.08686  -0.00009   0.00086  -0.00081   0.00004   2.08690
   A210       2.09049   0.00010   0.00141   0.00071   0.00212   2.09260
   A211       2.07964   0.00007  -0.00032   0.00049   0.00016   2.07980
   A212       2.10195  -0.00019  -0.00223  -0.00077  -0.00300   2.09895
   A213       2.10159   0.00012   0.00255   0.00028   0.00284   2.10443
   A214       2.07949   0.00007  -0.00033   0.00048   0.00014   2.07963
   A215       2.10195  -0.00019  -0.00221  -0.00076  -0.00297   2.09898
   A216       2.10174   0.00012   0.00254   0.00028   0.00282   2.10457
   A217       2.10585  -0.00002  -0.00228   0.00010  -0.00220   2.10365
   A218       2.09045   0.00010   0.00144   0.00072   0.00215   2.09260
   A219       2.08689  -0.00009   0.00085  -0.00082   0.00002   2.08691
   A220       2.11885  -0.00000   0.00322  -0.00056   0.00266   2.12152
   A221       2.08433   0.00008   0.00154  -0.00002   0.00152   2.08585
   A222       2.07999  -0.00008  -0.00476   0.00059  -0.00418   2.07581
   A223       2.05363  -0.00021  -0.00023  -0.00018  -0.00045   2.05318
   A224       2.11729  -0.00007   0.00456  -0.00160   0.00293   2.12021
   A225       2.11226   0.00027  -0.00426   0.00179  -0.00251   2.10975
   A226       2.05366  -0.00020  -0.00016  -0.00016  -0.00035   2.05331
   A227       2.11713  -0.00007   0.00445  -0.00152   0.00290   2.12004
   A228       2.11239   0.00027  -0.00424   0.00168  -0.00259   2.10980
   A229       2.11880   0.00000   0.00323  -0.00054   0.00268   2.12148
   A230       2.08008  -0.00008  -0.00476   0.00054  -0.00422   2.07587
   A231       2.08429   0.00008   0.00153   0.00001   0.00155   2.08583
   A232       2.10586  -0.00002  -0.00232   0.00006  -0.00227   2.10359
   A233       2.08690  -0.00008   0.00090  -0.00078   0.00012   2.08702
   A234       2.09041   0.00010   0.00141   0.00073   0.00213   2.09255
   A235       2.07954   0.00008  -0.00029   0.00052   0.00022   2.07977
   A236       2.10194  -0.00020  -0.00222  -0.00081  -0.00303   2.09891
   A237       2.10171   0.00012   0.00250   0.00029   0.00280   2.10451
    D1       -0.00647  -0.00001  -0.00011   0.00080   0.00064  -0.00582
    D2        3.09561   0.00007   0.00797   0.00331   0.01114   3.10675
    D3        3.13838  -0.00001  -0.00041  -0.00027  -0.00068   3.13770
    D4       -0.04273   0.00007   0.00767   0.00224   0.00982  -0.03291
    D5       -0.01202   0.00007   0.00059   0.00299   0.00361  -0.00841
    D6        3.10476   0.00007   0.00593   0.00140   0.00734   3.11210
    D7        3.12632   0.00008   0.00089   0.00406   0.00493   3.13125
    D8       -0.04010   0.00008   0.00623   0.00246   0.00866  -0.03143
    D9        2.51450  -0.00020  -0.04774   0.00995  -0.03782   2.47667
   D10       -0.62781  -0.00021  -0.04815   0.00955  -0.03862  -0.66643
   D11       -0.62375  -0.00020  -0.04806   0.00885  -0.03918  -0.66293
   D12        2.51713  -0.00022  -0.04846   0.00846  -0.03998   2.47715
   D13        0.02563  -0.00008  -0.00052  -0.00510  -0.00564   0.01999
   D14       -3.11450  -0.00021  -0.00365  -0.00657  -0.01048  -3.12498
   D15       -3.07567  -0.00017  -0.00855  -0.00775  -0.01629  -3.09196
   D16        0.06738  -0.00030  -0.01168  -0.00922  -0.02113   0.04626
   D17       -0.02663   0.00010   0.00064   0.00567   0.00642  -0.02020
   D18        3.08434   0.00031   0.00786   0.01492   0.02279   3.10712
   D19        3.11355   0.00023   0.00368   0.00710   0.01113   3.12467
   D20       -0.05868   0.00044   0.01090   0.01635   0.02749  -0.03119
   D21       -3.11501  -0.00012  -0.00507  -0.00396  -0.00894  -3.12395
   D22        0.05292  -0.00030  -0.00703  -0.00881  -0.01585   0.03707
   D23        0.02807  -0.00026  -0.00825  -0.00545  -0.01386   0.01421
   D24       -3.08719  -0.00043  -0.01021  -0.01030  -0.02076  -3.10796
   D25        0.00923  -0.00004  -0.00020  -0.00209  -0.00242   0.00681
   D26       -3.12836   0.00001   0.00058   0.00014   0.00064  -3.12773
   D27       -3.10184  -0.00027  -0.00738  -0.01133  -0.01872  -3.12057
   D28        0.04374  -0.00021  -0.00660  -0.00910  -0.01566   0.02808
   D29        0.02185   0.00001   0.00740  -0.00596   0.00171   0.02355
   D30       -3.10044  -0.00026  -0.00387  -0.01246  -0.01539  -3.11583
   D31        3.13274   0.00023   0.01463   0.00336   0.01812  -3.13232
   D32        0.01046  -0.00003   0.00335  -0.00314   0.00102   0.01148
   D33        0.01060  -0.00004  -0.00046  -0.00234  -0.00274   0.00786
   D34       -3.10627  -0.00003  -0.00564  -0.00072  -0.00633  -3.11260
   D35       -3.13508  -0.00010  -0.00126  -0.00463  -0.00589  -3.14097
   D36        0.03124  -0.00009  -0.00643  -0.00301  -0.00949   0.02175
   D37        0.03969  -0.00043  -0.01294  -0.01587  -0.02906   0.01063
   D38       -3.09564  -0.00066  -0.02002  -0.01411  -0.03419  -3.12983
   D39       -3.12738  -0.00029  -0.01105  -0.01130  -0.02247   3.13334
   D40        0.02048  -0.00053  -0.01812  -0.00954  -0.02760  -0.00712
   D41        3.12091   0.00020   0.01554  -0.00224   0.01343   3.13434
   D42        0.02262   0.00017   0.00409   0.00120   0.00536   0.02798
   D43        0.00500   0.00003   0.01362  -0.00696   0.00671   0.01170
   D44       -3.09329  -0.00001   0.00217  -0.00352  -0.00137  -3.09465
   D45       -0.07678   0.00099   0.03169   0.02644   0.05851  -0.01827
   D46        3.04649   0.00109   0.05314   0.03293   0.08594   3.13243
   D47        3.05839   0.00122   0.03890   0.02462   0.06377   3.12215
   D48       -0.10153   0.00131   0.06035   0.03111   0.09120  -0.01034
   D49       -0.02733   0.00066   0.00585   0.01957   0.02535  -0.00198
   D50        3.11449   0.00041   0.07229  -0.01085   0.06153  -3.10717
   D51        3.12068   0.00044  -0.00139   0.02139   0.02011   3.14078
   D52       -0.02069   0.00018   0.06505  -0.00904   0.05629   0.03559
   D53        0.04663  -0.00073  -0.02912  -0.01557  -0.04513   0.00151
   D54       -3.11497  -0.00050  -0.01738  -0.00901  -0.02742   3.14080
   D55       -3.07747  -0.00087  -0.04928  -0.02190  -0.07130   3.13441
   D56        0.04411  -0.00064  -0.03755  -0.01533  -0.05360  -0.00949
   D57        3.14100   0.00071   0.03376   0.00294   0.03721  -3.10498
   D58        0.26106  -0.00015  -0.05125  -0.05228  -0.10403   0.15703
   D59        0.38563  -0.00027  -0.11108   0.00631  -0.10827   0.27736
   D60       -0.01843   0.00080   0.05440   0.00929   0.06394   0.04552
   D61       -2.89836  -0.00005  -0.03061  -0.04593  -0.07729  -2.97566
   D62       -2.77379  -0.00018  -0.09044   0.01266  -0.08153  -2.85533
   D63        3.08033   0.00042   0.01608   0.01704   0.03252   3.11285
   D64       -0.04145   0.00015   0.00442   0.01041   0.01498  -0.02647
   D65       -0.02376   0.00034   0.00335   0.01358   0.01695  -0.00681
   D66        3.12585   0.00025   0.00163   0.01127   0.01292   3.13877
   D67        3.07528   0.00037   0.01480   0.01009   0.02492   3.10020
   D68       -0.05829   0.00027   0.01308   0.00778   0.02088  -0.03741
   D69        0.01698  -0.00021  -0.01629  -0.00344  -0.01972  -0.00274
   D70        3.12963  -0.00013  -0.01671   0.00168  -0.01499   3.11463
   D71       -3.13266  -0.00011  -0.01455  -0.00112  -0.01567   3.13486
   D72       -0.02002  -0.00004  -0.01497   0.00399  -0.01094  -0.03095
   D73        2.52900  -0.00013  -0.04518   0.01109  -0.03409   2.49491
   D74       -0.61656  -0.00011  -0.04508   0.01226  -0.03283  -0.64939
   D75       -0.60432  -0.00022  -0.04697   0.00871  -0.03826  -0.64258
   D76        2.53331  -0.00021  -0.04688   0.00988  -0.03700   2.49631
   D77        0.00829  -0.00027   0.01183  -0.01301  -0.00122   0.00706
   D78       -3.13352  -0.00002  -0.05344   0.01674  -0.03647   3.11320
   D79       -3.10479  -0.00034   0.01245  -0.01805  -0.00570  -3.11049
   D80        0.03659  -0.00009  -0.05282   0.01170  -0.04094  -0.00436
   D81       -0.00710  -0.00046  -0.03898   0.00080  -0.03768  -0.04478
   D82        3.12771  -0.00044  -0.04771   0.00085  -0.04592   3.08179
   D83        2.89876   0.00037   0.04172   0.05030   0.09094   2.98970
   D84       -0.24961   0.00039   0.03299   0.05035   0.08270  -0.16692
   D85        2.81781   0.00195   0.09323  -0.00123   0.08817   2.90598
   D86       -0.33057   0.00197   0.08450  -0.00118   0.07993  -0.25063
   D87        0.01056  -0.00002   0.00340  -0.00601  -0.00323   0.00733
   D88       -3.13766   0.00009   0.00654  -0.00012   0.00648  -3.13117
   D89       -3.12440  -0.00003   0.01198  -0.00605   0.00478  -3.11962
   D90        0.01057   0.00008   0.01511  -0.00016   0.01449   0.02506
   D91       -3.14054  -0.00005  -0.00367   0.00185  -0.00185   3.14080
   D92        0.02857  -0.00026  -0.03155  -0.00315  -0.03498  -0.00641
   D93       -0.00580  -0.00003  -0.01251   0.00190  -0.01014  -0.01594
   D94       -3.11988  -0.00024  -0.04039  -0.00311  -0.04327   3.12004
   D95        0.01401   0.00014   0.01291   0.00011   0.01332   0.02733
   D96       -3.12094   0.00003   0.00975  -0.00579   0.00359  -3.11735
   D97       -0.01242  -0.00001  -0.00566   0.00068  -0.00489  -0.01731
   D98        3.10506  -0.00009  -0.00691  -0.00237  -0.00938   3.09568
   D99        3.12262   0.00010  -0.00254   0.00651   0.00471   3.12733
   D100      -0.04308   0.00002  -0.00379   0.00345   0.00021  -0.04287
   D101       0.00266  -0.00008   0.00055  -0.00422  -0.00379  -0.00113
   D102       3.11591  -0.00011  -0.01040  -0.00239  -0.01297   3.10294
   D103       3.11594   0.00013   0.02938   0.00090   0.03029  -3.13695
   D104      -0.05399   0.00010   0.01843   0.00273   0.02111  -0.03288
   D105      -0.00424   0.00014   0.00872   0.00465   0.01327   0.00903
   D106       3.13543   0.00016   0.00350   0.00675   0.01029  -3.13747
   D107      -3.11703   0.00015   0.01976   0.00264   0.02221  -3.09482
   D108       0.02264   0.00016   0.01455   0.00473   0.01923   0.04187
   D109       0.00910  -0.00009  -0.00596  -0.00277  -0.00861   0.00049
   D110      -3.10696  -0.00002  -0.00477   0.00041  -0.00408  -3.11104
   D111      -3.13056  -0.00011  -0.00071  -0.00488  -0.00559  -3.13615
   D112       0.03657  -0.00003   0.00049  -0.00170  -0.00106   0.03550
   D113       0.39594   0.00145   0.08613   0.04625   0.13230   0.52824
   D114      -2.74714   0.00144   0.08485   0.04580   0.13057  -2.61657
   D115      -2.74764   0.00147   0.08071   0.04843   0.12922  -2.61843
   D116       0.39246   0.00146   0.07943   0.04798   0.12748   0.51994
   D117      -3.13310   0.00002  -0.00371   0.00212  -0.00159  -3.13469
   D118      -0.03732   0.00006   0.00255   0.00246   0.00500  -0.03232
   D119       0.00919   0.00004  -0.00332   0.00250  -0.00082   0.00837
   D120       3.10497   0.00007   0.00294   0.00284   0.00577   3.11074
   D121      -3.13885   0.00005  -0.00303   0.00329   0.00026  -3.13859
   D122      -0.04554   0.00007   0.00428   0.00269   0.00696  -0.03858
   D123       0.00205   0.00003  -0.00342   0.00291  -0.00051   0.00154
   D124       3.09536   0.00005   0.00388   0.00231   0.00619   3.10154
   D125      -3.13555   0.00006  -0.00322   0.00359   0.00037  -3.13518
   D126      -0.03858   0.00007   0.00466   0.00230   0.00694  -0.03163
   D127       0.00989   0.00004  -0.00331   0.00245  -0.00086   0.00903
   D128       3.10686   0.00006   0.00456   0.00116   0.00571   3.11258
   D129      -3.13405   0.00000  -0.00334   0.00119  -0.00215  -3.13620
   D130      -0.04398   0.00005   0.00362   0.00201   0.00562  -0.03836
   D131       0.00369   0.00002  -0.00325   0.00233  -0.00092   0.00277
   D132       3.09376   0.00007   0.00371   0.00314   0.00685   3.10062
   D133       3.13094  -0.00005   0.00151  -0.00331  -0.00180   3.12914
   D134       0.03886  -0.00001   0.00631  -0.00225   0.00402   0.04289
   D135      -0.00921  -0.00005   0.00274  -0.00287  -0.00013  -0.00934
   D136      -3.10129   0.00000   0.00755  -0.00181   0.00570  -3.09560
   D137       3.13994   0.00000   0.00549  -0.00119   0.00429  -3.13895
   D138       0.04617   0.00005   0.01138  -0.00092   0.01042   0.05659
   D139      -0.00309  -0.00001   0.00426  -0.00163   0.00262  -0.00047
   D140      -3.09685   0.00004   0.01015  -0.00136   0.00875  -3.08811
   D141      -0.01476  -0.00006   0.00701  -0.00497   0.00204  -0.01272
   D142       3.11960  -0.00015  -0.00618  -0.00521  -0.01134   3.10826
   D143      -3.11206  -0.00007  -0.00065  -0.00366  -0.00434  -3.11641
   D144       0.02230  -0.00016  -0.01384  -0.00390  -0.01773   0.00457
   D145       0.00588   0.00003  -0.00410   0.00267  -0.00142   0.00446
   D146      -3.13281   0.00002  -0.00437   0.00243  -0.00193  -3.13474
   D147      -3.12854   0.00012   0.00895   0.00289   0.01187  -3.11667
   D148       0.01595   0.00011   0.00868   0.00265   0.01137   0.02732
   D149       0.00754   0.00003  -0.00242   0.00205  -0.00036   0.00718
   D150      -3.12262   0.00011   0.01053   0.00188   0.01245  -3.11017
   D151      -3.13695   0.00004  -0.00215   0.00228   0.00014  -3.13681
   D152       0.01607   0.00012   0.01079   0.00212   0.01295   0.02902
   D153       1.14754  -0.00103  -0.01138  -0.03943  -0.05081   1.09673
   D154      -2.00059  -0.00103  -0.01210  -0.03894  -0.05104  -2.05163
   D155      -1.99112  -0.00104  -0.01164  -0.03967  -0.05131  -2.04243
   D156       1.14393  -0.00104  -0.01236  -0.03918  -0.05155   1.09239
   D157      -0.01241  -0.00005   0.00613  -0.00459   0.00154  -0.01087
   D158      -3.10280  -0.00009  -0.00066  -0.00537  -0.00607  -3.10887
   D159       3.11764  -0.00014  -0.00695  -0.00446  -0.01135   3.10629
   D160       0.02725  -0.00018  -0.01374  -0.00524  -0.01896   0.00829
   D161      -0.01256  -0.00007   0.00665  -0.00537   0.00128  -0.01129
   D162       3.12028  -0.00015  -0.00702  -0.00450  -0.01147   3.10882
   D163      -3.10864  -0.00010   0.00059  -0.00569  -0.00514  -3.11378
   D164       0.02421  -0.00017  -0.01308  -0.00482  -0.01788   0.00633
   D165       0.00453   0.00004  -0.00319   0.00279  -0.00040   0.00413
   D166      -3.13519   0.00004  -0.00355   0.00298  -0.00057  -3.13576
   D167      -3.12840   0.00011   0.01032   0.00190   0.01226  -3.11614
   D168       0.01507   0.00011   0.00996   0.00209   0.01209   0.02715
   D169       0.00657   0.00003  -0.00349   0.00255  -0.00093   0.00564
   D170      -3.12401   0.00011   0.00969   0.00240   0.01213  -3.11188
   D171      -3.13690   0.00003  -0.00313   0.00236  -0.00076  -3.13766
   D172       0.01571   0.00012   0.01005   0.00221   0.01230   0.02801
   D173      -1.97229  -0.00098  -0.00854  -0.03836  -0.04689  -2.01919
   D174       1.16885  -0.00098  -0.00838  -0.03837  -0.04675   1.12210
   D175       1.17119  -0.00099  -0.00890  -0.03817  -0.04706   1.12413
   D176      -1.97085  -0.00098  -0.00874  -0.03818  -0.04692  -2.01777
   D177      -0.00992  -0.00006   0.00686  -0.00546   0.00140  -0.00852
   D178      -3.10350  -0.00007  -0.00026  -0.00484  -0.00514  -3.10864
   D179       3.12056  -0.00015  -0.00647  -0.00534  -0.01175   3.10881
   D180       0.02697  -0.00016  -0.01358  -0.00473  -0.01829   0.00869
   D181       0.01422   0.00005  -0.00691   0.00469  -0.00220   0.01201
   D182      -3.11959   0.00015   0.00900   0.00431   0.01327  -3.10631
   D183       3.10740  -0.00002  -0.01176   0.00342  -0.00835   3.09905
   D184      -0.02640   0.00007   0.00416   0.00304   0.00712  -0.01928
   D185      -0.00667  -0.00002   0.00403  -0.00198   0.00204  -0.00463
   D186       3.13275  -0.00003   0.00373  -0.00219   0.00152   3.13427
   D187       3.12718  -0.00011  -0.01174  -0.00157  -0.01337   3.11381
   D188      -0.01658  -0.00012  -0.01204  -0.00179  -0.01389  -0.03048
   D189      -0.00545  -0.00003   0.00289  -0.00246   0.00042  -0.00503
   D190       3.12506  -0.00013  -0.01375  -0.00194  -0.01575   3.10930
   D191       3.13832  -0.00002   0.00320  -0.00225   0.00094   3.13926
   D192      -0.01436  -0.00012  -0.01344  -0.00172  -0.01523  -0.02960
   D193       2.00070   0.00113   0.01465   0.04262   0.05726   2.05797
   D194      -1.14529   0.00112   0.01414   0.04258   0.05673  -1.08856
   D195      -1.14309   0.00112   0.01433   0.04240   0.05674  -1.08636
   D196       1.99410   0.00112   0.01383   0.04237   0.05620   2.05030
   D197       0.01042   0.00004  -0.00712   0.00430  -0.00280   0.00761
   D198       3.10500  -0.00003  -0.01302   0.00384  -0.00919   3.09582
   D199      -3.12000   0.00015   0.00968   0.00382   0.01344  -3.10656
   D200      -0.02542   0.00007   0.00379   0.00335   0.00706  -0.01836
   D201       3.14114  -0.00001   0.00021  -0.00026  -0.00006   3.14108
   D202       0.00911   0.00013   0.00030   0.00629   0.00658   0.01569
   D203      -0.00007  -0.00001   0.00007  -0.00025  -0.00018  -0.00025
   D204      -3.13210   0.00012   0.00016   0.00630   0.00646  -3.12564
   D205      -3.14132  -0.00002   0.00025  -0.00081  -0.00056   3.14131
   D206       0.01000   0.00012   0.00005   0.00590   0.00595   0.01594
   D207      -0.00011  -0.00001   0.00038  -0.00082  -0.00044  -0.00055
   D208      -3.13198   0.00012   0.00019   0.00589   0.00607  -3.12591
   D209       3.13620  -0.00001   0.00022  -0.00031  -0.00009   3.13611
   D210       0.00546   0.00012  -0.00008   0.00638   0.00629   0.01175
   D211       0.00021  -0.00001   0.00084  -0.00074   0.00010   0.00031
   D212      -3.13053   0.00012   0.00055   0.00595   0.00649  -3.12405
   D213      -3.13659  -0.00002   0.00025  -0.00065  -0.00040  -3.13699
   D214       0.01634   0.00012   0.00006   0.00594   0.00600   0.02234
   D215      -0.00060  -0.00001  -0.00037  -0.00022  -0.00059  -0.00120
   D216      -3.13086   0.00012  -0.00056   0.00637   0.00581  -3.12505
   D217       3.13816   0.00001  -0.00029   0.00049   0.00021   3.13836
   D218      -0.01511  -0.00012  -0.00038  -0.00601  -0.00639  -0.02150
   D219       0.00033   0.00002   0.00014   0.00052   0.00066   0.00099
   D220       3.13025  -0.00012   0.00005  -0.00599  -0.00594   3.12432
   D221      -3.13764   0.00001  -0.00009   0.00049   0.00041  -3.13723
   D222      -0.00674  -0.00013  -0.00013  -0.00644  -0.00657  -0.01332
   D223       0.00019   0.00001  -0.00052   0.00047  -0.00005   0.00014
   D224       3.13108  -0.00013  -0.00057  -0.00646  -0.00703   3.12405
   D225       0.00025   0.00003  -0.00097   0.00137   0.00041   0.00066
   D226      -3.12767  -0.00008  -0.00729  -0.00133  -0.00866  -3.13633
   D227       3.13199  -0.00010  -0.00064  -0.00472  -0.00534   3.12665
   D228       0.00406  -0.00020  -0.00696  -0.00743  -0.01440  -0.01034
   D229       3.12932  -0.00001   0.00543  -0.00229   0.00316   3.13247
   D230      -0.01481   0.00008   0.01523  -0.00050   0.01477  -0.00004
   D231      -0.00021   0.00014   0.00508   0.00515   0.01023   0.01002
   D232       3.13885   0.00023   0.01487   0.00693   0.02184  -3.12250
   D233      -0.00061  -0.00004   0.00074  -0.00148  -0.00076  -0.00137
   D234       3.12473   0.00009   0.00875   0.00158   0.01029   3.13502
   D235       3.12449   0.00009   0.00848   0.00177   0.01021   3.13469
   D236      -0.03336   0.00022   0.01649   0.00482   0.02125  -0.01211
   D237      -0.00482   0.00011   0.00275   0.00423   0.00700   0.00218
   D238       3.13696   0.00008   0.00356   0.00245   0.00602  -3.14021
   D239      -3.12829  -0.00003  -0.00570   0.00065  -0.00504  -3.13333
   D240       0.01349  -0.00006  -0.00489  -0.00113  -0.00601   0.00747
   D241       0.00075   0.00003  -0.00023   0.00106   0.00083   0.00158
   D242       3.13204  -0.00010   0.00000  -0.00495  -0.00492   3.12712
   D243      -3.12738  -0.00008  -0.00677  -0.00149  -0.00830  -3.13568
   D244       0.00391  -0.00020  -0.00653  -0.00750  -0.01405  -0.01014
   D245      -3.12873  -0.00003  -0.00598   0.00092  -0.00505  -3.13378
   D246       0.01283  -0.00006  -0.00512  -0.00104  -0.00615   0.00668
   D247      -0.00500   0.00011   0.00277   0.00429   0.00708   0.00208
   D248       3.13657   0.00008   0.00363   0.00233   0.00597  -3.14064
   D249       3.12905  -0.00002   0.00486  -0.00216   0.00271   3.13176
   D250      -0.01360   0.00008   0.01341  -0.00022   0.01323  -0.00038
   D251       0.00007   0.00013   0.00462   0.00517   0.00980   0.00986
   D252       3.14060   0.00023   0.01317   0.00712   0.02031  -3.12227
   D253       0.00022   0.00003  -0.00049   0.00118   0.00071   0.00092
   D254      -3.12839  -0.00007  -0.00688  -0.00141  -0.00833  -3.13672
   D255       3.13311  -0.00009  -0.00052  -0.00479  -0.00527   3.12784
   D256       0.00451  -0.00020  -0.00691  -0.00738  -0.01431  -0.00980
   D257       3.13035  -0.00002   0.00495  -0.00224   0.00271   3.13307
   D258      -0.01324   0.00008   0.01432  -0.00039   0.01397   0.00073
   D259      -0.00060   0.00013   0.00502   0.00505   0.01007   0.00947
   D260       3.13900   0.00023   0.01439   0.00690   0.02132  -3.12287
   D261      -0.00027  -0.00004   0.00071  -0.00165  -0.00096  -0.00123
   D262       3.12544   0.00009   0.00870   0.00156   0.01022   3.13566
   D263       3.12563   0.00009   0.00855   0.00146   0.00997   3.13560
   D264      -0.03184   0.00021   0.01654   0.00467   0.02115  -0.01069
   D265      -0.00505   0.00011   0.00279   0.00429   0.00710   0.00205
   D266       3.13689   0.00008   0.00352   0.00240   0.00593  -3.14037
   D267      -3.12940  -0.00003  -0.00577   0.00086  -0.00490  -3.13431
   D268       0.01253  -0.00006  -0.00504  -0.00103  -0.00607   0.00646
   D269       0.00024   0.00003  -0.00067   0.00153   0.00087   0.00111
   D270       3.13299  -0.00009  -0.00044  -0.00459  -0.00499   3.12800
   D271      -3.12820  -0.00007  -0.00719  -0.00114  -0.00837  -3.13658
   D272       0.00456  -0.00020  -0.00696  -0.00726  -0.01424  -0.00968
   D273      -3.12917  -0.00003  -0.00592   0.00068  -0.00522  -3.13439
   D274       0.01269  -0.00006  -0.00508  -0.00123  -0.00630   0.00640
   D275      -0.00503   0.00011   0.00281   0.00422   0.00705   0.00203
   D276       3.13684   0.00008   0.00365   0.00231   0.00598  -3.14037
   D277       3.13009  -0.00002   0.00533  -0.00251   0.00283   3.13292
   D278      -0.01356   0.00008   0.01447  -0.00054   0.01397   0.00041
   D279      -0.00069   0.00013   0.00509   0.00495   0.01004   0.00935
   D280       3.13884   0.00023   0.01423   0.00692   0.02118  -3.12316
   D281      -0.00070  -0.00003   0.00028  -0.00127  -0.00100  -0.00170
   D282       3.12710   0.00007   0.00678   0.00137   0.00820   3.13530
   D283      -3.13169   0.00009   0.00030   0.00467   0.00493  -3.12675
   D284      -0.00388   0.00020   0.00680   0.00731   0.01413   0.01025
   D285      -3.12866   0.00001  -0.00476   0.00213  -0.00263  -3.13129
   D286       0.01359  -0.00007  -0.01377   0.00057  -0.01324   0.00035
   D287      -0.00005  -0.00013  -0.00483  -0.00511  -0.00994  -0.00999
   D288      -3.14098  -0.00022  -0.01385  -0.00667  -0.02055   3.12165
   D289       0.00080   0.00004  -0.00059   0.00153   0.00095   0.00175
   D290      -3.12478  -0.00008  -0.00832  -0.00137  -0.00965  -3.13443
   D291      -3.12415  -0.00009  -0.00856  -0.00165  -0.01017  -3.13432
   D292       0.03346  -0.00021  -0.01629  -0.00455  -0.02077   0.01268
   D293       0.00494  -0.00011  -0.00287  -0.00414  -0.00704  -0.00210
   D294      -3.13638  -0.00008  -0.00362  -0.00236  -0.00600   3.14081
   D295       3.12825   0.00004   0.00583  -0.00064   0.00517   3.13343
   D296      -0.01307   0.00006   0.00508   0.00114   0.00622  -0.00686
   D297      -0.00061  -0.00003   0.00069  -0.00124  -0.00057  -0.00118
   D298      -3.13248   0.00010   0.00067   0.00508   0.00572  -3.12676
   D299       3.12771   0.00007   0.00700   0.00117   0.00820   3.13591
   D300      -0.00416   0.00021   0.00698   0.00749   0.01449   0.01033
   D301       3.12886   0.00002   0.00560  -0.00111   0.00448   3.13334
   D302      -0.01294   0.00005   0.00486   0.00084   0.00569  -0.00725
   D303       0.00487  -0.00011  -0.00284  -0.00430  -0.00716  -0.00230
   D304      -3.13693  -0.00008  -0.00359  -0.00236  -0.00596   3.14029
   D305      -3.12939   0.00002  -0.00500   0.00255  -0.00246  -3.13185
   D306       0.01460  -0.00008  -0.01475   0.00063  -0.01416   0.00043
   D307       0.00030  -0.00014  -0.00503  -0.00517  -0.01020  -0.00990
   D308      -3.13890  -0.00024  -0.01477  -0.00710  -0.02190   3.12239
   D309       0.00225   0.00004   0.00261   0.00091   0.00351   0.00576
   D310       3.14031   0.00003  -0.00358   0.00231  -0.00128   3.13904
   D311      -3.13932   0.00007   0.00175   0.00286   0.00462  -3.13469
   D312      -0.00125   0.00006  -0.00443   0.00427  -0.00016  -0.00142
   D313       0.00181  -0.00010  -0.00457  -0.00324  -0.00781  -0.00600
   D314       3.13766  -0.00003  -0.00434  -0.00031  -0.00464   3.13302
   D315      -3.13626  -0.00010   0.00161  -0.00464  -0.00304  -3.13930
   D316      -0.00041  -0.00002   0.00183  -0.00171   0.00013  -0.00028
   D317      -0.00292   0.00002   0.00092   0.00017   0.00107  -0.00185
   D318       3.13973  -0.00007  -0.00767  -0.00176  -0.00939   3.13034
   D319      -3.13879  -0.00006   0.00067  -0.00275  -0.00209  -3.14088
   D320       0.00386  -0.00015  -0.00791  -0.00468  -0.01255  -0.00869
   D321      -0.00285   0.00002   0.00086   0.00014   0.00098  -0.00187
   D322      -3.13945  -0.00006   0.00128  -0.00308  -0.00183  -3.14128
   D323       3.14127  -0.00008  -0.00898  -0.00163  -0.01057   3.13071
   D324       0.00468  -0.00016  -0.00856  -0.00486  -0.01338  -0.00870
   D325       0.00206  -0.00011  -0.00494  -0.00319  -0.00813  -0.00607
   D326      -3.13649  -0.00010   0.00182  -0.00498  -0.00316  -3.13966
   D327       3.13864  -0.00003  -0.00538   0.00005  -0.00532   3.13332
   D328       0.00009  -0.00003   0.00138  -0.00174  -0.00035  -0.00026
   D329       0.00188   0.00004   0.00301   0.00091   0.00392   0.00580
   D330      -3.13990   0.00007   0.00220   0.00269   0.00490  -3.13500
   D331       3.14043   0.00004  -0.00376   0.00270  -0.00107   3.13936
   D332      -0.00135   0.00007  -0.00457   0.00448  -0.00009  -0.00144
   D333       0.00181   0.00004   0.00290   0.00079   0.00369   0.00549
   D334       3.14017   0.00003  -0.00363   0.00247  -0.00117   3.13901
   D335      -3.14005   0.00007   0.00205   0.00270   0.00476  -3.13529
   D336      -0.00169   0.00006  -0.00447   0.00438  -0.00009  -0.00178
   D337       0.00214  -0.00011  -0.00482  -0.00310  -0.00792  -0.00579
   D338       3.13830  -0.00003  -0.00484  -0.00009  -0.00492   3.13338
   D339      -3.13623  -0.00010   0.00170  -0.00478  -0.00309  -3.13933
   D340      -0.00007  -0.00002   0.00167  -0.00177  -0.00009  -0.00016
   D341      -0.00265   0.00002   0.00079   0.00021   0.00099  -0.00166
   D342       3.14100  -0.00008  -0.00839  -0.00175  -0.01010   3.13090
   D343      -3.13883  -0.00006   0.00080  -0.00279  -0.00202  -3.14085
   D344       0.00482  -0.00016  -0.00839  -0.00476  -0.01310  -0.00829
   D345      -0.00272   0.00002   0.00084   0.00020   0.00102  -0.00169
   D346      -3.13903  -0.00006   0.00095  -0.00293  -0.00199  -3.14102
   D347       3.14086  -0.00008  -0.00857  -0.00164  -0.01017   3.13069
   D348       0.00455  -0.00016  -0.00846  -0.00477  -0.01319  -0.00864
   D349       0.00214  -0.00010  -0.00484  -0.00314  -0.00799  -0.00584
   D350      -3.13636  -0.00010   0.00178  -0.00487  -0.00310  -3.13946
   D351       3.13844  -0.00003  -0.00497  -0.00001  -0.00497   3.13347
   D352      -0.00006  -0.00002   0.00165  -0.00174  -0.00008  -0.00014
   D353       0.00185   0.00004   0.00290   0.00080   0.00370   0.00555
   D354      -3.14009   0.00007   0.00217   0.00269   0.00488  -3.13521
   D355       3.14034   0.00003  -0.00373   0.00253  -0.00120   3.13913
   D356      -0.00160   0.00007  -0.00446   0.00442  -0.00003  -0.00163
   D357      -0.00187  -0.00004  -0.00293  -0.00087  -0.00380  -0.00567
   D358      -3.14041  -0.00004   0.00372  -0.00257   0.00116  -3.13925
   D359       3.13993  -0.00007  -0.00218  -0.00281  -0.00501   3.13492
   D360       0.00139  -0.00007   0.00447  -0.00451  -0.00005   0.00134
   D361      -0.00206   0.00011   0.00493   0.00320   0.00813   0.00607
   D362      -3.13857   0.00003   0.00514   0.00005   0.00518  -3.13339
   D363       3.13648   0.00010  -0.00171   0.00490   0.00319   3.13967
   D364      -0.00002   0.00003  -0.00150   0.00175   0.00024   0.00022
   D365       0.00281  -0.00002  -0.00091  -0.00016  -0.00106   0.00175
   D366      -3.14117   0.00008   0.00887   0.00176   0.01058  -3.13059
   D367       3.13932   0.00006  -0.00110   0.00298   0.00189   3.14121
   D368      -0.00466   0.00016   0.00868   0.00489   0.01353   0.00887
   D369       0.00289  -0.00002  -0.00092  -0.00007  -0.00098   0.00191
   D370       3.13848   0.00006  -0.00082   0.00298   0.00218   3.14066
   D371      -3.13936   0.00007   0.00812   0.00148   0.00957  -3.12980
   D372      -0.00377   0.00015   0.00823   0.00454   0.01273   0.00895
   D373      -0.00180   0.00010   0.00473   0.00309   0.00783   0.00603
   D374       3.13596   0.00010  -0.00160   0.00476   0.00317   3.13913
   D375      -3.13737   0.00003   0.00465   0.00002   0.00467  -3.13271
   D376       0.00038   0.00002  -0.00168   0.00170   0.00001   0.00039
   D377      -0.00221  -0.00004  -0.00271  -0.00089  -0.00360  -0.00582
   D378       3.13911  -0.00007  -0.00196  -0.00267  -0.00465   3.13446
   D379      -3.13996  -0.00004   0.00363  -0.00256   0.00107  -3.13889
   D380       0.00136  -0.00006   0.00438  -0.00435   0.00003   0.00139
         Item               Value     Threshold  Converged?
 Maximum Force            0.004847     0.000450     NO 
 RMS     Force            0.000515     0.000300     NO 
 Maximum Displacement     1.251588     0.001800     NO 
 RMS     Displacement     0.223843     0.001200     NO 
 Predicted change in Energy=-2.066632D-03
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C74H46ClN5
 Framework group  C1[X(C74H46ClN5)]
 Deg. of freedom   372
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        1.246979    2.426770   -0.010537
      2          6           0        1.591194    1.072534   -0.004228
      3          6           0        0.627986    0.048857    0.060055
      4          6           0       -0.737427    0.422883    0.095076
      5          6           0       -1.089641    1.784798    0.089896
      6          6           0       -0.121340    2.769664    0.042941
      7          6           0        0.993999   -1.375170    0.087159
      8          6           0       -0.013166   -2.385745    0.130998
      9          6           0       -1.416626   -1.997058    0.135427
     10          6           0       -1.779971   -0.597986    0.118502
     11          6           0        2.339632   -1.777887    0.094082
     12          6           0        2.728504   -3.119028    0.128098
     13          6           0        1.716772   -4.099611    0.164920
     14          6           0        0.383607   -3.739020    0.170361
     15          7           0       -2.410261   -2.899508    0.165288
     16          6           0       -3.720186   -2.519552    0.126434
     17          6           0       -4.027591   -1.124041    0.108460
     18          7           0       -3.044917   -0.196432    0.120885
     19          6           0       -4.774265   -3.466377    0.085583
     20          6           0       -6.073022   -3.019613    0.048551
     21          6           0       -6.413908   -1.628989    0.050691
     22          6           0       -5.380707   -0.706844    0.080997
     23          6           0        2.291979    3.472617   -0.074223
     24          6           0        4.158595   -3.494942    0.130505
     25          6           0       -7.830402   -1.201734    0.015004
     26          6           0        4.617593   -4.589844    0.884475
     27          6           0        5.963380   -4.944040    0.896849
     28          6           0        6.890245   -4.217251    0.138556
     29          6           0        6.447585   -3.129816   -0.625467
     30          6           0        5.102383   -2.773202   -0.621844
     31          6           0        2.100153    4.643693   -0.828905
     32          6           0        3.082941    5.626898   -0.898876
     33          6           0        4.286834    5.470544   -0.200435
     34          6           0        4.490292    4.313848    0.562578
     35          6           0        3.507360    3.329786    0.618189
     36          6           0       -8.846450   -1.989647    0.586404
     37          6           0      -10.177267   -1.582943    0.566964
     38          6           0      -10.537328   -0.374271   -0.041257
     39          6           0       -9.539471    0.419171   -0.622984
     40          6           0       -8.210596    0.011114   -0.589181
     41          7           0        5.290080    6.475221   -0.263430
     42          7           0        8.263728   -4.580244    0.141545
     43          7           0      -11.894655    0.040870   -0.071583
     44          6           0        8.789383   -5.793891   -0.316636
     45          6           0       10.200031   -5.774529   -0.154010
     46          6           0       10.537870   -4.491186    0.429303
     47          6           0        9.318881   -3.781531    0.595976
     48          6           0        6.566037    6.321930   -0.816722
     49          6           0        7.272507    7.547560   -0.690529
     50          6           0        6.380457    8.479932   -0.029908
     51          6           0        5.167465    7.783602    0.217085
     52          6           0      -12.408346    1.198779    0.523713
     53          6           0      -13.803916    1.265965    0.269324
     54          6           0      -14.144421    0.096353   -0.516603
     55          6           0      -12.942687   -0.636044   -0.706406
     56          6           0       11.742151   -3.895683    0.821891
     57          6           0       11.719158   -2.616921    1.371638
     58          6           0       10.502105   -1.932964    1.537891
     59          6           0        9.288421   -2.501143    1.156019
     60          6           0        8.131934   -6.893302   -0.876058
     61          6           0        8.909091   -7.983776   -1.261262
     62          6           0       10.305698   -7.986121   -1.098953
     63          6           0       10.955579   -6.884365   -0.549922
     64          6           0        6.502736    9.815678    0.370204
     65          6           0        5.429864   10.434206    1.005997
     66          6           0        4.239828    9.726399    1.250305
     67          6           0        4.089885    8.396341    0.863016
     68          6           0        7.140596    5.205620   -1.431173
     69          6           0        8.443245    5.329937   -1.909971
     70          6           0        9.161066    6.532476   -1.785618
     71          6           0        8.580096    7.643536   -1.180690
     72          6           0      -15.338199   -0.381471   -1.069561
     73          6           0      -15.321033   -1.567220   -1.798603
     74          6           0      -14.119996   -2.274079   -1.984373
     75          6           0      -12.917131   -1.822283   -1.445276
     76          6           0      -11.754129    2.175817    1.279545
     77          6           0      -12.517993    3.233163    1.769661
     78          6           0      -13.898711    3.321049    1.519739
     79          6           0      -14.546234    2.339777    0.774241
     80          1           0       -2.272923   -4.025147    0.336388
     81          1           0        2.640896    0.820912   -0.078854
     82          1           0       -2.141508    2.041568    0.130476
     83          1           0       -0.412429    3.814444    0.066999
     84          1           0        3.120687   -1.029153    0.105590
     85          1           0        1.981189   -5.151174    0.166635
     86          1           0       -0.354698   -4.529218    0.172034
     87          1           0       -4.533800   -4.523489    0.079087
     88          1           0       -6.867680   -3.754374   -0.019333
     89          1           0       -5.565427    0.360507    0.112499
     90          1           0        3.917465   -5.149466    1.496439
     91          1           0        6.304983   -5.772449    1.508273
     92          1           0        7.156977   -2.582407   -1.237075
     93          1           0        4.772348   -1.946967   -1.243721
     94          1           0        1.184180    4.769453   -1.397427
     95          1           0        2.930661    6.510148   -1.510169
     96          1           0        5.409707    4.201230    1.127382
     97          1           0        3.668989    2.454111    1.239062
     98          1           0       -8.593708   -2.911275    1.100182
     99          1           0      -10.939034   -2.191341    1.042636
    100          1           0       -9.813225    1.342280   -1.122707
    101          1           0       -7.464348    0.623509   -1.084864
    102          1           0       12.681363   -4.427494    0.698929
    103          1           0       12.645887   -2.144767    1.682380
    104          1           0       10.502629   -0.938998    1.976023
    105          1           0        8.354693   -1.968372    1.298577
    106          1           0        7.056548   -6.899315   -1.015566
    107          1           0        8.419811   -8.849291   -1.698640
    108          1           0       10.879919   -8.852466   -1.412044
    109          1           0       12.035213   -6.882733   -0.429718
    110          1           0        7.424612   10.360082    0.186300
    111          1           0        5.512569   11.468937    1.323482
    112          1           0        3.415868   10.223150    1.754528
    113          1           0        3.170889    7.857316    1.065483
    114          1           0        6.592707    4.276247   -1.541493
    115          1           0        8.910196    4.475661   -2.391717
    116          1           0       10.173586    6.594349   -2.171955
    117          1           0        9.131926    8.574781   -1.089521
    118          1           0      -16.264573    0.168596   -0.930722
    119          1           0      -16.239442   -1.947653   -2.234569
    120          1           0      -14.124261   -3.193547   -2.562628
    121          1           0      -11.995258   -2.370863   -1.603904
    122          1           0      -10.691764    2.113098    1.488054
    123          1           0      -12.031071    4.003766    2.360386
    124          1           0      -14.463321    4.157707    1.919133
    125          1           0      -15.614229    2.403386    0.586202
    126         17           0       -2.369486   -5.705509    0.829764
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           0.0230268           0.0074546           0.0057236
 Standard basis: 6-31G(d,p) (6D, 7F)
 There are  1434 symmetry adapted cartesian basis functions of A   symmetry.
 There are  1434 symmetry adapted basis functions of A   symmetry.
  1434 basis functions,  2586 primitive gaussians,  1434 cartesian basis functions
   271 alpha electrons      271 beta electrons
       nuclear repulsion energy     10543.0702405547 Hartrees.
 NAtoms=  126 NActive=  126 NUniq=  126 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=T Big=T
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 One-electron integrals computed using PRISM.
 NBasis=  1434 RedAO= T EigKep=  1.53D-04  NBF=  1434
 NBsUse=  1434 1.00D-06 EigRej= -1.00D+00 NBFU=  1434
 Initial guess from the checkpoint file:  "ph.chk"
 B after Tr=    -0.000000    0.000000   -0.000000
         Rot=    0.999989    0.004747   -0.000061    0.000132 Ang=   0.54 deg.
 ExpMin= 1.43D-01 ExpMax= 2.52D+04 ExpMxC= 3.78D+03 IAcc=2 IRadAn=         4 AccDes= 0.00D+00
 Harris functional with IExCor=  402 and IRadAn=       4 diagonalized for initial guess.
 HarFok:  IExCor=  402 AccDes= 0.00D+00 IRadAn=         4 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=        2001
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Petite list used in FoFCou.
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Integral accuracy reduced to 1.0D-05 until final iterations.
 Initial convergence to 1.0D-05 achieved.  Increase integral accuracy.
 SCF Done:  E(RB3LYP) =  -3581.77872442     A.U. after   15 cycles
            NFock= 15  Conv=0.31D-08     -V/T= 2.0089
 Calling FoFJK, ICntrl=      2127 FMM=T ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.002224092   -0.001622210    0.000377223
      2        6           0.000434279    0.001174129   -0.000635587
      3        6           0.001012804    0.001692128   -0.000412776
      4        6          -0.001900184   -0.001267008    0.000499414
      5        6          -0.000428365    0.000868938    0.000073125
      6        6          -0.000190744   -0.000875948    0.000415415
      7        6           0.000412332   -0.000875664   -0.000652250
      8        6          -0.000795489    0.001178806   -0.000896263
      9        6          -0.004241810   -0.000334598   -0.001538633
     10        6           0.001676183    0.000654354    0.000076205
     11        6           0.000552662    0.000075618    0.000491103
     12        6           0.002296933    0.000329607   -0.000500212
     13        6          -0.001581391    0.001326189   -0.000942676
     14        6          -0.000367696   -0.000620535    0.003815900
     15        7           0.002117040    0.001302668    0.002068869
     16        6           0.002451771    0.001633747    0.000498016
     17        6          -0.000407873   -0.000883462    0.000402578
     18        7          -0.000559747   -0.002340151    0.000347181
     19        6          -0.000846278   -0.000125649   -0.000526577
     20        6          -0.000252626    0.000626550    0.000900571
     21        6          -0.001935854   -0.000940790   -0.000232533
     22        6           0.000536084   -0.000520123   -0.000708618
     23        6          -0.002772756    0.001741274   -0.000288409
     24        6          -0.002653843   -0.001547195    0.000163350
     25        6           0.002589198    0.001682830    0.000094673
     26        6           0.000510226    0.000102193    0.000573018
     27        6          -0.000009444    0.000320973    0.000370164
     28        6           0.000339819    0.000143723   -0.000014589
     29        6           0.000157393    0.000094364   -0.000309397
     30        6           0.000176209    0.000053977   -0.000632215
     31        6           0.000412339   -0.000351716   -0.000593899
     32        6           0.000043139   -0.000261918   -0.000341474
     33        6           0.000458520   -0.000255387    0.000021537
     34        6           0.000173281    0.000056442    0.000326616
     35        6           0.000170432   -0.000122235    0.000582035
     36        6          -0.000613450   -0.000038852   -0.000820198
     37        6          -0.000212655    0.000118994    0.000290316
     38        6          -0.000544946   -0.000191008    0.000041781
     39        6           0.000275999   -0.000140886   -0.000309587
     40        6          -0.000290185   -0.000577882    0.000791938
     41        7           0.000621868   -0.000323549    0.000082986
     42        7           0.000794854    0.000507431    0.000073963
     43        7          -0.000879951   -0.000558888   -0.000005313
     44        6          -0.001020945   -0.001868431   -0.000758268
     45        6           0.000918182    0.001032319   -0.000521281
     46        6           0.001362157    0.000315270    0.000528229
     47        6          -0.002134487   -0.000056085    0.000730914
     48        6          -0.001964234   -0.000030960   -0.000870909
     49        6           0.001395541   -0.000261376   -0.000441400
     50        6           0.000904766   -0.001001416    0.000648368
     51        6          -0.001142364    0.001741991    0.000583051
     52        6           0.000867114    0.002056927    0.000625350
     53        6          -0.000962404   -0.001000628    0.000564420
     54        6          -0.001268296   -0.000480713   -0.000608473
     55        6           0.002262148    0.000000726   -0.000580494
     56        6           0.000163928    0.000275357    0.000043894
     57        6           0.000900636    0.000034737   -0.000130507
     58        6          -0.000290537    0.000001237   -0.000037345
     59        6           0.000085103   -0.000820946    0.000051525
     60        6          -0.000695204    0.000477575   -0.000016855
     61        6          -0.000132188   -0.000250165    0.000057078
     62        6           0.000447569    0.000783806    0.000142120
     63        6           0.000318664    0.000019020   -0.000068050
     64        6           0.000322150    0.000004229    0.000071774
     65        6           0.000473629   -0.000761583   -0.000083023
     66        6          -0.000131476    0.000252628   -0.000067436
     67        6          -0.000671803   -0.000506845    0.000015200
     68        6           0.000057890    0.000832714   -0.000055591
     69        6          -0.000278875   -0.000020841    0.000016695
     70        6           0.000881943    0.000026365    0.000196406
     71        6           0.000176288   -0.000274440   -0.000023967
     72        6          -0.000153604   -0.000278703   -0.000029019
     73        6          -0.000906516   -0.000053970    0.000047562
     74        6           0.000287475    0.000014594    0.000075253
     75        6          -0.000118571    0.000850728   -0.000143403
     76        6           0.000710633   -0.000451081    0.000183026
     77        6           0.000134830    0.000264280   -0.000068996
     78        6          -0.000403775   -0.000812835   -0.000069581
     79        6          -0.000310024   -0.000026555    0.000016503
     80        1          -0.000694694    0.001439536   -0.002089421
     81        1          -0.000128758   -0.000092936    0.000033769
     82        1          -0.000242989   -0.000013782    0.000029248
     83        1           0.000138769    0.000189411   -0.000112432
     84        1           0.000087313    0.000196507    0.000046741
     85        1           0.000423560   -0.000188675    0.000193304
     86        1           0.003228778   -0.001207372   -0.001548490
     87        1          -0.000428148   -0.000674081   -0.000861689
     88        1           0.000266351    0.000072819   -0.000146985
     89        1           0.000039376    0.000188807    0.000166559
     90        1           0.000050964   -0.000062818   -0.000118545
     91        1          -0.000288934   -0.000215603    0.000205553
     92        1          -0.000356824   -0.000191447   -0.000238894
     93        1          -0.000056882    0.000042880    0.000156402
     94        1           0.000073599    0.000104023    0.000128464
     95        1          -0.000316619    0.000216888   -0.000258369
     96        1          -0.000395219    0.000175005    0.000197999
     97        1          -0.000066702   -0.000021305   -0.000124565
     98        1          -0.000262140   -0.000314180    0.000336156
     99        1           0.000363725    0.000291570    0.000256199
    100        1           0.000437642    0.000236758   -0.000255101
    101        1          -0.000328699   -0.000127745   -0.000368291
    102        1          -0.000049856    0.000083657   -0.000146999
    103        1          -0.000056592    0.000060279    0.000144132
    104        1          -0.000171573   -0.000174888    0.000021411
    105        1           0.000316637    0.000024035    0.000352098
    106        1           0.000178792    0.000247926   -0.000385931
    107        1          -0.000235071   -0.000064749   -0.000041647
    108        1           0.000029012   -0.000077931   -0.000153267
    109        1           0.000045149   -0.000086444    0.000147236
    110        1           0.000054825    0.000083486   -0.000145319
    111        1           0.000015002    0.000083292    0.000146174
    112        1          -0.000245197    0.000061621    0.000008931
    113        1           0.000158411   -0.000242612    0.000401899
    114        1           0.000347278   -0.000045289   -0.000363485
    115        1          -0.000178823    0.000171143   -0.000044553
    116        1          -0.000043420   -0.000067771   -0.000147931
    117        1          -0.000063677   -0.000083374    0.000143969
    118        1           0.000040102   -0.000061656    0.000159820
    119        1           0.000073523   -0.000077815   -0.000136171
    120        1           0.000162376    0.000182334   -0.000042263
    121        1          -0.000253451   -0.000107634   -0.000382764
    122        1          -0.000192667   -0.000219169    0.000375809
    123        1           0.000232643    0.000081205    0.000043231
    124        1          -0.000047942    0.000093877    0.000133017
    125        1          -0.000037125    0.000065769   -0.000161840
    126       17          -0.000659337   -0.000909758    0.001407288
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.004241810 RMS     0.000784816

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.003303790 RMS     0.000520572
 Search for a local minimum.
 Step number  11 out of a maximum of  756
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points   10   11
 DE= -2.13D-03 DEPred=-2.07D-03 R= 1.03D+00
 TightC=F SS=  1.41D+00  RLast= 5.27D-01 DXNew= 5.0454D+00 1.5805D+00
 Trust test= 1.03D+00 RLast= 5.27D-01 DXMaxT set to 3.00D+00
 ITU=  1  1  1  1  1  1  1  1  0  1  0
     Eigenvalues ---    0.00699   0.01382   0.02544   0.02576   0.02651
     Eigenvalues ---    0.02672   0.02676   0.02689   0.02692   0.02700
     Eigenvalues ---    0.02705   0.02706   0.02706   0.02707   0.02714
     Eigenvalues ---    0.02716   0.02717   0.02727   0.02741   0.02752
     Eigenvalues ---    0.02758   0.02758   0.02765   0.02768   0.02769
     Eigenvalues ---    0.02773   0.02781   0.02786   0.02786   0.02787
     Eigenvalues ---    0.02790   0.02792   0.02792   0.02793   0.02793
     Eigenvalues ---    0.02793   0.02793   0.02794   0.02796   0.02800
     Eigenvalues ---    0.02801   0.02801   0.02802   0.02804   0.02805
     Eigenvalues ---    0.02808   0.02808   0.02809   0.02809   0.02810
     Eigenvalues ---    0.02811   0.02815   0.02818   0.02818   0.02818
     Eigenvalues ---    0.02819   0.02819   0.02820   0.02827   0.02833
     Eigenvalues ---    0.02836   0.02837   0.02845   0.02845   0.02845
     Eigenvalues ---    0.02845   0.02845   0.02849   0.02851   0.02859
     Eigenvalues ---    0.02861   0.02865   0.02868   0.02868   0.02868
     Eigenvalues ---    0.02870   0.02872   0.02872   0.02876   0.02877
     Eigenvalues ---    0.02877   0.02877   0.02877   0.02878   0.02883
     Eigenvalues ---    0.02884   0.02884   0.02885   0.02885   0.02885
     Eigenvalues ---    0.02885   0.02885   0.02885   0.02886   0.02894
     Eigenvalues ---    0.02895   0.02895   0.02896   0.02897   0.02897
     Eigenvalues ---    0.02898   0.02898   0.02898   0.02901   0.02909
     Eigenvalues ---    0.02909   0.02934   0.02941   0.02942   0.02953
     Eigenvalues ---    0.02972   0.03025   0.03025   0.03026   0.03051
     Eigenvalues ---    0.03136   0.03136   0.03136   0.03149   0.03151
     Eigenvalues ---    0.03257   0.03349   0.03949   0.05259   0.10260
     Eigenvalues ---    0.15498   0.15889   0.15968   0.15982   0.15985
     Eigenvalues ---    0.15986   0.15989   0.15990   0.15992   0.15993
     Eigenvalues ---    0.15995   0.15996   0.15996   0.15997   0.15997
     Eigenvalues ---    0.15997   0.15997   0.15998   0.15999   0.15999
     Eigenvalues ---    0.15999   0.15999   0.15999   0.15999   0.15999
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16002   0.16006   0.16038   0.16063   0.16173
     Eigenvalues ---    0.17478   0.22000   0.22000   0.22000   0.22000
     Eigenvalues ---    0.22000   0.22001   0.22002   0.22002   0.22074
     Eigenvalues ---    0.22321   0.22435   0.22468   0.22560   0.22602
     Eigenvalues ---    0.22602   0.22603   0.22603   0.22603   0.22707
     Eigenvalues ---    0.22965   0.22968   0.23193   0.23436   0.23493
     Eigenvalues ---    0.23518   0.23960   0.24001   0.24040   0.24388
     Eigenvalues ---    0.24494   0.24494   0.24495   0.24543   0.24543
     Eigenvalues ---    0.24564   0.24618   0.24730   0.24836   0.24992
     Eigenvalues ---    0.24996   0.24996   0.24996   0.24996   0.24997
     Eigenvalues ---    0.24997   0.24999   0.24999   0.25000   0.25000
     Eigenvalues ---    0.25000   0.25000   0.25000   0.25000   0.25000
     Eigenvalues ---    0.25006   0.25011   0.25050   0.25105   0.25451
     Eigenvalues ---    0.26238   0.32954   0.33248   0.33252   0.33254
     Eigenvalues ---    0.33256   0.33257   0.33291   0.33299   0.33390
     Eigenvalues ---    0.33393   0.33396   0.33399   0.33401   0.33429
     Eigenvalues ---    0.33499   0.33562   0.33567   0.33570   0.33572
     Eigenvalues ---    0.33577   0.33613   0.33622   0.33639   0.33644
     Eigenvalues ---    0.33651   0.33660   0.33665   0.33688   0.33710
     Eigenvalues ---    0.33724   0.33769   0.33814   0.33829   0.33831
     Eigenvalues ---    0.33835   0.33840   0.33897   0.33929   0.33930
     Eigenvalues ---    0.33932   0.33936   0.33940   0.34233   0.34936
     Eigenvalues ---    0.35007   0.35189   0.44444   0.44445   0.44446
     Eigenvalues ---    0.45047   0.48078   0.48204   0.48589   0.48974
     Eigenvalues ---    0.48975   0.49281   0.49306   0.49491   0.49809
     Eigenvalues ---    0.49817   0.49818   0.49930   0.49961   0.50003
     Eigenvalues ---    0.50175   0.50419   0.50422   0.50626   0.50627
     Eigenvalues ---    0.50630   0.50938   0.51864   0.52311   0.52450
     Eigenvalues ---    0.52636   0.53171   0.53897   0.54111   0.54116
     Eigenvalues ---    0.54201   0.54203   0.54205   0.54449   0.54660
     Eigenvalues ---    0.54917   0.55091   0.55196   0.55316   0.55332
     Eigenvalues ---    0.55350   0.55365   0.55387   0.55397   0.55433
     Eigenvalues ---    0.55636   0.55651   0.55711   0.55711   0.55729
     Eigenvalues ---    0.55948   0.55951   0.56018   0.56146   0.56148
     Eigenvalues ---    0.56148   0.56184   0.56280   0.56286   0.56294
     Eigenvalues ---    0.56489   0.56661   0.56664   0.56669   0.56670
     Eigenvalues ---    0.56676   0.56680   0.56763   0.56792   0.56890
     Eigenvalues ---    0.56903   0.56907   0.57126   0.57169   0.57171
     Eigenvalues ---    0.57172   0.57182   0.57183   0.59672   0.61668
     Eigenvalues ---    0.64181   0.66086   0.66095   0.66519   0.67703
     Eigenvalues ---    0.67708   0.67715   0.70107   0.70132   0.70564
     Eigenvalues ---    0.73780   0.76250
 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF=       -3 using points:    11   10    9
 RFO step:  Lambda=-1.82418731D-03.
 DidBck=F Rises=F RFO-DIIS coefs:    1.57433   -0.51574   -0.05858
 Iteration  1 RMS(Cart)=  0.16444107 RMS(Int)=  0.00425592
 Iteration  2 RMS(Cart)=  0.02681138 RMS(Int)=  0.00031903
 Iteration  3 RMS(Cart)=  0.00033401 RMS(Int)=  0.00030620
 Iteration  4 RMS(Cart)=  0.00000007 RMS(Int)=  0.00030620
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        2.64054  -0.00091   0.00175  -0.00184  -0.00009   2.64045
    R2        2.66762  -0.00076   0.00009  -0.00137  -0.00125   2.66636
    R3        2.79646   0.00180  -0.00329   0.00609   0.00280   2.79926
    R4        2.65896  -0.00008  -0.00066   0.00050  -0.00018   2.65878
    R5        2.04471   0.00016  -0.00054  -0.00056  -0.00110   2.04361
    R6        2.67613  -0.00093   0.00198  -0.00047   0.00150   2.67763
    R7        2.77896   0.00156  -0.00177   0.00597   0.00417   2.78313
    R8        2.65834   0.00032  -0.00088   0.00103   0.00014   2.65848
    R9        2.75772   0.00058  -0.00146   0.00325   0.00184   2.75956
   R10        2.61150  -0.00088   0.00050  -0.00187  -0.00135   2.61015
   R11        2.04754  -0.00022   0.00048  -0.00078  -0.00030   2.04724
   R12        2.05005   0.00020  -0.00017   0.00025   0.00008   2.05013
   R13        2.69746  -0.00141   0.00133  -0.00355  -0.00233   2.69513
   R14        2.65435  -0.00065   0.00141  -0.00095   0.00041   2.65476
   R15        2.75200  -0.00330   0.00671  -0.00933  -0.00264   2.74936
   R16        2.66601   0.00061  -0.00200   0.00113  -0.00088   2.66513
   R17        2.73176  -0.00195  -0.00029  -0.00510  -0.00552   2.72624
   R18        2.53718  -0.00021  -0.00229  -0.00141  -0.00325   2.53393
   R19        2.50796  -0.00107   0.00243  -0.00039   0.00148   2.50944
   R20        2.63956   0.00064  -0.00159   0.00198   0.00040   2.63996
   R21        2.04473   0.00001  -0.00008  -0.00119  -0.00128   2.04346
   R22        2.66344  -0.00038   0.00206  -0.00020   0.00191   2.66535
   R23        2.79429   0.00157  -0.00296   0.00545   0.00249   2.79679
   R24        2.60986  -0.00018  -0.00097  -0.00080  -0.00172   2.60814
   R25        2.04903   0.00022  -0.00056   0.00047  -0.00009   2.04894
   R26        2.04362   0.00318  -0.00224   0.01044   0.00820   2.05182
   R27        2.57848  -0.00077  -0.00015  -0.00102  -0.00061   2.57786
   R28        2.16718  -0.00122  -0.00089  -0.02325  -0.02196   2.14522
   R29        5.44977   0.00028   0.02697   0.00528   0.03003   5.47980
   R30        2.70057  -0.00166   0.00524  -0.00312   0.00233   2.70290
   R31        2.67864  -0.00150   0.00233  -0.00343  -0.00100   2.67763
   R32        2.55376   0.00034  -0.00063   0.00260   0.00155   2.55531
   R33        2.67630  -0.00046   0.00116  -0.00052   0.00064   2.67695
   R34        2.59639  -0.00019  -0.00084  -0.00019  -0.00103   2.59535
   R35        2.04872   0.00053  -0.00094   0.00228   0.00134   2.05006
   R36        2.70570  -0.00031   0.00042   0.00026   0.00059   2.70629
   R37        2.04925   0.00018   0.00069   0.00016   0.00085   2.05010
   R38        2.61764  -0.00063  -0.00093  -0.00082  -0.00185   2.61579
   R39        2.79672   0.00078  -0.00642   0.00438  -0.00204   2.79468
   R40        2.04785   0.00016   0.00040   0.00002   0.00041   2.04826
   R41        2.65758  -0.00063   0.00096  -0.00130  -0.00034   2.65723
   R42        2.65706  -0.00035   0.00037  -0.00078  -0.00041   2.65664
   R43        2.65771  -0.00051   0.00070  -0.00098  -0.00028   2.65743
   R44        2.65752  -0.00036   0.00040  -0.00079  -0.00040   2.65712
   R45        2.65885  -0.00080   0.00052  -0.00163  -0.00111   2.65774
   R46        2.65947  -0.00069  -0.00017  -0.00140  -0.00157   2.65790
   R47        2.62988  -0.00041  -0.00027  -0.00077  -0.00105   2.62883
   R48        2.05090   0.00012   0.00030   0.00004   0.00034   2.05125
   R49        2.64717  -0.00071   0.00088  -0.00097  -0.00009   2.64708
   R50        2.04998   0.00011  -0.00031  -0.00010  -0.00041   2.04957
   R51        2.64710  -0.00070   0.00062  -0.00083  -0.00021   2.64689
   R52        2.68463  -0.00090   0.00033   0.00011   0.00044   2.68507
   R53        2.62988  -0.00044  -0.00007  -0.00087  -0.00094   2.62894
   R54        2.05012   0.00011  -0.00022  -0.00016  -0.00039   2.04973
   R55        2.05130   0.00011   0.00022  -0.00006   0.00016   2.05147
   R56        2.63036  -0.00038  -0.00032  -0.00066  -0.00098   2.62938
   R57        2.05106   0.00017   0.00023   0.00013   0.00037   2.05143
   R58        2.64671  -0.00077   0.00086  -0.00108  -0.00023   2.64649
   R59        2.05016   0.00012  -0.00028  -0.00012  -0.00040   2.04976
   R60        2.64665  -0.00078   0.00057  -0.00103  -0.00046   2.64620
   R61        2.68570  -0.00078   0.00037   0.00039   0.00076   2.68646
   R62        2.63047  -0.00040  -0.00002  -0.00075  -0.00077   2.62970
   R63        2.05016   0.00012  -0.00028  -0.00009  -0.00037   2.04979
   R64        2.05139   0.00007   0.00021  -0.00015   0.00005   2.05144
   R65        2.62995  -0.00032  -0.00048  -0.00052  -0.00100   2.62895
   R66        2.05037   0.00016   0.00115   0.00005   0.00120   2.05157
   R67        2.64593  -0.00058   0.00154  -0.00074   0.00081   2.64674
   R68        2.04990   0.00011  -0.00029  -0.00012  -0.00041   2.04949
   R69        2.64810  -0.00076   0.00097  -0.00099  -0.00002   2.64807
   R70        2.68288  -0.00092   0.00013   0.00022   0.00035   2.68323
   R71        2.62771  -0.00016   0.00019  -0.00035  -0.00016   2.62755
   R72        2.04998   0.00012  -0.00028  -0.00010  -0.00037   2.04960
   R73        2.05069   0.00010   0.00091  -0.00011   0.00080   2.05149
   R74        2.64406  -0.00050   0.00286   0.00157   0.00443   2.64849
   R75        2.64413  -0.00048   0.00280   0.00163   0.00443   2.64856
   R76        2.64506  -0.00041   0.00286   0.00177   0.00462   2.64969
   R77        2.64413  -0.00040   0.00276   0.00179   0.00455   2.64868
   R78        2.64495  -0.00037   0.00279   0.00182   0.00460   2.64955
   R79        2.64534  -0.00034   0.00291   0.00184   0.00475   2.65009
   R80        2.68364  -0.00154   0.00147  -0.00274  -0.00127   2.68238
   R81        2.64149  -0.00090   0.00025  -0.00124  -0.00099   2.64051
   R82        2.73936  -0.00054   0.00196  -0.00093   0.00103   2.74039
   R83        2.64517  -0.00020  -0.00072  -0.00018  -0.00090   2.64427
   R84        2.68403  -0.00155   0.00155  -0.00278  -0.00123   2.68279
   R85        2.64497  -0.00019  -0.00075  -0.00015  -0.00090   2.64407
   R86        2.64154  -0.00089   0.00025  -0.00123  -0.00098   2.64056
   R87        2.68394  -0.00153   0.00147  -0.00269  -0.00122   2.68272
   R88        2.64144  -0.00090   0.00023  -0.00123  -0.00100   2.64044
   R89        2.73945  -0.00056   0.00199  -0.00099   0.00100   2.74044
   R90        2.64512  -0.00019  -0.00074  -0.00015  -0.00089   2.64423
   R91        2.68396  -0.00154   0.00151  -0.00271  -0.00120   2.68276
   R92        2.64512  -0.00018  -0.00075  -0.00014  -0.00088   2.64423
   R93        2.64147  -0.00091   0.00023  -0.00123  -0.00100   2.64047
   R94        2.68371  -0.00156   0.00153  -0.00276  -0.00124   2.68247
   R95        2.64149  -0.00092   0.00031  -0.00128  -0.00097   2.64052
   R96        2.73953  -0.00055   0.00196  -0.00098   0.00098   2.74051
   R97        2.64498  -0.00019  -0.00076  -0.00014  -0.00090   2.64407
   R98        2.68354  -0.00155   0.00144  -0.00271  -0.00128   2.68226
   R99        2.64507  -0.00020  -0.00072  -0.00017  -0.00089   2.64418
   R100       2.64139  -0.00089   0.00028  -0.00121  -0.00094   2.64046
   R101       2.63072  -0.00020   0.00037  -0.00056  -0.00019   2.63052
   R102       2.05282  -0.00004   0.00016   0.00005   0.00021   2.05304
   R103       2.65683  -0.00070  -0.00029  -0.00139  -0.00169   2.65515
   R104       2.05130   0.00001  -0.00007   0.00011   0.00004   2.05134
   R105       2.63323  -0.00020   0.00072  -0.00012   0.00059   2.63382
   R106       2.05271  -0.00012   0.00042  -0.00010   0.00032   2.05303
   R107       2.04930   0.00018  -0.00039  -0.00006  -0.00045   2.04885
   R108       2.63309  -0.00021   0.00070  -0.00013   0.00057   2.63366
   R109       2.04924   0.00018  -0.00036  -0.00008  -0.00044   2.04880
   R110       2.65697  -0.00069  -0.00028  -0.00138  -0.00165   2.65532
   R111       2.05260  -0.00013   0.00042  -0.00013   0.00028   2.05289
   R112       2.63049  -0.00020   0.00034  -0.00057  -0.00022   2.63026
   R113       2.05130   0.00000  -0.00007   0.00010   0.00003   2.05133
   R114       2.05282  -0.00004   0.00016   0.00007   0.00023   2.05305
   R115       2.63064  -0.00020   0.00036  -0.00058  -0.00022   2.63041
   R116       2.05281  -0.00004   0.00016   0.00007   0.00023   2.05304
   R117       2.65697  -0.00068  -0.00029  -0.00136  -0.00164   2.65533
   R118       2.05129   0.00000  -0.00008   0.00011   0.00004   2.05133
   R119       2.63312  -0.00019   0.00069  -0.00009   0.00059   2.63371
   R120       2.05269  -0.00012   0.00042  -0.00011   0.00030   2.05300
   R121       2.04937   0.00018  -0.00035  -0.00009  -0.00045   2.04892
   R122       2.63317  -0.00020   0.00070  -0.00012   0.00058   2.63375
   R123       2.04936   0.00019  -0.00038  -0.00003  -0.00041   2.04896
   R124       2.65695  -0.00068  -0.00029  -0.00135  -0.00164   2.65532
   R125       2.05269  -0.00012   0.00042  -0.00011   0.00031   2.05299
   R126       2.63067  -0.00021   0.00037  -0.00059  -0.00021   2.63046
   R127       2.05127   0.00001  -0.00008   0.00011   0.00004   2.05131
   R128       2.05281  -0.00004   0.00016   0.00007   0.00023   2.05304
   R129       2.63059  -0.00022   0.00033  -0.00060  -0.00027   2.63032
   R130       2.05279  -0.00004   0.00015   0.00007   0.00022   2.05301
   R131       2.65683  -0.00070  -0.00029  -0.00140  -0.00168   2.65515
   R132       2.05126   0.00000  -0.00008   0.00011   0.00003   2.05129
   R133       2.63319  -0.00020   0.00068  -0.00012   0.00057   2.63376
   R134       2.05261  -0.00013   0.00041  -0.00013   0.00028   2.05289
   R135       2.04924   0.00018  -0.00040  -0.00008  -0.00048   2.04876
   R136       2.63322  -0.00019   0.00068  -0.00010   0.00059   2.63381
   R137       2.04931   0.00017  -0.00038  -0.00010  -0.00048   2.04883
   R138       2.65677  -0.00070  -0.00031  -0.00138  -0.00170   2.65508
   R139       2.05266  -0.00013   0.00042  -0.00012   0.00031   2.05297
   R140       2.63069  -0.00022   0.00036  -0.00060  -0.00024   2.63045
   R141       2.05129   0.00000  -0.00008   0.00011   0.00003   2.05132
   R142       2.05278  -0.00004   0.00015   0.00007   0.00022   2.05301
   R143       3.31450   0.00028   0.02906   0.00926   0.04054   3.35504
    A1        2.06465   0.00013   0.00112   0.00013   0.00125   2.06590
    A2        2.10736   0.00021  -0.00106   0.00107   0.00000   2.10737
    A3        2.11117  -0.00034  -0.00006  -0.00119  -0.00125   2.10992
    A4        2.13729   0.00012  -0.00071   0.00059  -0.00017   2.13711
    A5        2.05336  -0.00004  -0.00083  -0.00005  -0.00088   2.05249
    A6        2.09217  -0.00008   0.00174  -0.00063   0.00112   2.09330
    A7        2.05896  -0.00023  -0.00042  -0.00081  -0.00118   2.05778
    A8        2.13527   0.00040   0.00043   0.00011   0.00072   2.13599
    A9        2.08895  -0.00018  -0.00002   0.00068   0.00041   2.08937
   A10        2.09095   0.00004   0.00077  -0.00017   0.00057   2.09153
   A11        2.09954  -0.00019  -0.00017   0.00022  -0.00017   2.09936
   A12        2.09261   0.00015  -0.00040   0.00000  -0.00031   2.09230
   A13        2.11140  -0.00011   0.00013  -0.00003   0.00007   2.11147
   A14        2.06276   0.00016  -0.00228  -0.00083  -0.00310   2.05966
   A15        2.10901  -0.00005   0.00214   0.00085   0.00300   2.11201
   A16        2.10291   0.00004  -0.00080   0.00036  -0.00042   2.10249
   A17        2.08847   0.00012  -0.00281   0.00008  -0.00274   2.08573
   A18        2.09161  -0.00016   0.00366  -0.00050   0.00315   2.09476
   A19        2.10658  -0.00038   0.00113  -0.00196  -0.00111   2.10547
   A20        2.11317   0.00141  -0.00292   0.00861   0.00597   2.11913
   A21        2.06328  -0.00103   0.00188  -0.00656  -0.00474   2.05854
   A22        2.08417  -0.00024   0.00045  -0.00238  -0.00221   2.08196
   A23        2.07319   0.00225  -0.00316   0.01217   0.00900   2.08219
   A24        2.12583  -0.00201   0.00273  -0.00979  -0.00680   2.11903
   A25        2.09498   0.00203  -0.00311   0.01074   0.00683   2.10181
   A26        2.13399  -0.00218   0.00059  -0.01210  -0.01193   2.12206
   A27        2.05418   0.00015   0.00261   0.00143   0.00502   2.05920
   A28        2.09170  -0.00103   0.00340  -0.00693  -0.00368   2.08802
   A29        2.05928   0.00209  -0.00493   0.01430   0.00951   2.06878
   A30        2.13220  -0.00107   0.00164  -0.00737  -0.00586   2.12635
   A31        2.14375  -0.00013  -0.00073  -0.00065  -0.00155   2.14220
   A32        2.08655  -0.00015   0.00118  -0.00159  -0.00034   2.08621
   A33        2.05238   0.00028  -0.00027   0.00219   0.00198   2.05436
   A34        2.05873   0.00052   0.00011   0.00309   0.00315   2.06188
   A35        2.10993  -0.00007   0.00047  -0.00041   0.00008   2.11001
   A36        2.11453  -0.00046  -0.00056  -0.00269  -0.00323   2.11130
   A37        2.10758   0.00016  -0.00135   0.00095  -0.00041   2.10717
   A38        2.09407   0.00036  -0.00364   0.00183  -0.00181   2.09226
   A39        2.08128  -0.00052   0.00505  -0.00277   0.00228   2.08357
   A40        2.11978  -0.00177   0.00353  -0.00893  -0.00569   2.11410
   A41        2.10475   0.00019   0.00042  -0.00138  -0.00113   2.10361
   A42        2.05810   0.00161  -0.00413   0.01139   0.00709   2.06519
   A43        2.12079   0.00112  -0.00253   0.00833   0.00295   2.12374
   A44        2.18271  -0.00128   0.01436  -0.01526  -0.00191   2.18080
   A45        2.27662  -0.00238   0.02867  -0.01877   0.00602   2.28265
   A46        1.97418   0.00001   0.00147   0.00190   0.00151   1.97570
   A47        1.86615   0.00149  -0.00408   0.01220   0.00464   1.87079
   A48        2.07007  -0.00123   0.00055  -0.00847  -0.00685   2.06322
   A49        2.12789  -0.00050   0.00213  -0.00030   0.00103   2.12892
   A50        2.08513   0.00173  -0.00273   0.00885   0.00582   2.09095
   A51        2.11035   0.00003   0.00112   0.00122   0.00243   2.11278
   A52        2.08682  -0.00065   0.00099  -0.00451  -0.00343   2.08339
   A53        2.08601   0.00062  -0.00210   0.00327   0.00092   2.08693
   A54        2.07758   0.00102  -0.00348   0.00597   0.00181   2.07939
   A55        2.07889  -0.00092   0.00160  -0.00508  -0.00338   2.07551
   A56        2.07893  -0.00011   0.00005  -0.00160  -0.00180   2.07713
   A57        2.12535   0.00103  -0.00139   0.00675   0.00511   2.13046
   A58        2.14222  -0.00036  -0.00083  -0.00099  -0.00178   2.14044
   A59        2.06469   0.00037   0.00609   0.00242   0.00847   2.07316
   A60        2.07568  -0.00001  -0.00542  -0.00118  -0.00663   2.06905
   A61        2.05898   0.00062   0.00235   0.00316   0.00545   2.06442
   A62        2.10392  -0.00049  -0.00231  -0.00237  -0.00465   2.09928
   A63        2.12027  -0.00012  -0.00004  -0.00078  -0.00079   2.11948
   A64        2.11409  -0.00041  -0.00148  -0.00121  -0.00266   2.11143
   A65        2.04029   0.00029   0.00500   0.00060   0.00559   2.04589
   A66        2.12843   0.00012  -0.00359   0.00060  -0.00301   2.12542
   A67        2.11214  -0.00051   0.00097  -0.00179  -0.00082   2.11132
   A68        2.11463  -0.00006   0.00045  -0.00012   0.00033   2.11496
   A69        2.05642   0.00057  -0.00142   0.00190   0.00049   2.05691
   A70        2.11114  -0.00061  -0.00015  -0.00209  -0.00225   2.10889
   A71        2.11498  -0.00002   0.00163  -0.00009   0.00154   2.11652
   A72        2.05706   0.00063  -0.00148   0.00218   0.00071   2.05777
   A73        2.11731  -0.00079  -0.00174  -0.00251  -0.00426   2.11305
   A74        2.11498  -0.00038   0.00079  -0.00169  -0.00091   2.11407
   A75        2.05090   0.00117   0.00095   0.00420   0.00516   2.05606
   A76        2.11590  -0.00048   0.00128  -0.00145  -0.00016   2.11574
   A77        2.08654   0.00029  -0.00260   0.00077  -0.00184   2.08470
   A78        2.08012   0.00018   0.00148   0.00056   0.00203   2.08215
   A79        2.09784  -0.00013  -0.00041  -0.00063  -0.00106   2.09678
   A80        2.09889   0.00042  -0.00074   0.00299   0.00222   2.10111
   A81        2.08627  -0.00029   0.00106  -0.00229  -0.00126   2.08502
   A82        2.08166   0.00061  -0.00027   0.00194   0.00168   2.08334
   A83        2.10132  -0.00031   0.00015  -0.00102  -0.00088   2.10045
   A84        2.10020  -0.00030   0.00011  -0.00091  -0.00081   2.09940
   A85        2.09782  -0.00029  -0.00008  -0.00117  -0.00125   2.09657
   A86        2.08583  -0.00027   0.00106  -0.00232  -0.00129   2.08454
   A87        2.09928   0.00056  -0.00110   0.00356   0.00243   2.10172
   A88        2.11599  -0.00034   0.00098  -0.00093   0.00004   2.11604
   A89        2.08643   0.00026  -0.00184   0.00058  -0.00127   2.08515
   A90        2.07995   0.00008   0.00107   0.00024   0.00130   2.08125
   A91        2.11632  -0.00039   0.00113  -0.00109   0.00003   2.11636
   A92        2.08597   0.00026  -0.00236   0.00057  -0.00179   2.08418
   A93        2.08023   0.00013   0.00138   0.00043   0.00181   2.08204
   A94        2.09785  -0.00017  -0.00032  -0.00076  -0.00110   2.09675
   A95        2.09936   0.00049  -0.00088   0.00331   0.00240   2.10176
   A96        2.08578  -0.00031   0.00111  -0.00248  -0.00139   2.08439
   A97        2.08145   0.00060  -0.00022   0.00184   0.00163   2.08308
   A98        2.10105  -0.00032   0.00022  -0.00100  -0.00078   2.10028
   A99        2.10068  -0.00028  -0.00000  -0.00084  -0.00085   2.09983
   A100       2.09791  -0.00025  -0.00011  -0.00103  -0.00115   2.09677
   A101       2.08572  -0.00029   0.00107  -0.00242  -0.00138   2.08434
   A102       2.09930   0.00054  -0.00108   0.00353   0.00242   2.10172
   A103       2.11635  -0.00037   0.00097  -0.00091   0.00006   2.11641
   A104       2.08553   0.00029  -0.00209   0.00063  -0.00147   2.08406
   A105       2.08057   0.00008   0.00129   0.00017   0.00146   2.08203
   A106       2.11907  -0.00068  -0.00012  -0.00239  -0.00251   2.11657
   A107       2.09412  -0.00001  -0.00447  -0.00105  -0.00552   2.08859
   A108       2.06871   0.00069   0.00443   0.00366   0.00808   2.07679
   A109       2.09930  -0.00029  -0.00055  -0.00118  -0.00175   2.09755
   A110       2.09612   0.00063  -0.00073   0.00407   0.00331   2.09942
   A111       2.08754  -0.00033   0.00116  -0.00278  -0.00165   2.08589
   A112       2.07829   0.00082   0.00043   0.00293   0.00338   2.08167
   A113       2.10314  -0.00042  -0.00026  -0.00142  -0.00169   2.10145
   A114       2.10175  -0.00040  -0.00017  -0.00151  -0.00169   2.10007
   A115       2.09933  -0.00038  -0.00029  -0.00149  -0.00180   2.09753
   A116       2.08674  -0.00031   0.00120  -0.00276  -0.00160   2.08514
   A117       2.09680   0.00070  -0.00107   0.00440   0.00329   2.10009
   A118       2.11942  -0.00065  -0.00039  -0.00213  -0.00252   2.11690
   A119       2.09054  -0.00002  -0.00353  -0.00133  -0.00486   2.08568
   A120       2.07199   0.00067   0.00375   0.00370   0.00744   2.07944
   A121       2.19422   0.00002   0.00008   0.00079   0.00086   2.19509
   A122       2.19437   0.00007   0.00027   0.00092   0.00119   2.19556
   A123       1.89459  -0.00010  -0.00035  -0.00171  -0.00205   1.89253
   A124       2.19437   0.00007   0.00025   0.00088   0.00113   2.19550
   A125       2.19432   0.00005   0.00014   0.00082   0.00096   2.19528
   A126       1.89448  -0.00012  -0.00039  -0.00170  -0.00209   1.89239
   A127       2.19409   0.00004   0.00026   0.00076   0.00101   2.19510
   A128       2.19452   0.00011   0.00010   0.00109   0.00119   2.19571
   A129       1.89457  -0.00015  -0.00036  -0.00185  -0.00221   1.89237
   A130       1.90047  -0.00005  -0.00003   0.00031   0.00027   1.90074
   A131       2.26054  -0.00071   0.00171  -0.00275  -0.00105   2.25949
   A132       2.12205   0.00076  -0.00173   0.00239   0.00064   2.12269
   A133       1.86466   0.00011   0.00023   0.00054   0.00077   1.86543
   A134       2.08629  -0.00046   0.00159  -0.00194  -0.00039   2.08591
   A135       2.33222   0.00034  -0.00176   0.00140  -0.00037   2.33185
   A136       1.86454   0.00012   0.00020   0.00055   0.00075   1.86529
   A137       2.33236   0.00035  -0.00176   0.00144  -0.00034   2.33202
   A138       2.08627  -0.00047   0.00162  -0.00199  -0.00040   2.08587
   A139       1.90063  -0.00005  -0.00002   0.00031   0.00029   1.90092
   A140       2.26082  -0.00071   0.00175  -0.00279  -0.00105   2.25976
   A141       2.12160   0.00076  -0.00177   0.00241   0.00061   2.12222
   A142       1.90068  -0.00005  -0.00006   0.00037   0.00031   1.90099
   A143       2.26033  -0.00072   0.00168  -0.00279  -0.00112   2.25921
   A144       2.12207   0.00077  -0.00167   0.00237   0.00068   2.12274
   A145       1.86442   0.00010   0.00023   0.00049   0.00072   1.86514
   A146       2.08602  -0.00046   0.00155  -0.00193  -0.00041   2.08560
   A147       2.33274   0.00037  -0.00172   0.00144  -0.00030   2.33244
   A148       1.86446   0.00010   0.00024   0.00049   0.00073   1.86519
   A149       2.33266   0.00036  -0.00174   0.00143  -0.00033   2.33234
   A150       2.08605  -0.00046   0.00157  -0.00193  -0.00039   2.08566
   A151       1.90063  -0.00005  -0.00006   0.00036   0.00029   1.90092
   A152       2.26030  -0.00071   0.00171  -0.00276  -0.00105   2.25925
   A153       2.12214   0.00077  -0.00169   0.00234   0.00063   2.12277
   A154       1.90034  -0.00004  -0.00007   0.00043   0.00036   1.90070
   A155       2.26070  -0.00071   0.00185  -0.00278  -0.00094   2.25975
   A156       2.12200   0.00075  -0.00183   0.00229   0.00043   2.12244
   A157       1.86477   0.00012   0.00024   0.00051   0.00075   1.86552
   A158       2.08616  -0.00045   0.00162  -0.00185  -0.00026   2.08589
   A159       2.33225   0.00032  -0.00180   0.00134  -0.00047   2.33177
   A160       1.86481   0.00013   0.00025   0.00053   0.00078   1.86559
   A161       2.33217   0.00032  -0.00178   0.00129  -0.00051   2.33166
   A162       2.08620  -0.00044   0.00160  -0.00183  -0.00026   2.08594
   A163       1.90028  -0.00006  -0.00006   0.00038   0.00032   1.90060
   A164       2.26064  -0.00068   0.00175  -0.00265  -0.00090   2.25973
   A165       2.12213   0.00073  -0.00174   0.00220   0.00043   2.12256
   A166       2.07988  -0.00000   0.00006   0.00027   0.00032   2.08019
   A167       2.09887   0.00016  -0.00183   0.00067  -0.00116   2.09771
   A168       2.10444  -0.00016   0.00177  -0.00094   0.00084   2.10528
   A169       2.10350   0.00022  -0.00142   0.00122  -0.00021   2.10328
   A170       2.09266  -0.00013   0.00131  -0.00070   0.00061   2.09327
   A171       2.08700  -0.00009   0.00009  -0.00050  -0.00040   2.08660
   A172       2.12141  -0.00046   0.00176  -0.00160   0.00015   2.12157
   A173       2.08568   0.00001   0.00098  -0.00054   0.00044   2.08612
   A174       2.07609   0.00045  -0.00273   0.00214  -0.00060   2.07550
   A175       2.05365  -0.00005  -0.00026  -0.00032  -0.00060   2.05305
   A176       2.11933  -0.00036   0.00192  -0.00261  -0.00070   2.11863
   A177       2.11017   0.00041  -0.00168   0.00295   0.00127   2.11143
   A178       2.05313  -0.00005  -0.00028  -0.00034  -0.00064   2.05249
   A179       2.12031  -0.00036   0.00197  -0.00259  -0.00064   2.11967
   A180       2.10971   0.00041  -0.00170   0.00296   0.00124   2.11095
   A181       2.12165  -0.00046   0.00175  -0.00157   0.00017   2.12182
   A182       2.07567   0.00045  -0.00271   0.00210  -0.00062   2.07505
   A183       2.08587   0.00001   0.00097  -0.00052   0.00045   2.08632
   A184       2.10361   0.00022  -0.00142   0.00123  -0.00021   2.10341
   A185       2.08689  -0.00009   0.00008  -0.00049  -0.00040   2.08649
   A186       2.09265  -0.00013   0.00132  -0.00071   0.00061   2.09326
   A187       2.07958  -0.00001   0.00007   0.00023   0.00029   2.07987
   A188       2.09898   0.00017  -0.00186   0.00071  -0.00114   2.09784
   A189       2.10463  -0.00015   0.00179  -0.00094   0.00085   2.10548
   A190       2.07972  -0.00001   0.00006   0.00026   0.00031   2.08003
   A191       2.09901   0.00016  -0.00184   0.00070  -0.00114   2.09786
   A192       2.10446  -0.00016   0.00179  -0.00096   0.00083   2.10529
   A193       2.10366   0.00022  -0.00141   0.00119  -0.00023   2.10343
   A194       2.09255  -0.00013   0.00131  -0.00068   0.00062   2.09318
   A195       2.08695  -0.00009   0.00009  -0.00048  -0.00039   2.08656
   A196       2.12154  -0.00046   0.00176  -0.00156   0.00020   2.12173
   A197       2.08572   0.00000   0.00100  -0.00060   0.00040   2.08611
   A198       2.07593   0.00046  -0.00275   0.00216  -0.00059   2.07534
   A199       2.05321  -0.00005  -0.00031  -0.00031  -0.00064   2.05257
   A200       2.11960  -0.00037   0.00199  -0.00266  -0.00069   2.11891
   A201       2.11034   0.00042  -0.00169   0.00300   0.00129   2.11163
   A202       2.05338  -0.00006  -0.00030  -0.00034  -0.00067   2.05271
   A203       2.11935  -0.00036   0.00193  -0.00267  -0.00076   2.11860
   A204       2.11041   0.00042  -0.00164   0.00304   0.00139   2.11180
   A205       2.12140  -0.00046   0.00173  -0.00154   0.00019   2.12159
   A206       2.07614   0.00045  -0.00272   0.00213  -0.00058   2.07556
   A207       2.08564   0.00000   0.00099  -0.00059   0.00039   2.08604
   A208       2.10365   0.00022  -0.00140   0.00121  -0.00021   2.10344
   A209       2.08690  -0.00009   0.00008  -0.00048  -0.00040   2.08650
   A210       2.09260  -0.00013   0.00131  -0.00070   0.00061   2.09321
   A211       2.07980  -0.00001   0.00007   0.00024   0.00030   2.08010
   A212       2.09895   0.00017  -0.00187   0.00072  -0.00114   2.09781
   A213       2.10443  -0.00016   0.00180  -0.00096   0.00084   2.10527
   A214       2.07963  -0.00001   0.00006   0.00025   0.00030   2.07993
   A215       2.09898   0.00016  -0.00185   0.00069  -0.00115   2.09783
   A216       2.10457  -0.00016   0.00179  -0.00095   0.00085   2.10541
   A217       2.10365   0.00021  -0.00141   0.00114  -0.00028   2.10337
   A218       2.09260  -0.00013   0.00133  -0.00067   0.00066   2.09326
   A219       2.08691  -0.00009   0.00007  -0.00045  -0.00038   2.08653
   A220       2.12152  -0.00045   0.00174  -0.00153   0.00021   2.12173
   A221       2.08585   0.00001   0.00098  -0.00054   0.00043   2.08629
   A222       2.07581   0.00044  -0.00271   0.00207  -0.00064   2.07517
   A223       2.05318  -0.00004  -0.00027  -0.00025  -0.00055   2.05264
   A224       2.12021  -0.00034   0.00198  -0.00250  -0.00054   2.11968
   A225       2.10975   0.00039  -0.00172   0.00278   0.00104   2.11079
   A226       2.05331  -0.00005  -0.00021  -0.00030  -0.00053   2.05278
   A227       2.12004  -0.00036   0.00196  -0.00261  -0.00066   2.11937
   A228       2.10980   0.00041  -0.00176   0.00293   0.00116   2.11095
   A229       2.12148  -0.00046   0.00175  -0.00154   0.00021   2.12169
   A230       2.07587   0.00045  -0.00273   0.00212  -0.00061   2.07525
   A231       2.08583   0.00001   0.00099  -0.00058   0.00041   2.08624
   A232       2.10359   0.00022  -0.00146   0.00118  -0.00029   2.10330
   A233       2.08702  -0.00009   0.00013  -0.00049  -0.00036   2.08666
   A234       2.09255  -0.00012   0.00132  -0.00067   0.00065   2.09319
   A235       2.07977  -0.00001   0.00011   0.00021   0.00031   2.08008
   A236       2.09891   0.00017  -0.00188   0.00074  -0.00114   2.09776
   A237       2.10451  -0.00015   0.00177  -0.00095   0.00083   2.10534
    D1       -0.00582   0.00000   0.00036   0.00024   0.00060  -0.00523
    D2        3.10675  -0.00009   0.00692  -0.00327   0.00362   3.11037
    D3        3.13770   0.00002  -0.00042   0.00095   0.00054   3.13824
    D4       -0.03291  -0.00008   0.00614  -0.00256   0.00356  -0.02935
    D5       -0.00841   0.00007   0.00211   0.00216   0.00429  -0.00412
    D6        3.11210  -0.00003   0.00460  -0.00117   0.00344   3.11554
    D7        3.13125   0.00005   0.00289   0.00145   0.00435   3.13559
    D8       -0.03143  -0.00005   0.00538  -0.00188   0.00350  -0.02793
    D9        2.47667   0.00008  -0.02484   0.01333  -0.01152   2.46516
   D10       -0.66643   0.00008  -0.02533   0.01336  -0.01197  -0.67840
   D11       -0.66293   0.00010  -0.02564   0.01406  -0.01158  -0.67451
   D12        2.47715   0.00010  -0.02613   0.01409  -0.01203   2.46511
   D13        0.01999  -0.00011  -0.00328  -0.00315  -0.00643   0.01356
   D14       -3.12498  -0.00022  -0.00626  -0.00699  -0.01332  -3.13830
   D15       -3.09196  -0.00001  -0.00991   0.00043  -0.00949  -3.10145
   D16        0.04626  -0.00012  -0.01290  -0.00342  -0.01637   0.02988
   D17       -0.02020   0.00014   0.00373   0.00371   0.00748  -0.01273
   D18        3.10712   0.00025   0.01360   0.00764   0.02125   3.12837
   D19        3.12467   0.00025   0.00663   0.00744   0.01417   3.13884
   D20       -0.03119   0.00036   0.01650   0.01137   0.02794  -0.00324
   D21       -3.12395  -0.00002  -0.00547  -0.00036  -0.00577  -3.12972
   D22        0.03707  -0.00015  -0.00956  -0.00594  -0.01549   0.02158
   D23        0.01421  -0.00014  -0.00850  -0.00427  -0.01277   0.00144
   D24       -3.10796  -0.00027  -0.01259  -0.00985  -0.02250  -3.13045
   D25        0.00681  -0.00006  -0.00140  -0.00142  -0.00286   0.00395
   D26       -3.12773  -0.00001   0.00041  -0.00038  -0.00000  -3.12773
   D27       -3.12057  -0.00017  -0.01123  -0.00534  -0.01658  -3.13715
   D28        0.02808  -0.00013  -0.00943  -0.00430  -0.01372   0.01435
   D29        0.02355  -0.00021   0.00147  -0.00736  -0.00584   0.01771
   D30       -3.11583  -0.00016  -0.00909  -0.00780  -0.01659  -3.13242
   D31       -3.13232  -0.00009   0.01136  -0.00342   0.00795  -3.12437
   D32        0.01148  -0.00005   0.00081  -0.00386  -0.00280   0.00868
   D33        0.00786  -0.00004  -0.00160  -0.00158  -0.00317   0.00470
   D34       -3.11260   0.00006  -0.00400   0.00175  -0.00224  -3.11485
   D35       -3.14097  -0.00009  -0.00347  -0.00265  -0.00613   3.13608
   D36        0.02175   0.00001  -0.00587   0.00067  -0.00521   0.01654
   D37        0.01063  -0.00024  -0.01754  -0.00698  -0.02453  -0.01391
   D38       -3.12983  -0.00022  -0.02094  -0.00710  -0.02805   3.12531
   D39        3.13334  -0.00008  -0.01363  -0.00139  -0.01502   3.11832
   D40       -0.00712  -0.00006  -0.01703  -0.00151  -0.01854  -0.02565
   D41        3.13434  -0.00002   0.00873   0.00134   0.01008  -3.13877
   D42        0.02798   0.00006   0.00335   0.00319   0.00654   0.03452
   D43        0.01170  -0.00016   0.00474  -0.00415   0.00057   0.01227
   D44       -3.09465  -0.00008  -0.00064  -0.00230  -0.00297  -3.09762
   D45       -0.01827   0.00037   0.03568   0.01093   0.04678   0.02852
   D46        3.13243   0.00012   0.05283   0.00173   0.05451  -3.09625
   D47        3.12215   0.00035   0.03917   0.01108   0.05039  -3.11065
   D48       -0.01034   0.00010   0.05632   0.00188   0.05811   0.04777
   D49       -0.00198   0.00028   0.01494   0.00770   0.02263   0.02066
   D50       -3.10717  -0.00089   0.04006  -0.02798   0.01216  -3.09501
   D51        3.14078   0.00030   0.01146   0.00757   0.01904  -3.12336
   D52        0.03559  -0.00087   0.03658  -0.02811   0.00856   0.04416
   D53        0.00151  -0.00016  -0.02782  -0.00391  -0.03191  -0.03041
   D54        3.14080  -0.00020  -0.01688  -0.00343  -0.02078   3.12002
   D55        3.13441   0.00007  -0.04417   0.00480  -0.03945   3.09496
   D56       -0.00949   0.00003  -0.03324   0.00528  -0.02832  -0.03781
   D57       -3.10498  -0.00029   0.02358  -0.01335   0.01047  -3.09451
   D58        0.15703   0.00134  -0.06310   0.04141  -0.02185   0.13519
   D59        0.27736  -0.00190  -0.06944  -0.02594  -0.09677   0.18059
   D60        0.04552  -0.00055   0.04028  -0.02239   0.01800   0.06352
   D61       -2.97566   0.00108  -0.04639   0.03237  -0.01432  -2.98998
   D62       -2.85533  -0.00216  -0.05274  -0.03498  -0.08924  -2.94457
   D63        3.11285   0.00031   0.01973   0.00924   0.02873   3.14158
   D64       -0.02647   0.00035   0.00889   0.00879   0.01773  -0.00874
   D65       -0.00681   0.00014   0.00996   0.00362   0.01356   0.00675
   D66        3.13877   0.00013   0.00753   0.00302   0.01055  -3.13387
   D67        3.10020   0.00005   0.01528   0.00173   0.01700   3.11719
   D68       -0.03741   0.00004   0.01285   0.00114   0.01398  -0.02343
   D69       -0.00274   0.00007  -0.01239   0.00260  -0.00977  -0.01251
   D70        3.11463   0.00009  -0.00970   0.00298  -0.00669   3.10794
   D71        3.13486   0.00009  -0.00995   0.00320  -0.00675   3.12811
   D72       -0.03095   0.00011  -0.00726   0.00358  -0.00367  -0.03462
   D73        2.49491   0.00013  -0.02253   0.01515  -0.00740   2.48751
   D74       -0.64939   0.00014  -0.02180   0.01557  -0.00624  -0.65563
   D75       -0.64258   0.00011  -0.02504   0.01452  -0.01051  -0.65309
   D76        2.49631   0.00012  -0.02431   0.01494  -0.00936   2.48696
   D77        0.00706  -0.00029   0.00007  -0.00834  -0.00825  -0.00118
   D78        3.11320   0.00083  -0.02444   0.02618   0.00184   3.11504
   D79       -3.11049  -0.00033  -0.00246  -0.00878  -0.01126  -3.12174
   D80       -0.00436   0.00079  -0.02697   0.02574  -0.00116  -0.00552
   D81       -0.04478   0.00072  -0.02419   0.02533   0.00141  -0.04337
   D82        3.08179   0.00093  -0.02949   0.03117   0.00214   3.08393
   D83        2.98970  -0.00082   0.05496  -0.02457   0.02998   3.01968
   D84       -0.16692  -0.00062   0.04965  -0.01873   0.03071  -0.13620
   D85        2.90598   0.00151   0.05673   0.03143   0.08655   2.99253
   D86       -0.25063   0.00171   0.05143   0.03727   0.08728  -0.16335
   D87        0.00733  -0.00033  -0.00163  -0.01072  -0.01261  -0.00528
   D88       -3.13117  -0.00013   0.00415  -0.00573  -0.00156  -3.13273
   D89       -3.11962  -0.00051   0.00353  -0.01635  -0.01328  -3.13290
   D90        0.02506  -0.00031   0.00931  -0.01136  -0.00223   0.02283
   D91        3.14080   0.00011  -0.00130   0.00414   0.00281  -3.13958
   D92       -0.00641   0.00039  -0.02215   0.01692  -0.00532  -0.01173
   D93       -0.01594   0.00029  -0.00664   0.00989   0.00345  -0.01249
   D94        3.12004   0.00057  -0.02749   0.02267  -0.00469   3.11535
   D95        0.02733  -0.00019   0.00849  -0.00594   0.00268   0.03001
   D96       -3.11735  -0.00039   0.00270  -0.01095  -0.00840  -3.12575
   D97       -0.01731   0.00016  -0.00318   0.00547   0.00232  -0.01499
   D98        3.09568   0.00011  -0.00584   0.00508  -0.00082   3.09486
   D99        3.12733   0.00035   0.00254   0.01040   0.01320   3.14053
   D100      -0.04287   0.00031  -0.00013   0.01000   0.01006  -0.03281
   D101      -0.00113  -0.00011  -0.00214  -0.00259  -0.00476  -0.00589
   D102       3.10294   0.00008  -0.00813   0.00538  -0.00281   3.10013
   D103      -3.13695  -0.00040   0.01932  -0.01569   0.00366  -3.13330
   D104      -0.03288  -0.00021   0.01333  -0.00772   0.00561  -0.02727
   D105       0.00903  -0.00008   0.00819  -0.00345   0.00472   0.01375
   D106      -3.13747   0.00004   0.00614   0.00037   0.00652  -3.13094
   D107      -3.09482  -0.00027   0.01405  -0.01154   0.00246  -3.09236
   D108       0.04187  -0.00016   0.01199  -0.00772   0.00427   0.04614
   D109       0.00049   0.00005  -0.00533   0.00194  -0.00335  -0.00286
   D110      -3.11104   0.00010  -0.00266   0.00236  -0.00021  -3.11125
   D111      -3.13615  -0.00006  -0.00326  -0.00191  -0.00516  -3.14132
   D112       0.03550  -0.00002  -0.00058  -0.00149  -0.00202   0.03348
   D113       0.52824   0.00060   0.08162   0.00732   0.08891   0.61716
   D114      -2.61657   0.00060   0.08054   0.00739   0.08790  -2.52867
   D115      -2.61843   0.00072   0.07949   0.01128   0.09079  -2.52764
   D116       0.51994   0.00072   0.07841   0.01135   0.08978   0.60972
   D117      -3.13469   0.00009  -0.00115   0.00248   0.00133  -3.13336
   D118      -0.03232  -0.00001   0.00304  -0.00017   0.00286  -0.02946
   D119       0.00837   0.00009  -0.00069   0.00245   0.00177   0.01014
   D120       3.11074  -0.00001   0.00351  -0.00020   0.00330   3.11404
   D121      -3.13859   0.00007  -0.00005   0.00153   0.00148  -3.13711
   D122      -0.03858  -0.00003   0.00428  -0.00142   0.00285  -0.03573
   D123       0.00154   0.00007  -0.00052   0.00155   0.00103   0.00257
   D124       3.10154  -0.00003   0.00381  -0.00139   0.00241   3.10395
   D125      -3.13518   0.00011   0.00000   0.00307   0.00307  -3.13211
   D126      -0.03163  -0.00001   0.00429  -0.00043   0.00386  -0.02777
   D127       0.00903   0.00010  -0.00071   0.00267   0.00196   0.01098
   D128       3.11258  -0.00002   0.00358  -0.00083   0.00274   3.11532
   D129      -3.13620   0.00005  -0.00145   0.00096  -0.00050  -3.13670
   D130      -0.03836  -0.00005   0.00347  -0.00200   0.00146  -0.03689
   D131       0.00277   0.00006  -0.00074   0.00136   0.00062   0.00339
   D132       3.10062  -0.00004   0.00418  -0.00159   0.00258   3.10319
   D133       3.12914  -0.00009  -0.00094  -0.00205  -0.00299   3.12615
   D134       0.04289  -0.00019   0.00272  -0.00710  -0.00439   0.03850
   D135      -0.00934  -0.00008   0.00010  -0.00211  -0.00201  -0.01135
   D136      -3.09560  -0.00019   0.00377  -0.00715  -0.00340  -3.09900
   D137      -3.13895  -0.00007   0.00283  -0.00224   0.00059  -3.13836
   D138       0.05659  -0.00019   0.00673  -0.00767  -0.00095   0.05564
   D139      -0.00047  -0.00008   0.00178  -0.00219  -0.00041  -0.00087
   D140      -3.08811  -0.00019   0.00569  -0.00761  -0.00194  -3.09005
   D141      -0.01272  -0.00017   0.00163  -0.00452  -0.00289  -0.01561
   D142       3.10826   0.00001  -0.00692  -0.00065  -0.00756   3.10070
   D143      -3.11641  -0.00005  -0.00254  -0.00104  -0.00359  -3.11999
   D144       0.00457   0.00013  -0.01109   0.00283  -0.00826  -0.00369
   D145       0.00446   0.00009  -0.00109   0.00231   0.00123   0.00568
   D146      -3.13474   0.00009  -0.00139   0.00234   0.00095  -3.13379
   D147      -3.11667  -0.00010   0.00740  -0.00159   0.00582  -3.11085
   D148       0.02732  -0.00010   0.00710  -0.00156   0.00554   0.03286
   D149       0.00718   0.00007  -0.00037   0.00166   0.00130   0.00847
   D150      -3.11017  -0.00011   0.00784  -0.00189   0.00595  -3.10422
   D151      -3.13681   0.00007  -0.00006   0.00163   0.00157  -3.13524
   D152       0.02902  -0.00011   0.00814  -0.00192   0.00623   0.03525
   D153       1.09673  -0.00101  -0.02992  -0.02294  -0.05286   1.04387
   D154      -2.05163  -0.00099  -0.03010  -0.02222  -0.05233  -2.10396
   D155      -2.04243  -0.00101  -0.03023  -0.02292  -0.05315  -2.09558
   D156       1.09239  -0.00100  -0.03041  -0.02220  -0.05261   1.03978
   D157      -0.01087  -0.00014   0.00129  -0.00352  -0.00223  -0.01310
   D158      -3.10887  -0.00005  -0.00353  -0.00058  -0.00412  -3.11299
   D159       3.10629   0.00003  -0.00697  -0.00002  -0.00698   3.09931
   D160       0.00829   0.00013  -0.01179   0.00292  -0.00887  -0.00058
   D161      -0.01129  -0.00016   0.00117  -0.00412  -0.00295  -0.01424
   D162       3.10882   0.00002  -0.00704  -0.00031  -0.00734   3.10148
   D163      -3.11378  -0.00007  -0.00291  -0.00148  -0.00440  -3.11818
   D164       0.00633   0.00012  -0.01112   0.00233  -0.00879  -0.00247
   D165       0.00413   0.00008  -0.00044   0.00176   0.00132   0.00545
   D166      -3.13576   0.00007  -0.00056   0.00157   0.00101  -3.13474
   D167      -3.11614  -0.00012   0.00771  -0.00210   0.00562  -3.11052
   D168       0.02715  -0.00012   0.00759  -0.00228   0.00531   0.03247
   D169       0.00564   0.00008  -0.00076   0.00220   0.00143   0.00707
   D170      -3.11188  -0.00011   0.00760  -0.00169   0.00591  -3.10597
   D171      -3.13766   0.00009  -0.00064   0.00238   0.00174  -3.13592
   D172       0.02801  -0.00011   0.00772  -0.00151   0.00622   0.03423
   D173      -2.01919  -0.00099  -0.02749  -0.02260  -0.05008  -2.06927
   D174       1.12210  -0.00098  -0.02740  -0.02252  -0.04992   1.07219
   D175       1.12413  -0.00099  -0.02761  -0.02278  -0.05039   1.07374
   D176      -2.01777  -0.00099  -0.02752  -0.02271  -0.05023  -2.06799
   D177      -0.00852  -0.00016   0.00125  -0.00388  -0.00263  -0.01115
   D178      -3.10864  -0.00006  -0.00297  -0.00095  -0.00393  -3.11258
   D179       3.10881   0.00003  -0.00717  -0.00005  -0.00721   3.10160
   D180       0.00869   0.00013  -0.01139   0.00288  -0.00851   0.00017
   D181       0.01201   0.00016  -0.00172   0.00424   0.00253   0.01454
   D182      -3.10631  -0.00007   0.00821  -0.00144   0.00677  -3.09954
   D183       3.09905   0.00024  -0.00557   0.00907   0.00350   3.10255
   D184      -0.01928   0.00001   0.00436   0.00339   0.00774  -0.01154
   D185      -0.00463  -0.00008   0.00143  -0.00208  -0.00065  -0.00528
   D186       3.13427  -0.00007   0.00112  -0.00181  -0.00070   3.13357
   D187       3.11381   0.00016  -0.00845   0.00366  -0.00479   3.10902
   D188      -0.03048   0.00017  -0.00877   0.00393  -0.00484  -0.03532
   D189      -0.00503  -0.00008   0.00043  -0.00216  -0.00173  -0.00676
   D190       3.10930   0.00017  -0.00995   0.00423  -0.00573   3.10357
   D191       3.13926  -0.00009   0.00075  -0.00243  -0.00168   3.13758
   D192      -0.02960   0.00017  -0.00963   0.00395  -0.00568  -0.03528
   D193       2.05797   0.00107   0.03384   0.02418   0.05803   2.11599
   D194      -1.08856   0.00108   0.03350   0.02446   0.05796  -1.03060
   D195      -1.08636   0.00108   0.03352   0.02446   0.05798  -1.02837
   D196       2.05030   0.00109   0.03318   0.02474   0.05792   2.10822
   D197       0.00761   0.00016  -0.00208   0.00434   0.00226   0.00988
   D198       3.09582   0.00025  -0.00613   0.00956   0.00343   3.09924
   D199      -3.10656  -0.00008   0.00835  -0.00197   0.00638  -3.10018
   D200      -0.01836   0.00001   0.00430   0.00325   0.00754  -0.01082
   D201       3.14108  -0.00001  -0.00002  -0.00042  -0.00044   3.14064
   D202       0.01569   0.00001   0.00380   0.00355   0.00735   0.02304
   D203      -0.00025  -0.00001  -0.00010  -0.00048  -0.00058  -0.00083
   D204      -3.12564   0.00000   0.00372   0.00348   0.00720  -3.11844
   D205       3.14131  -0.00001  -0.00031  -0.00013  -0.00044   3.14086
   D206       0.01594   0.00001   0.00342   0.00378   0.00719   0.02313
   D207      -0.00055  -0.00000  -0.00023  -0.00007  -0.00030  -0.00085
   D208      -3.12591   0.00001   0.00350   0.00384   0.00734  -3.11858
   D209       3.13611  -0.00000  -0.00004   0.00002  -0.00002   3.13609
   D210       0.01175   0.00002   0.00361   0.00415   0.00776   0.01951
   D211       0.00031  -0.00002   0.00012  -0.00060  -0.00049  -0.00017
   D212      -3.12405   0.00001   0.00376   0.00354   0.00729  -3.11675
   D213      -3.13699  -0.00002  -0.00021  -0.00059  -0.00080  -3.13780
   D214       0.02234   0.00001   0.00345   0.00378   0.00722   0.02956
   D215      -0.00120  -0.00000  -0.00036   0.00003  -0.00034  -0.00153
   D216      -3.12505   0.00003   0.00330   0.00440   0.00769  -3.11736
   D217       3.13836   0.00001   0.00010   0.00028   0.00038   3.13874
   D218      -0.02150  -0.00002  -0.00370  -0.00396  -0.00765  -0.02915
   D219       0.00099   0.00000   0.00039   0.00004   0.00043   0.00143
   D220       3.12432  -0.00002  -0.00341  -0.00420  -0.00760   3.11671
   D221      -3.13723   0.00001   0.00023   0.00019   0.00042  -3.13681
   D222      -0.01332  -0.00002  -0.00378  -0.00407  -0.00785  -0.02117
   D223       0.00014   0.00001  -0.00006   0.00043   0.00037   0.00051
   D224       3.12405  -0.00002  -0.00407  -0.00383  -0.00790   3.11615
   D225       0.00066   0.00003   0.00017   0.00091   0.00109   0.00175
   D226      -3.13633   0.00004  -0.00545   0.00224  -0.00323  -3.13955
   D227       3.12665  -0.00001  -0.00311  -0.00289  -0.00598   3.12067
   D228      -0.01034   0.00000  -0.00873  -0.00157  -0.01030  -0.02064
   D229       3.13247  -0.00004   0.00217  -0.00346  -0.00129   3.13119
   D230      -0.00004  -0.00016   0.00948  -0.00696   0.00254   0.00250
   D231       0.01002  -0.00001   0.00621   0.00115   0.00736   0.01738
   D232      -3.12250  -0.00013   0.01352  -0.00234   0.01119  -3.11131
   D233      -0.00137  -0.00003  -0.00039  -0.00088  -0.00127  -0.00264
   D234       3.13502  -0.00006   0.00648  -0.00290   0.00356   3.13858
   D235       3.13469  -0.00005   0.00642  -0.00248   0.00392   3.13861
   D236      -0.01211  -0.00008   0.01328  -0.00450   0.00876  -0.00335
   D237       0.00218   0.00002   0.00420   0.00141   0.00562   0.00780
   D238      -3.14021  -0.00002   0.00369  -0.00033   0.00337  -3.13683
   D239      -3.13333   0.00004  -0.00327   0.00317  -0.00009  -3.13342
   D240       0.00747  -0.00000  -0.00377   0.00143  -0.00234   0.00513
   D241       0.00158   0.00002   0.00046   0.00053   0.00100   0.00259
   D242       3.12712  -0.00002  -0.00282  -0.00348  -0.00629   3.12083
   D243      -3.13568   0.00004  -0.00521   0.00220  -0.00302  -3.13870
   D244      -0.01014  -0.00000  -0.00850  -0.00181  -0.01032  -0.02046
   D245      -3.13378   0.00005  -0.00329   0.00367   0.00039  -3.13339
   D246       0.00668   0.00001  -0.00387   0.00175  -0.00212   0.00456
   D247       0.00208   0.00002   0.00425   0.00145   0.00571   0.00779
   D248      -3.14064  -0.00002   0.00367  -0.00047   0.00321  -3.13744
   D249       3.13176  -0.00004   0.00188  -0.00352  -0.00164   3.13012
   D250      -0.00038  -0.00014   0.00847  -0.00611   0.00238   0.00200
   D251       0.00986  -0.00000   0.00593   0.00135   0.00728   0.01714
   D252      -3.12227  -0.00010   0.01253  -0.00124   0.01130  -3.11098
   D253       0.00092   0.00003   0.00037   0.00083   0.00121   0.00213
   D254      -3.13672   0.00004  -0.00523   0.00231  -0.00294  -3.13965
   D255       3.12784  -0.00000  -0.00306  -0.00282  -0.00587   3.12197
   D256      -0.00980   0.00001  -0.00867  -0.00134  -0.01002  -0.01982
   D257       3.13307  -0.00004   0.00188  -0.00350  -0.00161   3.13146
   D258       0.00073  -0.00016   0.00896  -0.00675   0.00222   0.00295
   D259       0.00947  -0.00001   0.00611   0.00093   0.00705   0.01651
   D260      -3.12287  -0.00013   0.01319  -0.00232   0.01088  -3.11199
   D261      -0.00123  -0.00003  -0.00050  -0.00086  -0.00137  -0.00260
   D262       3.13566  -0.00006   0.00644  -0.00277   0.00365   3.13930
   D263       3.13560  -0.00005   0.00629  -0.00265   0.00362   3.13922
   D264      -0.01069  -0.00008   0.01323  -0.00457   0.00864  -0.00206
   D265       0.00205   0.00002   0.00426   0.00132   0.00558   0.00764
   D266      -3.14037  -0.00002   0.00364  -0.00042   0.00322  -3.13715
   D267      -3.13431   0.00004  -0.00319   0.00328   0.00009  -3.13421
   D268       0.00646   0.00000  -0.00382   0.00154  -0.00227   0.00418
   D269       0.00111   0.00002   0.00046   0.00058   0.00104   0.00214
   D270       3.12800  -0.00001  -0.00290  -0.00302  -0.00591   3.12209
   D271      -3.13658   0.00004  -0.00528   0.00216  -0.00313  -3.13971
   D272      -0.00968   0.00001  -0.00863  -0.00144  -0.01008  -0.01976
   D273      -3.13439   0.00005  -0.00339   0.00351   0.00012  -3.13427
   D274       0.00640   0.00000  -0.00395   0.00164  -0.00231   0.00409
   D275       0.00203   0.00002   0.00423   0.00140   0.00564   0.00767
   D276      -3.14037  -0.00002   0.00367  -0.00047   0.00321  -3.13716
   D277       3.13292  -0.00004   0.00197  -0.00341  -0.00143   3.13149
   D278       0.00041  -0.00015   0.00897  -0.00652   0.00247   0.00288
   D279       0.00935  -0.00001   0.00610   0.00095   0.00705   0.01641
   D280      -3.12316  -0.00012   0.01310  -0.00215   0.01096  -3.11220
   D281      -0.00170  -0.00002  -0.00056  -0.00048  -0.00104  -0.00274
   D282       3.13530  -0.00004   0.00515  -0.00213   0.00304   3.13834
   D283      -3.12675   0.00002   0.00285   0.00342   0.00626  -3.12050
   D284       0.01025   0.00000   0.00856   0.00177   0.01034   0.02059
   D285      -3.13129   0.00004  -0.00182   0.00335   0.00152  -3.12977
   D286       0.00035   0.00015  -0.00851   0.00628  -0.00224  -0.00189
   D287      -0.00999   0.00000  -0.00603  -0.00138  -0.00741  -0.01740
   D288       3.12165   0.00011  -0.01271   0.00155  -0.01117   3.11048
   D289       0.00175   0.00003   0.00051   0.00073   0.00125   0.00300
   D290      -3.13443   0.00005  -0.00609   0.00255  -0.00352  -3.13795
   D291      -3.13432   0.00006  -0.00640   0.00273  -0.00366  -3.13798
   D292       0.01268   0.00008  -0.01300   0.00455  -0.00843   0.00426
   D293      -0.00210  -0.00002  -0.00423  -0.00136  -0.00560  -0.00769
   D294       3.14081   0.00002  -0.00368   0.00043  -0.00326   3.13755
   D295       3.13343  -0.00005   0.00335  -0.00355  -0.00020   3.13322
   D296      -0.00686  -0.00001   0.00390  -0.00176   0.00214  -0.00472
   D297      -0.00118  -0.00002  -0.00028  -0.00072  -0.00100  -0.00218
   D298      -3.12676   0.00002   0.00333   0.00320   0.00651  -3.12025
   D299       3.13591  -0.00004   0.00517  -0.00222   0.00296   3.13888
   D300       0.01033  -0.00000   0.00878   0.00169   0.01048   0.02081
   D301       3.13334  -0.00005   0.00294  -0.00328  -0.00035   3.13300
   D302      -0.00725  -0.00001   0.00358  -0.00163   0.00195  -0.00530
   D303      -0.00230  -0.00002  -0.00430  -0.00129  -0.00559  -0.00789
   D304       3.14029   0.00002  -0.00366   0.00036  -0.00330   3.13699
   D305      -3.13185   0.00004  -0.00174   0.00334   0.00160  -3.13025
   D306       0.00043   0.00016  -0.00910   0.00673  -0.00238  -0.00195
   D307      -0.00990  -0.00000  -0.00618  -0.00142  -0.00760  -0.01750
   D308       3.12239   0.00012  -0.01354   0.00197  -0.01158   3.11081
   D309       0.00576  -0.00004   0.00219  -0.00072   0.00147   0.00723
   D310       3.13904   0.00007  -0.00097   0.00260   0.00163   3.14067
   D311      -3.13469   0.00000   0.00277   0.00120   0.00398  -3.13071
   D312      -0.00142   0.00011  -0.00038   0.00453   0.00415   0.00273
   D313      -0.00600   0.00004  -0.00478   0.00028  -0.00450  -0.01050
   D314       3.13302   0.00006  -0.00295   0.00115  -0.00180   3.13122
   D315      -3.13930  -0.00007  -0.00164  -0.00303  -0.00467   3.13921
   D316      -0.00028  -0.00005   0.00019  -0.00217  -0.00197  -0.00225
   D317      -0.00185  -0.00001   0.00068  -0.00057   0.00010  -0.00175
   D318       3.13034   0.00008  -0.00589   0.00197  -0.00391   3.12643
   D319      -3.14088  -0.00003  -0.00116  -0.00142  -0.00258   3.13972
   D320      -0.00869   0.00007  -0.00773   0.00112  -0.00659  -0.01528
   D321      -0.00187  -0.00001   0.00062  -0.00062  -0.00001  -0.00188
   D322      -3.14128  -0.00004  -0.00097  -0.00197  -0.00294   3.13897
   D323       3.13071   0.00010  -0.00666   0.00282  -0.00382   3.12688
   D324      -0.00870   0.00007  -0.00824   0.00147  -0.00676  -0.01546
   D325      -0.00607   0.00005  -0.00499   0.00053  -0.00446  -0.01053
   D326      -3.13966  -0.00007  -0.00170  -0.00330  -0.00500   3.13853
   D327       3.13332   0.00007  -0.00341   0.00190  -0.00151   3.13182
   D328      -0.00026  -0.00005  -0.00011  -0.00194  -0.00205  -0.00231
   D329       0.00580  -0.00005   0.00245  -0.00092   0.00153   0.00733
   D330      -3.13500  -0.00001   0.00296   0.00082   0.00379  -3.13121
   D331       3.13936   0.00007  -0.00086   0.00293   0.00207   3.14142
   D332      -0.00144   0.00012  -0.00035   0.00467   0.00432   0.00288
   D333       0.00549  -0.00005   0.00231  -0.00096   0.00135   0.00684
   D334       3.13901   0.00007  -0.00091   0.00272   0.00181   3.14081
   D335      -3.13529  -0.00000   0.00287   0.00092   0.00379  -3.13150
   D336      -0.00178   0.00011  -0.00034   0.00459   0.00425   0.00247
   D337      -0.00579   0.00005  -0.00487   0.00050  -0.00437  -0.01016
   D338       3.13338   0.00007  -0.00314   0.00162  -0.00151   3.13187
   D339      -3.13933  -0.00007  -0.00166  -0.00316  -0.00483   3.13903
   D340      -0.00016  -0.00005   0.00006  -0.00204  -0.00198  -0.00213
   D341      -0.00166  -0.00001   0.00062  -0.00047   0.00015  -0.00152
   D342       3.13090   0.00010  -0.00635   0.00259  -0.00375   3.12715
   D343      -3.14085  -0.00003  -0.00111  -0.00159  -0.00270   3.13964
   D344      -0.00829   0.00007  -0.00807   0.00147  -0.00659  -0.01488
   D345      -0.00169  -0.00001   0.00064  -0.00053   0.00011  -0.00159
   D346      -3.14102  -0.00003  -0.00108  -0.00158  -0.00266   3.13950
   D347       3.13069   0.00010  -0.00640   0.00267  -0.00372   3.12697
   D348      -0.00864   0.00008  -0.00813   0.00163  -0.00649  -0.01513
   D349      -0.00584   0.00005  -0.00490   0.00057  -0.00434  -0.01018
   D350      -3.13946  -0.00007  -0.00166  -0.00313  -0.00480   3.13893
   D351       3.13347   0.00007  -0.00318   0.00162  -0.00155   3.13193
   D352      -0.00014  -0.00005   0.00006  -0.00207  -0.00201  -0.00215
   D353       0.00555  -0.00005   0.00232  -0.00095   0.00136   0.00691
   D354      -3.13521  -0.00001   0.00294   0.00079   0.00374  -3.13147
   D355       3.13913   0.00007  -0.00093   0.00276   0.00182   3.14096
   D356      -0.00163   0.00011  -0.00031   0.00450   0.00420   0.00257
   D357      -0.00567   0.00004  -0.00237   0.00068  -0.00169  -0.00736
   D358      -3.13925  -0.00007   0.00091  -0.00296  -0.00205  -3.14130
   D359       3.13492   0.00000  -0.00302  -0.00097  -0.00399   3.13093
   D360       0.00134  -0.00011   0.00026  -0.00461  -0.00435  -0.00301
   D361       0.00607  -0.00004   0.00499  -0.00043   0.00456   0.01062
   D362      -3.13339  -0.00007   0.00331  -0.00158   0.00172  -3.13166
   D363       3.13967   0.00007   0.00172   0.00319   0.00492  -3.13859
   D364       0.00022   0.00005   0.00004   0.00205   0.00209   0.00231
   D365       0.00175   0.00002  -0.00067   0.00077   0.00011   0.00186
   D366      -3.13059  -0.00009   0.00666  -0.00257   0.00408  -3.12651
   D367       3.14121   0.00004   0.00102   0.00191   0.00293  -3.13904
   D368       0.00887  -0.00007   0.00834  -0.00143   0.00689   0.01577
   D369       0.00191   0.00001  -0.00062   0.00062   0.00000   0.00191
   D370       3.14066   0.00003   0.00120   0.00163   0.00283  -3.13970
   D371      -3.12980  -0.00009   0.00602  -0.00225   0.00376  -3.12604
   D372       0.00895  -0.00007   0.00785  -0.00125   0.00659   0.01554
   D373       0.00603  -0.00004   0.00480  -0.00028   0.00452   0.01055
   D374       3.13913   0.00007   0.00172   0.00311   0.00483  -3.13922
   D375      -3.13271  -0.00006   0.00298  -0.00130   0.00168  -3.13103
   D376       0.00039   0.00005  -0.00010   0.00210   0.00199   0.00239
   D377      -0.00582   0.00004  -0.00225   0.00065  -0.00160  -0.00742
   D378       3.13446  -0.00000  -0.00280  -0.00115  -0.00395   3.13051
   D379      -3.13889  -0.00007   0.00085  -0.00276  -0.00191  -3.14080
   D380       0.00139  -0.00011   0.00030  -0.00456  -0.00426  -0.00287
         Item               Value     Threshold  Converged?
 Maximum Force            0.003304     0.000450     NO 
 RMS     Force            0.000521     0.000300     NO 
 Maximum Displacement     1.259924     0.001800     NO 
 RMS     Displacement     0.187674     0.001200     NO 
 Predicted change in Energy=-1.019690D-03
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C74H46ClN5
 Framework group  C1[X(C74H46ClN5)]
 Deg. of freedom   372
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        1.265209    2.462425   -0.056927
      2          6           0        1.603672    1.106879   -0.039855
      3          6           0        0.634865    0.087371   -0.000300
      4          6           0       -0.729655    0.469182    0.005624
      5          6           0       -1.074960    1.832838   -0.012043
      6          6           0       -0.101572    2.812396   -0.039889
      7          6           0        0.993303   -1.340942    0.021752
      8          6           0       -0.020039   -2.344205    0.047263
      9          6           0       -1.418368   -1.943038    0.068997
     10          6           0       -1.778494   -0.546609    0.029361
     11          6           0        2.334357   -1.759366    0.030054
     12          6           0        2.705520   -3.106050    0.047578
     13          6           0        1.683228   -4.077786    0.048817
     14          6           0        0.354683   -3.703839    0.047962
     15          7           0       -2.406911   -2.845810    0.145098
     16          6           0       -3.719423   -2.475609    0.111084
     17          6           0       -4.026966   -1.080301    0.045313
     18          7           0       -3.045825   -0.150048    0.023542
     19          6           0       -4.768317   -3.428199    0.121855
     20          6           0       -6.067865   -2.985553    0.083438
     21          6           0       -6.409355   -1.595438    0.039828
     22          6           0       -5.381974   -0.667994    0.019820
     23          6           0        2.316774    3.505049   -0.094436
     24          6           0        4.131717   -3.501050    0.065596
     25          6           0       -7.827380   -1.176411    0.013199
     26          6           0        4.563187   -4.609309    0.816022
     27          6           0        5.903325   -4.981103    0.847726
     28          6           0        6.850817   -4.260216    0.109651
     29          6           0        6.436063   -3.160604   -0.652397
     30          6           0        5.096517   -2.785336   -0.665155
     31          6           0        2.154451    4.669014   -0.866501
     32          6           0        3.142397    5.647658   -0.913768
     33          6           0        4.319895    5.494449   -0.171263
     34          6           0        4.493499    4.346124    0.611086
     35          6           0        3.506782    3.365311    0.640906
     36          6           0       -8.809206   -1.892403    0.721277
     37          6           0      -10.141333   -1.491442    0.713911
     38          6           0      -10.533717   -0.365550   -0.020982
     39          6           0       -9.569705    0.352859   -0.740849
     40          6           0       -8.238022   -0.046329   -0.716553
     41          7           0        5.328496    6.495559   -0.209871
     42          7           0        8.219321   -4.641821    0.131296
     43          7           0      -11.893680    0.042217   -0.039687
     44          6           0        8.731089   -5.882904   -0.273482
     45          6           0       10.140885   -5.874991   -0.108383
     46          6           0       10.495506   -4.572558    0.421572
     47          6           0        9.287403   -3.838849    0.554353
     48          6           0        6.642247    6.317769   -0.664523
     49          6           0        7.340740    7.547991   -0.546120
     50          6           0        6.407441    8.510130    0.007291
     51          6           0        5.177766    7.827345    0.199988
     52          6           0      -12.380713    1.290626    0.372753
     53          6           0      -13.789208    1.315303    0.198069
     54          6           0      -14.168704    0.026219   -0.347245
     55          6           0      -12.976651   -0.732958   -0.478902
     56          6           0       11.707432   -3.976965    0.787916
     57          6           0       11.701865   -2.676811    1.285176
     58          6           0       10.494428   -1.972369    1.426615
     59          6           0        9.272962   -2.538843    1.066494
     60          6           0        8.060680   -6.992794   -0.794182
     61          6           0        8.824159   -8.109442   -1.129630
     62          6           0       10.218423   -8.126489   -0.956011
     63          6           0       10.881397   -7.011887   -0.450598
     64          6           0        6.504988    9.863521    0.349002
     65          6           0        5.393421   10.510962    0.880771
     66          6           0        4.189682    9.814197    1.080639
     67          6           0        4.062188    8.467219    0.746272
     68          6           0        7.252448    5.176574   -1.191469
     69          6           0        8.586323    5.279319   -1.582205
     70          6           0        9.298869    6.483801   -1.456116
     71          6           0        8.680487    7.620564   -0.943303
     72          6           0      -15.391072   -0.538245   -0.728117
     73          6           0      -15.410747   -1.833051   -1.238496
     74          6           0      -14.218296   -2.562802   -1.378746
     75          6           0      -12.987086   -2.027619   -1.004360
     76          6           0      -11.690127    2.380463    0.909225
     77          6           0      -12.431311    3.510283    1.250833
     78          6           0      -13.823498    3.559522    1.067978
     79          6           0      -14.506977    2.464601    0.546828
     80          1           0       -2.260254   -3.957322    0.323193
     81          1           0        2.653774    0.852110   -0.083110
     82          1           0       -2.126797    2.091599    0.006323
     83          1           0       -0.384850    3.859577   -0.028107
     84          1           0        3.123221   -1.020104    0.052569
     85          1           0        1.939333   -5.131198    0.030588
     86          1           0       -0.400107   -4.483973    0.023595
     87          1           0       -4.519982   -4.483938    0.147119
     88          1           0       -6.868228   -3.717258    0.052373
     89          1           0       -5.575705    0.398435    0.014826
     90          1           0        3.843601   -5.164993    1.409034
     91          1           0        6.226894   -5.815113    1.460958
     92          1           0        7.162770   -2.622919   -1.251820
     93          1           0        4.786299   -1.947406   -1.281711
     94          1           0        1.256731    4.791242   -1.464515
     95          1           0        3.019076    6.522673   -1.542801
     96          1           0        5.390096    4.241652    1.212571
     97          1           0        3.643452    2.493482    1.273133
     98          1           0       -8.519944   -2.745918    1.326641
     99          1           0      -10.878647   -2.032496    1.296886
    100          1           0       -9.875437    1.204040   -1.339501
    101          1           0       -7.511849    0.498462   -1.311873
    102          1           0       12.638909   -4.526985    0.687230
    103          1           0       12.635007   -2.203268    1.573909
    104          1           0       10.507648   -0.961913    1.825489
    105          1           0        8.345371   -1.991882    1.192653
    106          1           0        6.987063   -6.985664   -0.944984
    107          1           0        8.324069   -8.984996   -1.533922
    108          1           0       10.780624   -9.015057   -1.225678
    109          1           0       11.960462   -7.019542   -0.324584
    110          1           0        7.439319   10.398178    0.202443
    111          1           0        5.455694   11.560508    1.150813
    112          1           0        3.334849   10.333105    1.505207
    113          1           0        3.132941    7.935246    0.916831
    114          1           0        6.707323    4.246250   -1.305297
    115          1           0        9.082352    4.404380   -1.992933
    116          1           0       10.337572    6.526523   -1.768515
    117          1           0        9.227086    8.555189   -0.853797
    118          1           0      -16.310766    0.031342   -0.628076
    119          1           0      -16.352097   -2.282962   -1.538072
    120          1           0      -14.250999   -3.568759   -1.787546
    121          1           0      -12.071514   -2.594508   -1.129921
    122          1           0      -10.618098    2.347944    1.067882
    123          1           0      -11.915249    4.370439    1.668016
    124          1           0      -14.368318    4.457119    1.343342
    125          1           0      -15.584774    2.496889    0.414221
    126         17           0       -2.333637   -5.694183    0.683751
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           0.0228953           0.0074810           0.0057030
 Standard basis: 6-31G(d,p) (6D, 7F)
 There are  1434 symmetry adapted cartesian basis functions of A   symmetry.
 There are  1434 symmetry adapted basis functions of A   symmetry.
  1434 basis functions,  2586 primitive gaussians,  1434 cartesian basis functions
   271 alpha electrons      271 beta electrons
       nuclear repulsion energy     10542.7472845249 Hartrees.
 NAtoms=  126 NActive=  126 NUniq=  126 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=T Big=T
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 One-electron integrals computed using PRISM.
 NBasis=  1434 RedAO= T EigKep=  1.53D-04  NBF=  1434
 NBsUse=  1434 1.00D-06 EigRej= -1.00D+00 NBFU=  1434
 Initial guess from the checkpoint file:  "ph.chk"
 B after Tr=    -0.000000   -0.000000    0.000000
         Rot=    0.999997    0.002185   -0.000000    0.001492 Ang=   0.30 deg.
 ExpMin= 1.43D-01 ExpMax= 2.52D+04 ExpMxC= 3.78D+03 IAcc=2 IRadAn=         4 AccDes= 0.00D+00
 Harris functional with IExCor=  402 and IRadAn=       4 diagonalized for initial guess.
 HarFok:  IExCor=  402 AccDes= 0.00D+00 IRadAn=         4 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=        2001
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Petite list used in FoFCou.
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Integral accuracy reduced to 1.0D-05 until final iterations.
 Initial convergence to 1.0D-05 achieved.  Increase integral accuracy.
 SCF Done:  E(RB3LYP) =  -3581.77993360     A.U. after   14 cycles
            NFock= 14  Conv=0.46D-08     -V/T= 2.0089
 Calling FoFJK, ICntrl=      2127 FMM=T ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.001118567   -0.001328005    0.000308703
      2        6           0.000740227    0.001041928   -0.000767951
      3        6           0.001238035    0.000700926   -0.000255377
      4        6          -0.001139852   -0.001298994    0.000453669
      5        6           0.000411234    0.000080157    0.000244532
      6        6          -0.000650346   -0.000281221    0.000493855
      7        6          -0.000049235   -0.000819678   -0.000251630
      8        6          -0.000011760    0.002674964   -0.000610706
      9        6          -0.005714886   -0.002866604   -0.001922629
     10        6           0.002505664    0.001066081    0.000181493
     11        6           0.000982256    0.000548037    0.000506763
     12        6           0.001829403   -0.000312815   -0.000180037
     13        6          -0.002478191    0.001063982   -0.001122626
     14        6           0.000618555   -0.001049448    0.002713987
     15        7           0.004621018    0.001608658    0.001702291
     16        6           0.001410005    0.002938302    0.000119311
     17        6          -0.000320216   -0.000859552    0.000369005
     18        7          -0.001190199   -0.001961817   -0.000218717
     19        6          -0.001050230   -0.000437741   -0.000305277
     20        6           0.000396677    0.001627492    0.000246734
     21        6          -0.001652100   -0.001611261    0.000041973
     22        6           0.000118177   -0.000323283   -0.000325858
     23        6          -0.001986888    0.001299426   -0.000265058
     24        6          -0.001876682   -0.001035594    0.000181618
     25        6           0.002408539    0.001623280    0.000088952
     26        6           0.000923941    0.000172548    0.000634113
     27        6          -0.000285021    0.000464792    0.000148078
     28        6          -0.001094090   -0.000780924   -0.000065155
     29        6           0.000243567   -0.000235173   -0.000066576
     30        6           0.000457330    0.000535106   -0.000735156
     31        6           0.001000282   -0.000327650   -0.000561755
     32        6          -0.000209068   -0.000379975   -0.000168704
     33        6          -0.001070196    0.000624644   -0.000107240
     34        6           0.000250458    0.000281180    0.000105162
     35        6           0.000412227   -0.000580370    0.000707957
     36        6          -0.000869842   -0.000315033   -0.000355391
     37        6          -0.000204836    0.000408738    0.000075966
     38        6           0.000877745    0.000650622    0.000080335
     39        6           0.000390749   -0.000324547   -0.000076840
     40        6          -0.000668412   -0.000676572    0.000294612
     41        7          -0.000142073    0.000085394    0.000007540
     42        7          -0.000025692    0.000027855    0.000086469
     43        7          -0.000026569   -0.000025172    0.000020105
     44        6          -0.000649859    0.000179324   -0.000982208
     45        6           0.000932531    0.001088649   -0.001222804
     46        6           0.001393046    0.000329785    0.001254601
     47        6          -0.000148344   -0.000714080    0.000945339
     48        6          -0.000012500    0.000676372   -0.000930914
     49        6           0.001551318   -0.000250511   -0.001083905
     50        6           0.000841569   -0.001056473    0.001363396
     51        6          -0.000741289   -0.000245415    0.000842797
     52        6           0.000660335   -0.000084067    0.000970514
     53        6          -0.000952388   -0.001100310    0.001228258
     54        6          -0.001362720   -0.000403172   -0.001259661
     55        6           0.000214367    0.000632342   -0.000966504
     56        6          -0.000070620   -0.000236674   -0.000088740
     57        6           0.000463996   -0.000103625   -0.000152440
     58        6           0.000212120    0.000746196    0.000025716
     59        6          -0.000264619   -0.000870856   -0.000187624
     60        6          -0.000905842    0.000172970    0.000207644
     61        6           0.000759902   -0.000147550   -0.000004974
     62        6           0.000116332    0.000463693    0.000154911
     63        6          -0.000249595    0.000042132    0.000053110
     64        6          -0.000231593   -0.000046326   -0.000111775
     65        6           0.000154224   -0.000458260   -0.000126916
     66        6           0.000758894    0.000206395    0.000103845
     67        6          -0.000874528   -0.000237760   -0.000275624
     68        6          -0.000317473    0.000875855    0.000146245
     69        6           0.000255224   -0.000750911    0.000004741
     70        6           0.000440749    0.000143020    0.000188595
     71        6          -0.000106159    0.000226527    0.000072248
     72        6           0.000067014    0.000255026    0.000058369
     73        6          -0.000475464    0.000089185    0.000142318
     74        6          -0.000177810   -0.000753956   -0.000008274
     75        6           0.000230665    0.000915293    0.000197756
     76        6           0.000929328   -0.000152820   -0.000173303
     77        6          -0.000757225    0.000151153   -0.000009877
     78        6          -0.000107763   -0.000467021   -0.000153000
     79        6           0.000259409   -0.000048505   -0.000062953
     80        1          -0.000739055    0.000437840    0.000419529
     81        1          -0.000516130   -0.000559318    0.000166642
     82        1          -0.000176443    0.000361716    0.000002625
     83        1           0.000464160    0.000168787   -0.000174799
     84        1          -0.000552290    0.000362023   -0.000183784
     85        1           0.000521560   -0.000185511    0.000420596
     86        1           0.000042516   -0.000476157   -0.001592351
     87        1          -0.000371724   -0.000475632   -0.000745622
     88        1          -0.000037091   -0.000324821   -0.000303451
     89        1          -0.000065054    0.000197581    0.000230754
     90        1          -0.000187927   -0.000122745   -0.000243643
     91        1          -0.000000925   -0.000357895    0.000274184
     92        1          -0.000324918    0.000128484   -0.000306026
     93        1          -0.000154725   -0.000053005    0.000302767
     94        1          -0.000181758    0.000131860    0.000252509
     95        1          -0.000012459    0.000383876   -0.000293466
     96        1          -0.000375348   -0.000168943    0.000256999
     97        1          -0.000146267    0.000022367   -0.000292027
     98        1           0.000208077   -0.000067582    0.000325379
     99        1           0.000354173   -0.000044353    0.000266037
    100        1           0.000108007    0.000339158   -0.000290470
    101        1          -0.000081865    0.000193387   -0.000343978
    102        1          -0.000100108    0.000224611   -0.000175580
    103        1          -0.000039944   -0.000059000    0.000100711
    104        1          -0.000163575   -0.000311823   -0.000009318
    105        1           0.000195681    0.000261194    0.000419543
    106        1           0.000326323    0.000045201   -0.000446599
    107        1          -0.000350771   -0.000000558   -0.000006272
    108        1          -0.000067261   -0.000003566   -0.000098340
    109        1           0.000149436   -0.000193331    0.000180643
    110        1           0.000163846    0.000198523   -0.000157021
    111        1          -0.000076505    0.000000716    0.000089593
    112        1          -0.000354124   -0.000014532   -0.000041680
    113        1           0.000288889   -0.000046501    0.000483902
    114        1           0.000262727   -0.000267213   -0.000424609
    115        1          -0.000181023    0.000305272   -0.000016674
    116        1          -0.000026508    0.000055117   -0.000098948
    117        1          -0.000110296   -0.000233038    0.000165294
    118        1           0.000101623   -0.000218866    0.000181036
    119        1           0.000034267    0.000059204   -0.000098344
    120        1           0.000148666    0.000318862    0.000003087
    121        1          -0.000170206   -0.000280310   -0.000426356
    122        1          -0.000319729   -0.000058982    0.000415563
    123        1           0.000353082    0.000012455    0.000004901
    124        1           0.000063582    0.000008467    0.000102627
    125        1          -0.000157010    0.000186537   -0.000177797
    126       17           0.000180915   -0.000637864    0.000272779
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.005714886 RMS     0.000784845

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.003268931 RMS     0.000444805
 Search for a local minimum.
 Step number  12 out of a maximum of  756
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points   11   12
 DE= -1.21D-03 DEPred=-1.02D-03 R= 1.19D+00
 TightC=F SS=  1.41D+00  RLast= 3.73D-01 DXNew= 5.0454D+00 1.1178D+00
 Trust test= 1.19D+00 RLast= 3.73D-01 DXMaxT set to 3.00D+00
 ITU=  1  1  1  1  1  1  1  1  1  0  1  0
     Eigenvalues ---    0.00590   0.01320   0.02546   0.02576   0.02652
     Eigenvalues ---    0.02666   0.02674   0.02684   0.02690   0.02696
     Eigenvalues ---    0.02700   0.02706   0.02707   0.02707   0.02710
     Eigenvalues ---    0.02714   0.02717   0.02725   0.02740   0.02748
     Eigenvalues ---    0.02756   0.02759   0.02764   0.02768   0.02769
     Eigenvalues ---    0.02772   0.02780   0.02783   0.02786   0.02786
     Eigenvalues ---    0.02787   0.02790   0.02792   0.02792   0.02793
     Eigenvalues ---    0.02793   0.02793   0.02793   0.02794   0.02797
     Eigenvalues ---    0.02801   0.02801   0.02802   0.02802   0.02804
     Eigenvalues ---    0.02807   0.02808   0.02809   0.02809   0.02809
     Eigenvalues ---    0.02810   0.02815   0.02818   0.02818   0.02818
     Eigenvalues ---    0.02819   0.02819   0.02819   0.02827   0.02831
     Eigenvalues ---    0.02834   0.02837   0.02842   0.02845   0.02845
     Eigenvalues ---    0.02845   0.02845   0.02845   0.02851   0.02853
     Eigenvalues ---    0.02862   0.02864   0.02868   0.02868   0.02868
     Eigenvalues ---    0.02871   0.02872   0.02872   0.02873   0.02876
     Eigenvalues ---    0.02877   0.02877   0.02877   0.02877   0.02882
     Eigenvalues ---    0.02884   0.02884   0.02884   0.02885   0.02885
     Eigenvalues ---    0.02885   0.02885   0.02885   0.02885   0.02894
     Eigenvalues ---    0.02895   0.02895   0.02896   0.02897   0.02898
     Eigenvalues ---    0.02898   0.02898   0.02899   0.02899   0.02909
     Eigenvalues ---    0.02909   0.02918   0.02938   0.02942   0.02942
     Eigenvalues ---    0.02961   0.02990   0.03025   0.03025   0.03026
     Eigenvalues ---    0.03136   0.03136   0.03136   0.03149   0.03151
     Eigenvalues ---    0.03265   0.03414   0.03866   0.05330   0.10249
     Eigenvalues ---    0.15494   0.15867   0.15942   0.15973   0.15982
     Eigenvalues ---    0.15985   0.15987   0.15990   0.15991   0.15993
     Eigenvalues ---    0.15993   0.15994   0.15995   0.15995   0.15996
     Eigenvalues ---    0.15996   0.15997   0.15997   0.15998   0.15998
     Eigenvalues ---    0.15999   0.15999   0.15999   0.15999   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16002   0.16004   0.16029   0.16055   0.16167
     Eigenvalues ---    0.17479   0.21960   0.22000   0.22000   0.22000
     Eigenvalues ---    0.22000   0.22000   0.22001   0.22002   0.22005
     Eigenvalues ---    0.22180   0.22426   0.22439   0.22601   0.22601
     Eigenvalues ---    0.22603   0.22603   0.22603   0.22637   0.22725
     Eigenvalues ---    0.22965   0.22968   0.23051   0.23356   0.23488
     Eigenvalues ---    0.23497   0.23853   0.23986   0.24001   0.24321
     Eigenvalues ---    0.24491   0.24492   0.24492   0.24541   0.24541
     Eigenvalues ---    0.24602   0.24620   0.24762   0.24833   0.24982
     Eigenvalues ---    0.24993   0.24993   0.24995   0.24996   0.24996
     Eigenvalues ---    0.24997   0.24998   0.24999   0.25000   0.25000
     Eigenvalues ---    0.25000   0.25000   0.25000   0.25000   0.25001
     Eigenvalues ---    0.25001   0.25012   0.25052   0.25092   0.25638
     Eigenvalues ---    0.26244   0.33142   0.33248   0.33252   0.33254
     Eigenvalues ---    0.33256   0.33257   0.33288   0.33303   0.33390
     Eigenvalues ---    0.33393   0.33396   0.33399   0.33401   0.33429
     Eigenvalues ---    0.33522   0.33562   0.33567   0.33570   0.33572
     Eigenvalues ---    0.33577   0.33613   0.33622   0.33639   0.33643
     Eigenvalues ---    0.33650   0.33662   0.33665   0.33690   0.33710
     Eigenvalues ---    0.33724   0.33759   0.33814   0.33829   0.33831
     Eigenvalues ---    0.33835   0.33840   0.33897   0.33929   0.33930
     Eigenvalues ---    0.33932   0.33936   0.33940   0.34868   0.34941
     Eigenvalues ---    0.35008   0.35504   0.44447   0.44448   0.44449
     Eigenvalues ---    0.45112   0.47988   0.48445   0.48837   0.48970
     Eigenvalues ---    0.48971   0.49301   0.49311   0.49741   0.49822
     Eigenvalues ---    0.49825   0.49834   0.49922   0.49946   0.50065
     Eigenvalues ---    0.50132   0.50416   0.50419   0.50623   0.50623
     Eigenvalues ---    0.50627   0.51271   0.51850   0.52311   0.52482
     Eigenvalues ---    0.52666   0.53524   0.53765   0.54113   0.54118
     Eigenvalues ---    0.54200   0.54203   0.54204   0.54471   0.54569
     Eigenvalues ---    0.54944   0.55022   0.55220   0.55273   0.55317
     Eigenvalues ---    0.55336   0.55350   0.55368   0.55389   0.55433
     Eigenvalues ---    0.55515   0.55637   0.55711   0.55711   0.55717
     Eigenvalues ---    0.55948   0.55951   0.56008   0.56146   0.56148
     Eigenvalues ---    0.56148   0.56155   0.56280   0.56285   0.56290
     Eigenvalues ---    0.56471   0.56661   0.56664   0.56668   0.56670
     Eigenvalues ---    0.56676   0.56682   0.56755   0.56795   0.56853
     Eigenvalues ---    0.56905   0.56908   0.57145   0.57170   0.57171
     Eigenvalues ---    0.57172   0.57182   0.57183   0.58783   0.63087
     Eigenvalues ---    0.65618   0.66098   0.66100   0.66928   0.67699
     Eigenvalues ---    0.67704   0.67711   0.70107   0.70130   0.70675
     Eigenvalues ---    0.73831   0.76199
 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF=       -3 using points:    12   11   10    9
 RFO step:  Lambda=-1.28210787D-03.
 DidBck=F Rises=F RFO-DIIS coefs:    2.02345   -1.03408   -0.41443    0.42506
 Iteration  1 RMS(Cart)=  0.13900241 RMS(Int)=  0.00286851
 Iteration  2 RMS(Cart)=  0.01167406 RMS(Int)=  0.00041624
 Iteration  3 RMS(Cart)=  0.00006984 RMS(Int)=  0.00041603
 Iteration  4 RMS(Cart)=  0.00000001 RMS(Int)=  0.00041603
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        2.64045  -0.00083  -0.00133  -0.00045  -0.00178   2.63868
    R2        2.66636  -0.00025  -0.00193   0.00109  -0.00083   2.66553
    R3        2.79926   0.00091   0.00682  -0.00164   0.00519   2.80445
    R4        2.65878  -0.00033  -0.00037  -0.00081  -0.00119   2.65758
    R5        2.04361   0.00073  -0.00068   0.00218   0.00151   2.04512
    R6        2.67763  -0.00194  -0.00165  -0.00264  -0.00422   2.67341
    R7        2.78313  -0.00060   0.00582  -0.00455   0.00134   2.78447
    R8        2.65848   0.00020   0.00048  -0.00015   0.00033   2.65881
    R9        2.75956  -0.00085   0.00206  -0.00288  -0.00083   2.75872
   R10        2.61015  -0.00023  -0.00261   0.00133  -0.00127   2.60888
   R11        2.04724   0.00003  -0.00046   0.00066   0.00020   2.04745
   R12        2.05013   0.00019   0.00030   0.00002   0.00032   2.05045
   R13        2.69513  -0.00038  -0.00348   0.00126  -0.00223   2.69290
   R14        2.65476  -0.00090  -0.00131  -0.00089  -0.00214   2.65263
   R15        2.74936  -0.00039  -0.00614   0.00327  -0.00293   2.74643
   R16        2.66513   0.00143   0.00046   0.00267   0.00307   2.66820
   R17        2.72624   0.00026  -0.00633   0.00367  -0.00260   2.72364
   R18        2.53393   0.00327   0.00062   0.00575   0.00575   2.53968
   R19        2.50944  -0.00203  -0.00155  -0.00107  -0.00196   2.50748
   R20        2.63996  -0.00008   0.00084  -0.00101  -0.00011   2.63986
   R21        2.04346   0.00068  -0.00095   0.00216   0.00121   2.04467
   R22        2.66535  -0.00126   0.00057  -0.00225  -0.00167   2.66369
   R23        2.79679   0.00085   0.00615  -0.00139   0.00475   2.80154
   R24        2.60814   0.00070  -0.00144   0.00180   0.00030   2.60844
   R25        2.04894   0.00026   0.00007   0.00050   0.00057   2.04950
   R26        2.05182   0.00003   0.01244  -0.00881   0.00364   2.05546
   R27        2.57786   0.00037  -0.00042   0.00147   0.00037   2.57824
   R28        2.14522  -0.00009  -0.02231  -0.00450  -0.02760   2.11762
   R29        5.47980   0.00018   0.06943  -0.03708   0.03315   5.51295
   R30        2.70290  -0.00237  -0.00207  -0.00313  -0.00539   2.69751
   R31        2.67763  -0.00110  -0.00385  -0.00041  -0.00440   2.67324
   R32        2.55531  -0.00126   0.00110  -0.00255  -0.00090   2.55441
   R33        2.67695  -0.00040  -0.00054  -0.00011  -0.00063   2.67632
   R34        2.59535   0.00049  -0.00108   0.00197   0.00087   2.59623
   R35        2.05006   0.00037   0.00161   0.00095   0.00256   2.05262
   R36        2.70629  -0.00069  -0.00002  -0.00073  -0.00062   2.70567
   R37        2.05010   0.00006   0.00058  -0.00031   0.00027   2.05038
   R38        2.61579  -0.00030  -0.00217   0.00070  -0.00133   2.61446
   R39        2.79468   0.00135   0.00232   0.00133   0.00365   2.79833
   R40        2.04826   0.00017   0.00046   0.00014   0.00060   2.04886
   R41        2.65723  -0.00050  -0.00124  -0.00025  -0.00148   2.65575
   R42        2.65664  -0.00028  -0.00092  -0.00028  -0.00120   2.65545
   R43        2.65743  -0.00036  -0.00101  -0.00002  -0.00103   2.65640
   R44        2.65712  -0.00030  -0.00088  -0.00033  -0.00120   2.65592
   R45        2.65774  -0.00048  -0.00210   0.00016  -0.00193   2.65581
   R46        2.65790  -0.00049  -0.00200  -0.00044  -0.00243   2.65548
   R47        2.62883  -0.00004  -0.00139   0.00051  -0.00087   2.62796
   R48        2.05125   0.00000   0.00031  -0.00053  -0.00021   2.05103
   R49        2.64708  -0.00038  -0.00132   0.00100  -0.00033   2.64676
   R50        2.04957   0.00019  -0.00065   0.00031  -0.00035   2.04922
   R51        2.64689  -0.00031  -0.00138   0.00126  -0.00012   2.64677
   R52        2.68507  -0.00178   0.00018  -0.00295  -0.00277   2.68230
   R53        2.62894  -0.00008  -0.00141   0.00046  -0.00095   2.62799
   R54        2.04973   0.00017  -0.00064   0.00018  -0.00045   2.04928
   R55        2.05147   0.00009   0.00033  -0.00016   0.00017   2.05164
   R56        2.62938  -0.00004  -0.00130   0.00050  -0.00080   2.62858
   R57        2.05143   0.00006   0.00045  -0.00043   0.00002   2.05145
   R58        2.64649  -0.00039  -0.00155   0.00112  -0.00044   2.64605
   R59        2.04976   0.00020  -0.00063   0.00032  -0.00031   2.04945
   R60        2.64620  -0.00031  -0.00162   0.00133  -0.00029   2.64590
   R61        2.68646  -0.00177   0.00054  -0.00302  -0.00248   2.68399
   R62        2.62970  -0.00011  -0.00126   0.00039  -0.00087   2.62884
   R63        2.04979   0.00019  -0.00065   0.00029  -0.00036   2.04943
   R64        2.05144   0.00010   0.00012   0.00006   0.00018   2.05163
   R65        2.62895   0.00002  -0.00118   0.00054  -0.00065   2.62831
   R66        2.05157  -0.00009   0.00100  -0.00108  -0.00008   2.05149
   R67        2.64674  -0.00039  -0.00067   0.00089   0.00021   2.64695
   R68        2.04949   0.00019  -0.00064   0.00027  -0.00037   2.04911
   R69        2.64807  -0.00046  -0.00130   0.00087  -0.00044   2.64763
   R70        2.68323  -0.00174   0.00018  -0.00278  -0.00260   2.68063
   R71        2.62755   0.00009  -0.00057   0.00056  -0.00002   2.62753
   R72        2.04960   0.00018  -0.00060   0.00017  -0.00043   2.04917
   R73        2.05149  -0.00002   0.00057  -0.00039   0.00018   2.05167
   R74        2.64849  -0.00162   0.00359  -0.00186   0.00173   2.65022
   R75        2.64856  -0.00162   0.00358  -0.00188   0.00170   2.65026
   R76        2.64969  -0.00154   0.00378  -0.00178   0.00201   2.65169
   R77        2.64868  -0.00154   0.00383  -0.00181   0.00202   2.65070
   R78        2.64955  -0.00145   0.00385  -0.00166   0.00219   2.65174
   R79        2.65009  -0.00145   0.00392  -0.00169   0.00224   2.65233
   R80        2.68238  -0.00127  -0.00337  -0.00027  -0.00364   2.67873
   R81        2.64051  -0.00043  -0.00200   0.00095  -0.00106   2.63945
   R82        2.74039  -0.00102  -0.00038  -0.00159  -0.00198   2.73841
   R83        2.64427   0.00012  -0.00083   0.00052  -0.00031   2.64396
   R84        2.68279  -0.00128  -0.00338  -0.00027  -0.00365   2.67915
   R85        2.64407   0.00013  -0.00080   0.00052  -0.00027   2.64380
   R86        2.64056  -0.00041  -0.00197   0.00097  -0.00100   2.63956
   R87        2.68272  -0.00128  -0.00330  -0.00027  -0.00358   2.67914
   R88        2.64044  -0.00044  -0.00197   0.00091  -0.00106   2.63938
   R89        2.74044  -0.00100  -0.00043  -0.00153  -0.00197   2.73848
   R90        2.64423   0.00013  -0.00080   0.00054  -0.00025   2.64398
   R91        2.68276  -0.00129  -0.00335  -0.00030  -0.00365   2.67912
   R92        2.64423   0.00013  -0.00079   0.00053  -0.00025   2.64398
   R93        2.64047  -0.00046  -0.00203   0.00091  -0.00112   2.63935
   R94        2.68247  -0.00129  -0.00340  -0.00026  -0.00366   2.67880
   R95        2.64052  -0.00043  -0.00201   0.00100  -0.00101   2.63951
   R96        2.74051  -0.00102  -0.00042  -0.00163  -0.00206   2.73845
   R97        2.64407   0.00012  -0.00080   0.00049  -0.00031   2.64376
   R98        2.68226  -0.00129  -0.00338  -0.00030  -0.00367   2.67859
   R99        2.64418   0.00011  -0.00082   0.00051  -0.00031   2.64387
   R100       2.64046  -0.00042  -0.00196   0.00097  -0.00099   2.63946
   R101       2.63052  -0.00006  -0.00072   0.00016  -0.00057   2.62996
   R102       2.05304  -0.00011   0.00014  -0.00026  -0.00012   2.05292
   R103       2.65515  -0.00012  -0.00243   0.00072  -0.00171   2.65344
   R104       2.05134  -0.00001   0.00015  -0.00001   0.00013   2.05148
   R105       2.63382  -0.00028   0.00012  -0.00025  -0.00013   2.63369
   R106       2.05303  -0.00022   0.00009  -0.00047  -0.00038   2.05265
   R107       2.04885   0.00025  -0.00043   0.00021  -0.00022   2.04864
   R108       2.63366  -0.00029   0.00010  -0.00025  -0.00016   2.63351
   R109       2.04880   0.00024  -0.00040   0.00015  -0.00025   2.04855
   R110       2.65532  -0.00012  -0.00240   0.00072  -0.00168   2.65364
   R111       2.05289  -0.00022   0.00003  -0.00046  -0.00043   2.05246
   R112       2.63026  -0.00005  -0.00072   0.00016  -0.00057   2.62970
   R113       2.05133  -0.00001   0.00013  -0.00001   0.00011   2.05144
   R114       2.05305  -0.00011   0.00017  -0.00027  -0.00010   2.05294
   R115       2.63041  -0.00005  -0.00074   0.00018  -0.00055   2.62986
   R116       2.05304  -0.00011   0.00016  -0.00027  -0.00012   2.05292
   R117       2.65533  -0.00011  -0.00238   0.00074  -0.00164   2.65369
   R118       2.05133  -0.00001   0.00014  -0.00002   0.00012   2.05145
   R119       2.63371  -0.00027   0.00013  -0.00026  -0.00012   2.63359
   R120       2.05300  -0.00022   0.00006  -0.00047  -0.00041   2.05259
   R121       2.04892   0.00026  -0.00039   0.00023  -0.00016   2.04877
   R122       2.63375  -0.00028   0.00011  -0.00025  -0.00014   2.63361
   R123       2.04896   0.00026  -0.00039   0.00021  -0.00019   2.04877
   R124       2.65532  -0.00011  -0.00238   0.00073  -0.00165   2.65367
   R125       2.05299  -0.00022   0.00006  -0.00046  -0.00040   2.05260
   R126       2.63046  -0.00006  -0.00075   0.00017  -0.00058   2.62988
   R127       2.05131  -0.00001   0.00014  -0.00002   0.00012   2.05143
   R128       2.05304  -0.00011   0.00016  -0.00028  -0.00011   2.05292
   R129       2.63032  -0.00006  -0.00078   0.00017  -0.00061   2.62970
   R130       2.05301  -0.00011   0.00015  -0.00027  -0.00012   2.05289
   R131       2.65515  -0.00013  -0.00243   0.00071  -0.00172   2.65343
   R132       2.05129  -0.00001   0.00013  -0.00002   0.00011   2.05141
   R133       2.63376  -0.00028   0.00011  -0.00024  -0.00014   2.63362
   R134       2.05289  -0.00022   0.00003  -0.00046  -0.00043   2.05246
   R135       2.04876   0.00025  -0.00044   0.00017  -0.00027   2.04849
   R136       2.63381  -0.00026   0.00013  -0.00022  -0.00010   2.63372
   R137       2.04883   0.00024  -0.00045   0.00017  -0.00028   2.04854
   R138       2.65508  -0.00014  -0.00243   0.00070  -0.00173   2.65335
   R139       2.05297  -0.00022   0.00005  -0.00046  -0.00041   2.05256
   R140       2.63045  -0.00006  -0.00077   0.00017  -0.00060   2.62985
   R141       2.05132  -0.00001   0.00013  -0.00001   0.00012   2.05144
   R142       2.05301  -0.00011   0.00015  -0.00027  -0.00012   2.05289
   R143       3.35504   0.00047   0.08867  -0.02560   0.06226   3.41730
    A1        2.06590  -0.00008   0.00029  -0.00059  -0.00030   2.06560
    A2        2.10737   0.00010   0.00102  -0.00077   0.00026   2.10762
    A3        2.10992  -0.00002  -0.00131   0.00135   0.00005   2.10996
    A4        2.13711   0.00005   0.00061  -0.00082  -0.00021   2.13690
    A5        2.05249   0.00023   0.00049   0.00188   0.00240   2.05488
    A6        2.09330  -0.00028  -0.00117  -0.00112  -0.00227   2.09102
    A7        2.05778   0.00026  -0.00129   0.00218   0.00084   2.05862
    A8        2.13599  -0.00043   0.00109  -0.00258  -0.00149   2.13450
    A9        2.08937   0.00018   0.00015   0.00038   0.00054   2.08991
   A10        2.09153   0.00010   0.00060  -0.00030   0.00030   2.09183
   A11        2.09936   0.00014  -0.00009   0.00056   0.00039   2.09976
   A12        2.09230  -0.00024  -0.00053  -0.00026  -0.00073   2.09157
   A13        2.11147  -0.00023  -0.00005  -0.00090  -0.00098   2.11050
   A14        2.05966   0.00052  -0.00254   0.00333   0.00080   2.06046
   A15        2.11201  -0.00029   0.00257  -0.00243   0.00015   2.11216
   A16        2.10249  -0.00009  -0.00004   0.00048   0.00043   2.10291
   A17        2.08573   0.00051  -0.00100   0.00296   0.00196   2.08769
   A18        2.09476  -0.00042   0.00097  -0.00347  -0.00250   2.09225
   A19        2.10547   0.00024  -0.00123   0.00114  -0.00019   2.10528
   A20        2.11913  -0.00094   0.00628  -0.00769  -0.00139   2.11774
   A21        2.05854   0.00071  -0.00495   0.00657   0.00162   2.06015
   A22        2.08196  -0.00036  -0.00328   0.00027  -0.00314   2.07882
   A23        2.08219  -0.00067   0.01106  -0.00994   0.00110   2.08329
   A24        2.11903   0.00103  -0.00782   0.00967   0.00204   2.12107
   A25        2.10181  -0.00026   0.00820  -0.00449   0.00417   2.10598
   A26        2.12206   0.00327  -0.00976   0.01900   0.01026   2.13232
   A27        2.05920  -0.00300   0.00122  -0.01438  -0.01433   2.04487
   A28        2.08802   0.00008  -0.00493   0.00212  -0.00302   2.08500
   A29        2.06878  -0.00130   0.00973  -0.01119  -0.00129   2.06749
   A30        2.12635   0.00123  -0.00496   0.00909   0.00428   2.13063
   A31        2.14220   0.00008  -0.00177   0.00050  -0.00119   2.14101
   A32        2.08621  -0.00012  -0.00198   0.00062  -0.00137   2.08484
   A33        2.05436   0.00004   0.00363  -0.00098   0.00263   2.05699
   A34        2.06188  -0.00008   0.00269  -0.00304  -0.00033   2.06155
   A35        2.11001  -0.00010  -0.00029   0.00044   0.00014   2.11015
   A36        2.11130   0.00017  -0.00240   0.00260   0.00018   2.11148
   A37        2.10717   0.00050   0.00186   0.00139   0.00314   2.11031
   A38        2.09226   0.00031   0.00029   0.00114   0.00148   2.09373
   A39        2.08357  -0.00081  -0.00208  -0.00261  -0.00464   2.07893
   A40        2.11410  -0.00054  -0.00940   0.00464  -0.00457   2.10953
   A41        2.10361   0.00056  -0.00170   0.00383   0.00258   2.10619
   A42        2.06519  -0.00001   0.01039  -0.00862   0.00223   2.06742
   A43        2.12374   0.00077   0.00383   0.00604   0.01345   2.13719
   A44        2.18080  -0.00101  -0.01253  -0.00743  -0.01855   2.16225
   A45        2.28265  -0.00041  -0.01752   0.00177  -0.01098   2.27167
   A46        1.97570   0.00021   0.00122   0.00271   0.00573   1.98143
   A47        1.87079  -0.00039   0.00319  -0.00933  -0.00090   1.86989
   A48        2.06322   0.00026  -0.00677   0.00303  -0.00513   2.05809
   A49        2.12892  -0.00107  -0.00163  -0.00226  -0.00283   2.12610
   A50        2.09095   0.00082   0.00841  -0.00074   0.00802   2.09898
   A51        2.11278  -0.00042   0.00172  -0.00435  -0.00281   2.10997
   A52        2.08339   0.00007  -0.00414   0.00160  -0.00271   2.08068
   A53        2.08693   0.00035   0.00233   0.00277   0.00541   2.09234
   A54        2.07939   0.00120   0.00351   0.00098   0.00509   2.08448
   A55        2.07551  -0.00045  -0.00489   0.00028  -0.00473   2.07078
   A56        2.07713  -0.00024  -0.00230  -0.00138  -0.00331   2.07382
   A57        2.13046   0.00069   0.00660   0.00114   0.00811   2.13858
   A58        2.14044  -0.00028  -0.00160   0.00008  -0.00159   2.13885
   A59        2.07316  -0.00017   0.00629  -0.00320   0.00313   2.07630
   A60        2.06905   0.00045  -0.00452   0.00319  -0.00129   2.06777
   A61        2.06442   0.00006   0.00470  -0.00101   0.00377   2.06820
   A62        2.09928   0.00020  -0.00435   0.00319  -0.00121   2.09807
   A63        2.11948  -0.00026  -0.00034  -0.00218  -0.00256   2.11692
   A64        2.11143  -0.00022  -0.00249  -0.00005  -0.00257   2.10885
   A65        2.04589   0.00009   0.00326   0.00018   0.00345   2.04933
   A66        2.12542   0.00014  -0.00084   0.00001  -0.00080   2.12462
   A67        2.11132  -0.00036  -0.00134   0.00053  -0.00081   2.11051
   A68        2.11496  -0.00021  -0.00004  -0.00050  -0.00054   2.11442
   A69        2.05691   0.00057   0.00138  -0.00003   0.00134   2.05825
   A70        2.10889  -0.00028  -0.00236   0.00109  -0.00127   2.10763
   A71        2.11652  -0.00021   0.00065  -0.00037   0.00028   2.11681
   A72        2.05777   0.00049   0.00171  -0.00072   0.00098   2.05875
   A73        2.11305  -0.00017  -0.00449   0.00299  -0.00150   2.11155
   A74        2.11407  -0.00047  -0.00156  -0.00152  -0.00308   2.11099
   A75        2.05606   0.00064   0.00605  -0.00147   0.00458   2.06064
   A76        2.11574  -0.00038  -0.00129   0.00038  -0.00092   2.11482
   A77        2.08470   0.00045  -0.00011   0.00188   0.00179   2.08649
   A78        2.08215  -0.00008   0.00126  -0.00230  -0.00102   2.08113
   A79        2.09678   0.00005  -0.00079   0.00141   0.00065   2.09743
   A80        2.10111   0.00008   0.00390  -0.00303   0.00092   2.10203
   A81        2.08502  -0.00012  -0.00321   0.00165  -0.00150   2.08351
   A82        2.08334   0.00018   0.00232  -0.00288  -0.00059   2.08275
   A83        2.10045  -0.00010  -0.00120   0.00134   0.00015   2.10060
   A84        2.09940  -0.00007  -0.00112   0.00154   0.00043   2.09983
   A85        2.09657  -0.00005  -0.00162   0.00171   0.00011   2.09668
   A86        2.08454  -0.00011  -0.00321   0.00159  -0.00157   2.08297
   A87        2.10172   0.00017   0.00473  -0.00326   0.00152   2.10324
   A88        2.11604  -0.00029  -0.00045   0.00011  -0.00035   2.11569
   A89        2.08515   0.00037  -0.00022   0.00154   0.00134   2.08650
   A90        2.08125  -0.00009   0.00058  -0.00174  -0.00114   2.08011
   A91        2.11636  -0.00037  -0.00078  -0.00006  -0.00085   2.11551
   A92        2.08418   0.00045  -0.00018   0.00197   0.00181   2.08599
   A93        2.08204  -0.00009   0.00089  -0.00200  -0.00109   2.08095
   A94        2.09675  -0.00001  -0.00103   0.00129   0.00028   2.09703
   A95        2.10176   0.00015   0.00434  -0.00292   0.00148   2.10324
   A96        2.08439  -0.00013  -0.00340   0.00166  -0.00168   2.08271
   A97        2.08308   0.00023   0.00220  -0.00243  -0.00025   2.08282
   A98        2.10028  -0.00016  -0.00122   0.00099  -0.00022   2.10006
   A99        2.09983  -0.00007  -0.00098   0.00144   0.00047   2.10030
   A100       2.09677  -0.00006  -0.00129   0.00139   0.00011   2.09688
   A101       2.08434  -0.00011  -0.00334   0.00173  -0.00156   2.08278
   A102       2.10172   0.00017   0.00455  -0.00305   0.00155   2.10327
   A103       2.11641  -0.00036  -0.00058  -0.00015  -0.00074   2.11566
   A104       2.08406   0.00043  -0.00010   0.00164   0.00156   2.08562
   A105       2.08203  -0.00007   0.00057  -0.00154  -0.00095   2.08108
   A106       2.11657  -0.00042  -0.00332   0.00067  -0.00267   2.11390
   A107       2.08859   0.00034  -0.00373   0.00255  -0.00119   2.08741
   A108       2.07679   0.00009   0.00720  -0.00295   0.00425   2.08104
   A109       2.09755  -0.00004  -0.00174   0.00145  -0.00026   2.09729
   A110       2.09942   0.00023   0.00542  -0.00274   0.00274   2.10217
   A111       2.08589  -0.00018  -0.00377   0.00135  -0.00235   2.08353
   A112       2.08167   0.00029   0.00412  -0.00289   0.00119   2.08286
   A113       2.10145  -0.00020  -0.00205   0.00111  -0.00092   2.10053
   A114       2.10007  -0.00009  -0.00207   0.00178  -0.00027   2.09980
   A115       2.09753  -0.00010  -0.00206   0.00148  -0.00055   2.09698
   A116       2.08514  -0.00015  -0.00376   0.00152  -0.00216   2.08298
   A117       2.10009   0.00026   0.00573  -0.00294   0.00286   2.10295
   A118       2.11690  -0.00038  -0.00315   0.00077  -0.00240   2.11450
   A119       2.08568   0.00023  -0.00356   0.00151  -0.00205   2.08363
   A120       2.07944   0.00015   0.00688  -0.00207   0.00481   2.08424
   A121       2.19509  -0.00014   0.00138  -0.00017   0.00120   2.19629
   A122       2.19556  -0.00015   0.00135  -0.00035   0.00099   2.19655
   A123       1.89253   0.00029  -0.00273   0.00053  -0.00219   1.89034
   A124       2.19550  -0.00012   0.00141  -0.00021   0.00119   2.19669
   A125       2.19528  -0.00012   0.00141  -0.00018   0.00122   2.19651
   A126       1.89239   0.00024  -0.00282   0.00040  -0.00241   1.88998
   A127       2.19510  -0.00010   0.00128   0.00005   0.00132   2.19642
   A128       2.19571  -0.00012   0.00160  -0.00039   0.00120   2.19691
   A129       1.89237   0.00022  -0.00288   0.00035  -0.00252   1.88985
   A130       1.90074  -0.00005   0.00061  -0.00009   0.00050   1.90125
   A131       2.25949  -0.00043  -0.00318   0.00183  -0.00138   2.25811
   A132       2.12269   0.00048   0.00243  -0.00173   0.00068   2.12337
   A133       1.86543  -0.00007   0.00081  -0.00011   0.00070   1.86613
   A134       2.08591  -0.00023  -0.00200   0.00132  -0.00065   2.08526
   A135       2.33185   0.00030   0.00114  -0.00121  -0.00005   2.33180
   A136       1.86529  -0.00007   0.00081  -0.00010   0.00072   1.86600
   A137       2.33202   0.00031   0.00116  -0.00122  -0.00004   2.33198
   A138       2.08587  -0.00024  -0.00202   0.00132  -0.00068   2.08519
   A139       1.90092  -0.00005   0.00060  -0.00009   0.00049   1.90141
   A140       2.25976  -0.00043  -0.00317   0.00185  -0.00133   2.25843
   A141       2.12222   0.00048   0.00241  -0.00175   0.00064   2.12285
   A142       1.90099  -0.00007   0.00058  -0.00017   0.00040   1.90139
   A143       2.25921  -0.00044  -0.00314   0.00180  -0.00136   2.25785
   A144       2.12274   0.00051   0.00243  -0.00162   0.00079   2.12354
   A145       1.86514  -0.00008   0.00077  -0.00010   0.00068   1.86582
   A146       2.08560  -0.00025  -0.00202   0.00124  -0.00076   2.08484
   A147       2.33244   0.00033   0.00120  -0.00114   0.00008   2.33252
   A148       1.86519  -0.00008   0.00077  -0.00010   0.00067   1.86586
   A149       2.33234   0.00034   0.00122  -0.00110   0.00014   2.33248
   A150       2.08566  -0.00026  -0.00204   0.00121  -0.00081   2.08485
   A151       1.90092  -0.00006   0.00060  -0.00015   0.00044   1.90136
   A152       2.25925  -0.00045  -0.00321   0.00174  -0.00149   2.25776
   A153       2.12277   0.00052   0.00247  -0.00156   0.00089   2.12366
   A154       1.90070  -0.00006   0.00064  -0.00012   0.00050   1.90120
   A155       2.25975  -0.00040  -0.00308   0.00202  -0.00109   2.25867
   A156       2.12244   0.00046   0.00229  -0.00189   0.00037   2.12281
   A157       1.86552  -0.00005   0.00081  -0.00005   0.00076   1.86628
   A158       2.08589  -0.00022  -0.00191   0.00143  -0.00046   2.08543
   A159       2.33177   0.00026   0.00105  -0.00138  -0.00030   2.33147
   A160       1.86559  -0.00005   0.00084  -0.00010   0.00075   1.86634
   A161       2.33166   0.00027   0.00100  -0.00131  -0.00029   2.33137
   A162       2.08594  -0.00022  -0.00189   0.00140  -0.00047   2.08547
   A163       1.90060  -0.00006   0.00059  -0.00007   0.00050   1.90110
   A164       2.25973  -0.00040  -0.00298   0.00188  -0.00112   2.25862
   A165       2.12256   0.00046   0.00223  -0.00181   0.00040   2.12297
   A166       2.08019  -0.00010   0.00047  -0.00041   0.00006   2.08025
   A167       2.09771   0.00034  -0.00011   0.00161   0.00150   2.09921
   A168       2.10528  -0.00024  -0.00037  -0.00121  -0.00158   2.10370
   A169       2.10328   0.00021   0.00088   0.00005   0.00093   2.10422
   A170       2.09327  -0.00021  -0.00006  -0.00093  -0.00099   2.09228
   A171       2.08660  -0.00000  -0.00081   0.00088   0.00008   2.08668
   A172       2.12157  -0.00048  -0.00138  -0.00056  -0.00194   2.11963
   A173       2.08612  -0.00003  -0.00031  -0.00035  -0.00066   2.08546
   A174       2.07550   0.00050   0.00169   0.00092   0.00260   2.07810
   A175       2.05305   0.00013  -0.00052   0.00141   0.00091   2.05396
   A176       2.11863  -0.00026  -0.00287   0.00102  -0.00184   2.11679
   A177       2.11143   0.00013   0.00333  -0.00239   0.00095   2.11239
   A178       2.05249   0.00013  -0.00055   0.00139   0.00087   2.05336
   A179       2.11967  -0.00026  -0.00286   0.00098  -0.00185   2.11782
   A180       2.11095   0.00014   0.00334  -0.00234   0.00102   2.11197
   A181       2.12182  -0.00047  -0.00136  -0.00057  -0.00193   2.11989
   A182       2.07505   0.00050   0.00165   0.00090   0.00255   2.07760
   A183       2.08632  -0.00002  -0.00028  -0.00033  -0.00061   2.08570
   A184       2.10341   0.00021   0.00089   0.00008   0.00098   2.10439
   A185       2.08649  -0.00001  -0.00081   0.00084   0.00003   2.08653
   A186       2.09326  -0.00021  -0.00008  -0.00092  -0.00100   2.09227
   A187       2.07987  -0.00011   0.00043  -0.00045  -0.00001   2.07985
   A188       2.09784   0.00035  -0.00008   0.00165   0.00157   2.09941
   A189       2.10548  -0.00023  -0.00035  -0.00121  -0.00157   2.10391
   A190       2.08003  -0.00011   0.00046  -0.00044   0.00002   2.08005
   A191       2.09786   0.00034  -0.00010   0.00163   0.00152   2.09938
   A192       2.10529  -0.00023  -0.00036  -0.00119  -0.00155   2.10374
   A193       2.10343   0.00022   0.00088   0.00014   0.00103   2.10445
   A194       2.09318  -0.00021  -0.00005  -0.00094  -0.00099   2.09218
   A195       2.08656  -0.00001  -0.00082   0.00081  -0.00001   2.08654
   A196       2.12173  -0.00049  -0.00136  -0.00062  -0.00198   2.11976
   A197       2.08611  -0.00002  -0.00034  -0.00033  -0.00068   2.08544
   A198       2.07534   0.00051   0.00171   0.00095   0.00265   2.07799
   A199       2.05257   0.00012  -0.00056   0.00133   0.00079   2.05336
   A200       2.11891  -0.00027  -0.00292   0.00094  -0.00196   2.11695
   A201       2.11163   0.00016   0.00342  -0.00223   0.00121   2.11284
   A202       2.05271   0.00012  -0.00055   0.00135   0.00082   2.05354
   A203       2.11860  -0.00026  -0.00293   0.00098  -0.00192   2.11667
   A204       2.11180   0.00015   0.00341  -0.00230   0.00114   2.11293
   A205       2.12159  -0.00048  -0.00134  -0.00060  -0.00194   2.11965
   A206       2.07556   0.00051   0.00172   0.00092   0.00264   2.07819
   A207       2.08604  -0.00003  -0.00037  -0.00032  -0.00069   2.08534
   A208       2.10344   0.00022   0.00089   0.00011   0.00101   2.10445
   A209       2.08650  -0.00001  -0.00081   0.00081   0.00000   2.08651
   A210       2.09321  -0.00021  -0.00007  -0.00093  -0.00099   2.09222
   A211       2.08010  -0.00011   0.00046  -0.00044   0.00002   2.08012
   A212       2.09781   0.00035  -0.00008   0.00165   0.00156   2.09937
   A213       2.10527  -0.00023  -0.00038  -0.00121  -0.00160   2.10368
   A214       2.07993  -0.00011   0.00046  -0.00046   0.00000   2.07994
   A215       2.09783   0.00034  -0.00010   0.00162   0.00152   2.09935
   A216       2.10541  -0.00023  -0.00037  -0.00116  -0.00153   2.10388
   A217       2.10337   0.00021   0.00082   0.00005   0.00088   2.10425
   A218       2.09326  -0.00020  -0.00003  -0.00091  -0.00094   2.09232
   A219       2.08653  -0.00000  -0.00079   0.00086   0.00008   2.08661
   A220       2.12173  -0.00048  -0.00134  -0.00056  -0.00190   2.11982
   A221       2.08629  -0.00002  -0.00030  -0.00031  -0.00062   2.08567
   A222       2.07517   0.00050   0.00165   0.00087   0.00252   2.07769
   A223       2.05264   0.00013  -0.00044   0.00142   0.00100   2.05364
   A224       2.11968  -0.00025  -0.00275   0.00103  -0.00169   2.11799
   A225       2.11079   0.00012   0.00312  -0.00242   0.00072   2.11151
   A226       2.05278   0.00014  -0.00046   0.00148   0.00104   2.05381
   A227       2.11937  -0.00027  -0.00282   0.00095  -0.00185   2.11752
   A228       2.11095   0.00013   0.00322  -0.00240   0.00085   2.11180
   A229       2.12169  -0.00048  -0.00135  -0.00056  -0.00191   2.11977
   A230       2.07525   0.00050   0.00168   0.00091   0.00259   2.07784
   A231       2.08624  -0.00002  -0.00032  -0.00035  -0.00067   2.08557
   A232       2.10330   0.00021   0.00083   0.00002   0.00086   2.10416
   A233       2.08666  -0.00000  -0.00080   0.00087   0.00008   2.08674
   A234       2.09319  -0.00020  -0.00003  -0.00090  -0.00092   2.09227
   A235       2.08008  -0.00010   0.00045  -0.00043   0.00003   2.08011
   A236       2.09776   0.00034  -0.00009   0.00161   0.00152   2.09928
   A237       2.10534  -0.00023  -0.00037  -0.00119  -0.00156   2.10378
    D1       -0.00523   0.00001   0.00065   0.00068   0.00138  -0.00385
    D2        3.11037  -0.00013  -0.00020  -0.00221  -0.00228   3.10809
    D3        3.13824   0.00003   0.00075   0.00135   0.00210   3.14034
    D4       -0.02935  -0.00011  -0.00010  -0.00154  -0.00156  -0.03091
    D5       -0.00412   0.00006   0.00407   0.00116   0.00519   0.00107
    D6        3.11554  -0.00007   0.00063  -0.00095  -0.00035   3.11518
    D7        3.13559   0.00004   0.00398   0.00048   0.00447   3.14007
    D8       -0.02793  -0.00009   0.00053  -0.00163  -0.00108  -0.02901
    D9        2.46516   0.00013   0.01126   0.00745   0.01874   2.48389
   D10       -0.67840   0.00016   0.01100   0.00907   0.02009  -0.65832
   D11       -0.67451   0.00015   0.01136   0.00814   0.01948  -0.65503
   D12        2.46511   0.00018   0.01109   0.00976   0.02083   2.48594
   D13        0.01356  -0.00010  -0.00628  -0.00315  -0.00941   0.00414
   D14       -3.13830  -0.00022  -0.01178  -0.00646  -0.01799   3.12690
   D15       -3.10145   0.00004  -0.00549  -0.00024  -0.00574  -3.10719
   D16        0.02988  -0.00008  -0.01099  -0.00354  -0.01432   0.01557
   D17       -0.01273   0.00013   0.00728   0.00385   0.01103  -0.00170
   D18        3.12837   0.00014   0.01778   0.00266   0.02047  -3.13434
   D19        3.13884   0.00025   0.01263   0.00708   0.01939  -3.12496
   D20       -0.00324   0.00026   0.02314   0.00589   0.02883   0.02559
   D21       -3.12972  -0.00003  -0.00340  -0.00216  -0.00559  -3.13531
   D22        0.02158  -0.00016  -0.01235  -0.00557  -0.01788   0.00370
   D23        0.00144  -0.00015  -0.00901  -0.00551  -0.01431  -0.01288
   D24       -3.13045  -0.00028  -0.01796  -0.00893  -0.02660   3.12613
   D25        0.00395  -0.00007  -0.00281  -0.00219  -0.00488  -0.00092
   D26       -3.12773  -0.00004  -0.00029  -0.00193  -0.00215  -3.12988
   D27       -3.13715  -0.00008  -0.01327  -0.00100  -0.01428   3.13176
   D28        0.01435  -0.00005  -0.01075  -0.00075  -0.01155   0.00280
   D29        0.01771  -0.00017  -0.00951  -0.00242  -0.01224   0.00547
   D30       -3.13242  -0.00006  -0.01498   0.00030  -0.01551   3.13526
   D31       -3.12437  -0.00017   0.00101  -0.00362  -0.00280  -3.12717
   D32        0.00868  -0.00006  -0.00446  -0.00089  -0.00607   0.00262
   D33        0.00470  -0.00003  -0.00299  -0.00039  -0.00344   0.00125
   D34       -3.11485   0.00009   0.00044   0.00165   0.00206  -3.11279
   D35        3.13608  -0.00005  -0.00562  -0.00062  -0.00625   3.12983
   D36        0.01654   0.00006  -0.00218   0.00142  -0.00074   0.01580
   D37       -0.01391  -0.00005  -0.01866   0.00155  -0.01683  -0.03074
   D38        3.12531  -0.00005  -0.01885   0.00026  -0.01854   3.10678
   D39        3.11832   0.00007  -0.00990   0.00478  -0.00496   3.11336
   D40       -0.02565   0.00006  -0.01008   0.00348  -0.00666  -0.03231
   D41       -3.13877   0.00008   0.00280   0.00772   0.01033  -3.12844
   D42        0.03452   0.00008   0.00470   0.00274   0.00735   0.04187
   D43        0.01227  -0.00005  -0.00595   0.00442  -0.00164   0.01063
   D44       -3.09762  -0.00004  -0.00406  -0.00056  -0.00462  -3.10224
   D45        0.02852   0.00013   0.03223   0.00182   0.03375   0.06227
   D46       -3.09625  -0.00025   0.02967  -0.00783   0.02190  -3.07435
   D47       -3.11065   0.00013   0.03244   0.00318   0.03550  -3.07515
   D48        0.04777  -0.00025   0.02988  -0.00647   0.02364   0.07141
   D49        0.02066   0.00001   0.02012  -0.00923   0.01092   0.03158
   D50       -3.09501  -0.00076  -0.02250  -0.00229  -0.02474  -3.11975
   D51       -3.12336   0.00001   0.01993  -0.01057   0.00917  -3.11420
   D52        0.04416  -0.00077  -0.02269  -0.00363  -0.02650   0.01766
   D53       -0.03041  -0.00003  -0.01837  -0.00147  -0.01953  -0.04993
   D54        3.12002  -0.00013  -0.01273  -0.00418  -0.01611   3.10391
   D55        3.09496   0.00040  -0.01624   0.00816  -0.00802   3.08693
   D56       -0.03781   0.00030  -0.01060   0.00545  -0.00460  -0.04241
   D57       -3.09451  -0.00032  -0.00569   0.00046  -0.00560  -3.10011
   D58        0.13519   0.00008   0.00306  -0.01933  -0.01585   0.11934
   D59        0.18059  -0.00007  -0.04521   0.01787  -0.02445   0.15614
   D60        0.06352  -0.00071  -0.00806  -0.00905  -0.01723   0.04629
   D61       -2.98998  -0.00031   0.00069  -0.02884  -0.02748  -3.01745
   D62       -2.94457  -0.00046  -0.04757   0.00836  -0.03607  -2.98064
   D63        3.14158   0.00004   0.02143  -0.00333   0.01859  -3.12301
   D64       -0.00874   0.00015   0.01589  -0.00059   0.01519   0.00645
   D65        0.00675  -0.00003   0.01211  -0.00640   0.00570   0.01246
   D66       -3.13387  -0.00006   0.00989  -0.00720   0.00271  -3.13116
   D67        3.11719  -0.00004   0.01011  -0.00148   0.00857   3.12577
   D68       -0.02343  -0.00007   0.00788  -0.00228   0.00558  -0.01785
   D69       -0.01251   0.00012  -0.00206   0.00059  -0.00141  -0.01393
   D70        3.10794   0.00002   0.00124  -0.00403  -0.00276   3.10518
   D71        3.12811   0.00015   0.00016   0.00139   0.00159   3.12969
   D72       -0.03462   0.00006   0.00346  -0.00323   0.00024  -0.03438
   D73        2.48751   0.00020   0.01422   0.00969   0.02390   2.51141
   D74       -0.65563   0.00021   0.01534   0.01024   0.02556  -0.63007
   D75       -0.65309   0.00016   0.01193   0.00887   0.02082  -0.63227
   D76        2.48696   0.00018   0.01305   0.00941   0.02248   2.50943
   D77       -0.00118  -0.00011  -0.01404   0.00712  -0.00686  -0.00805
   D78        3.11504   0.00065   0.02762   0.00050   0.02803  -3.14011
   D79       -3.12174  -0.00003  -0.01737   0.01167  -0.00560  -3.12734
   D80       -0.00552   0.00073   0.02430   0.00505   0.02929   0.02377
   D81       -0.04337   0.00063   0.02033   0.00754   0.02731  -0.01606
   D82        3.08393   0.00082   0.02531   0.01030   0.03467   3.11860
   D83        3.01968   0.00021   0.00993   0.02468   0.03538   3.05506
   D84       -0.13620   0.00040   0.01491   0.02743   0.04273  -0.09347
   D85        2.99253   0.00041   0.04343  -0.00574   0.04137   3.03390
   D86       -0.16335   0.00059   0.04840  -0.00299   0.04873  -0.11462
   D87       -0.00528  -0.00026  -0.01448  -0.00299  -0.01682  -0.02210
   D88       -3.13273  -0.00017  -0.00476  -0.00506  -0.00981   3.14064
   D89       -3.13290  -0.00042  -0.01932  -0.00567  -0.02397   3.12631
   D90        0.02283  -0.00034  -0.00960  -0.00773  -0.01696   0.00587
   D91       -3.13958   0.00010   0.00464   0.00201   0.00660  -3.13298
   D92       -0.01173   0.00037   0.00989   0.00494   0.01499   0.00326
   D93       -0.01249   0.00028   0.00957   0.00484   0.01402   0.00152
   D94        3.11535   0.00055   0.01482   0.00777   0.02241   3.13776
   D95        0.03001  -0.00010  -0.00352  -0.00046  -0.00408   0.02592
   D96       -3.12575  -0.00019  -0.01326   0.00160  -0.01121  -3.13696
   D97       -0.01499   0.00014   0.00511   0.00361   0.00856  -0.00643
   D98        3.09486   0.00021   0.00254   0.00857   0.01115   3.10601
   D99        3.14053   0.00023   0.01467   0.00163   0.01557  -3.12709
   D100      -0.03281   0.00030   0.01209   0.00659   0.01815  -0.01465
   D101      -0.00589  -0.00002  -0.00509   0.00221  -0.00273  -0.00862
   D102       3.10013   0.00013   0.00219   0.00468   0.00711   3.10724
   D103      -3.13330  -0.00029  -0.01051  -0.00079  -0.01135   3.13854
   D104      -0.02727  -0.00014  -0.00323   0.00168  -0.00152  -0.02879
   D105       0.01375  -0.00018   0.00055  -0.00630  -0.00565   0.00810
   D106      -3.13094  -0.00012   0.00490  -0.00725  -0.00238  -3.13332
   D107      -3.09236  -0.00033  -0.00709  -0.00864  -0.01552  -3.10788
   D108       0.04614  -0.00027  -0.00274  -0.00958  -0.01225   0.03388
   D109      -0.00286   0.00011  -0.00051   0.00320   0.00257  -0.00029
   D110      -3.11125   0.00005   0.00209  -0.00200  -0.00020  -3.11145
   D111      -3.14132   0.00005  -0.00489   0.00414  -0.00074   3.14113
   D112       0.03348  -0.00001  -0.00229  -0.00105  -0.00351   0.02997
   D113       0.61716  -0.00005   0.04874  -0.01473   0.03409   0.65125
   D114      -2.52867  -0.00004   0.04834  -0.01459   0.03384  -2.49483
   D115      -2.52764   0.00002   0.05326  -0.01570   0.03747  -2.49017
   D116       0.60972   0.00002   0.05286  -0.01556   0.03721   0.64693
   D117      -3.13336   0.00009   0.00314   0.00094   0.00408  -3.12928
   D118      -0.02946  -0.00005   0.00167  -0.00164   0.00003  -0.02943
   D119       0.01014   0.00006   0.00339  -0.00062   0.00277   0.01291
   D120       3.11404  -0.00008   0.00193  -0.00321  -0.00128   3.11276
   D121      -3.13711   0.00004   0.00295  -0.00132   0.00163  -3.13548
   D122      -0.03573  -0.00008   0.00082  -0.00276  -0.00193  -0.03767
   D123       0.00257   0.00007   0.00269   0.00025   0.00294   0.00551
   D124       3.10395  -0.00006   0.00056  -0.00119  -0.00062   3.10333
   D125      -3.13211   0.00007   0.00467  -0.00039   0.00427  -3.12783
   D126      -0.02777  -0.00006   0.00166  -0.00186  -0.00019  -0.02796
   D127       0.01098   0.00006   0.00358  -0.00091   0.00267   0.01365
   D128       3.11532  -0.00007   0.00058  -0.00239  -0.00180   3.11352
   D129      -3.13670   0.00005   0.00110  -0.00027   0.00083  -3.13587
   D130      -0.03689  -0.00010  -0.00028  -0.00287  -0.00315  -0.04004
   D131       0.00339   0.00006   0.00218   0.00026   0.00244   0.00583
   D132       3.10319  -0.00008   0.00080  -0.00234  -0.00153   3.10166
   D133       3.12615  -0.00003  -0.00376   0.00169  -0.00207   3.12408
   D134       0.03850  -0.00018  -0.00753  -0.00396  -0.01145   0.02705
   D135      -0.01135  -0.00004  -0.00336   0.00155  -0.00180  -0.01315
   D136      -3.09900  -0.00019  -0.00713  -0.00410  -0.01118  -3.11018
   D137      -3.13836  -0.00010  -0.00205  -0.00162  -0.00366   3.14116
   D138       0.05564  -0.00023  -0.00648  -0.00610  -0.01253   0.04311
   D139      -0.00087  -0.00009  -0.00246  -0.00147  -0.00393  -0.00480
   D140      -3.09005  -0.00022  -0.00690  -0.00595  -0.01280  -3.10285
   D141      -0.01561  -0.00013  -0.00630   0.00100  -0.00530  -0.02090
   D142       3.10070   0.00012  -0.00468   0.00248  -0.00224   3.09846
   D143      -3.11999  -0.00000  -0.00332   0.00238  -0.00090  -3.12090
   D144      -0.00369   0.00024  -0.00170   0.00387   0.00216  -0.00153
   D145       0.00568   0.00007   0.00322  -0.00043   0.00278   0.00847
   D146      -3.13379   0.00007   0.00307  -0.00048   0.00258  -3.13121
   D147      -3.11085  -0.00017   0.00158  -0.00183  -0.00028  -3.11113
   D148       0.03286  -0.00017   0.00143  -0.00188  -0.00048   0.03237
   D149       0.00847   0.00005   0.00248  -0.00020   0.00227   0.01074
   D150      -3.10422  -0.00018   0.00096  -0.00163  -0.00071  -3.10493
   D151      -3.13524   0.00006   0.00263  -0.00016   0.00247  -3.13276
   D152       0.03525  -0.00018   0.00112  -0.00159  -0.00050   0.03475
   D153       1.04387  -0.00087  -0.04817  -0.02255  -0.07072   0.97315
   D154      -2.10396  -0.00084  -0.04727  -0.02185  -0.06913  -2.17308
   D155      -2.09558  -0.00087  -0.04833  -0.02260  -0.07093  -2.16651
   D156       1.03978  -0.00085  -0.04743  -0.02190  -0.06933   0.97044
   D157      -0.01310  -0.00012  -0.00521   0.00028  -0.00492  -0.01802
   D158      -3.11299   0.00001  -0.00384   0.00279  -0.00102  -3.11401
   D159       3.09931   0.00011  -0.00373   0.00181  -0.00197   3.09735
   D160      -0.00058   0.00025  -0.00236   0.00432   0.00194   0.00135
   D161      -0.01424  -0.00012  -0.00618   0.00074  -0.00544  -0.01968
   D162       3.10148   0.00012  -0.00406   0.00218  -0.00193   3.09955
   D163      -3.11818   0.00000  -0.00473   0.00324  -0.00146  -3.11965
   D164      -0.00247   0.00025  -0.00261   0.00468   0.00205  -0.00042
   D165       0.00545   0.00006   0.00287  -0.00048   0.00238   0.00783
   D166      -3.13474   0.00005   0.00273  -0.00086   0.00187  -3.13288
   D167      -3.11052  -0.00019   0.00073  -0.00184  -0.00114  -3.11167
   D168       0.03247  -0.00019   0.00059  -0.00221  -0.00165   0.03082
   D169       0.00707   0.00007   0.00313   0.00013   0.00326   0.01033
   D170      -3.10597  -0.00019   0.00133  -0.00239  -0.00109  -3.10706
   D171      -3.13592   0.00008   0.00327   0.00050   0.00377  -3.13216
   D172       0.03423  -0.00019   0.00147  -0.00202  -0.00058   0.03364
   D173      -2.06927  -0.00091  -0.04671  -0.02510  -0.07181  -2.14108
   D174       1.07219  -0.00091  -0.04662  -0.02538  -0.07200   1.00019
   D175       1.07374  -0.00092  -0.04685  -0.02547  -0.07233   1.00141
   D176      -2.06799  -0.00092  -0.04676  -0.02575  -0.07251  -2.14051
   D177      -0.01115  -0.00014  -0.00596  -0.00002  -0.00597  -0.01712
   D178      -3.11258  -0.00002  -0.00385   0.00134  -0.00248  -3.11505
   D179       3.10160   0.00013  -0.00418   0.00261  -0.00162   3.09998
   D180       0.00017   0.00024  -0.00208   0.00397   0.00188   0.00205
   D181       0.01454   0.00013   0.00589  -0.00046   0.00540   0.01994
   D182      -3.09954  -0.00017   0.00252  -0.00304  -0.00051  -3.10005
   D183       3.10255   0.00028   0.00924   0.00532   0.01459   3.11713
   D184      -0.01154  -0.00001   0.00587   0.00274   0.00868  -0.00286
   D185      -0.00528  -0.00008  -0.00260  -0.00072  -0.00332  -0.00860
   D186       3.13357  -0.00008  -0.00250  -0.00053  -0.00302   3.13054
   D187       3.10902   0.00021   0.00080   0.00177   0.00261   3.11162
   D188      -0.03532   0.00022   0.00090   0.00196   0.00290  -0.03242
   D189      -0.00676  -0.00005  -0.00315   0.00080  -0.00235  -0.00911
   D190       3.10357   0.00025   0.00082   0.00302   0.00388   3.10745
   D191       3.13758  -0.00006  -0.00325   0.00061  -0.00265   3.13493
   D192      -0.03528   0.00024   0.00072   0.00282   0.00358  -0.03169
   D193       2.11599   0.00086   0.05183   0.02117   0.07300   2.18900
   D194      -1.03060   0.00087   0.05201   0.02151   0.07352  -0.95708
   D195      -1.02837   0.00087   0.05194   0.02136   0.07331  -0.95507
   D196       2.10822   0.00088   0.05212   0.02170   0.07382   2.18204
   D197       0.00988   0.00014   0.00573   0.00032   0.00603   0.01591
   D198       3.09924   0.00027   0.00978   0.00490   0.01470   3.11394
   D199      -3.10018  -0.00015   0.00179  -0.00199  -0.00018  -3.10037
   D200      -0.01082  -0.00002   0.00584   0.00258   0.00849  -0.00233
   D201       3.14064  -0.00000  -0.00055   0.00010  -0.00045   3.14020
   D202       0.02304  -0.00008   0.00731  -0.00086   0.00644   0.02948
   D203      -0.00083  -0.00000  -0.00063   0.00034  -0.00029  -0.00112
   D204      -3.11844  -0.00008   0.00723  -0.00061   0.00660  -3.11184
   D205       3.14086   0.00001  -0.00057   0.00070   0.00014   3.14100
   D206       0.02313  -0.00007   0.00727  -0.00046   0.00680   0.02994
   D207      -0.00085   0.00000  -0.00048   0.00046  -0.00003  -0.00087
   D208      -3.11858  -0.00008   0.00736  -0.00070   0.00664  -3.11193
   D209       3.13609   0.00001  -0.00012   0.00081   0.00068   3.13677
   D210       0.01951  -0.00005   0.00791   0.00038   0.00828   0.02779
   D211      -0.00017  -0.00001  -0.00090   0.00021  -0.00069  -0.00086
   D212      -3.11675  -0.00007   0.00714  -0.00022   0.00690  -3.10985
   D213      -3.13780  -0.00001  -0.00094  -0.00031  -0.00125  -3.13904
   D214       0.02956  -0.00007   0.00730  -0.00050   0.00679   0.03635
   D215      -0.00153   0.00000  -0.00016   0.00029   0.00013  -0.00141
   D216      -3.11736  -0.00005   0.00808   0.00010   0.00816  -3.10920
   D217       3.13874   0.00000   0.00053  -0.00006   0.00046   3.13921
   D218      -0.02915   0.00006  -0.00758  -0.00010  -0.00767  -0.03683
   D219       0.00143  -0.00000   0.00037  -0.00035   0.00002   0.00144
   D220       3.11671   0.00005  -0.00774  -0.00039  -0.00812   3.10859
   D221      -3.13681  -0.00001   0.00047  -0.00057  -0.00010  -3.13691
   D222      -0.02117   0.00005  -0.00790  -0.00044  -0.00833  -0.02950
   D223       0.00051   0.00000   0.00063  -0.00028   0.00035   0.00086
   D224       3.11615   0.00006  -0.00774  -0.00015  -0.00788   3.10827
   D225       0.00175   0.00001   0.00157  -0.00061   0.00097   0.00272
   D226      -3.13955   0.00010   0.00024   0.00255   0.00284  -3.13672
   D227       3.12067   0.00005  -0.00576  -0.00016  -0.00596   3.11471
   D228      -0.02064   0.00014  -0.00709   0.00299  -0.00409  -0.02473
   D229       3.13119  -0.00003  -0.00393  -0.00081  -0.00473   3.12646
   D230       0.00250  -0.00021  -0.00478  -0.00372  -0.00852  -0.00603
   D231       0.01738  -0.00009   0.00502  -0.00131   0.00372   0.02110
   D232      -3.11131  -0.00027   0.00416  -0.00422  -0.00008  -3.11139
   D233      -0.00264  -0.00000  -0.00165   0.00077  -0.00088  -0.00352
   D234       3.13858  -0.00012  -0.00061  -0.00327  -0.00387   3.13471
   D235       3.13861  -0.00011  -0.00012  -0.00302  -0.00312   3.13548
   D236      -0.00335  -0.00023   0.00091  -0.00707  -0.00612  -0.00947
   D237       0.00780  -0.00005   0.00437  -0.00175   0.00261   0.01040
   D238      -3.13683  -0.00008   0.00169  -0.00228  -0.00060  -3.13743
   D239      -3.13342   0.00006   0.00266   0.00242   0.00508  -3.12834
   D240       0.00513   0.00004  -0.00001   0.00189   0.00187   0.00700
   D241       0.00259   0.00000   0.00113  -0.00066   0.00047   0.00305
   D242       3.12083   0.00004  -0.00639  -0.00042  -0.00686   3.11397
   D243      -3.13870   0.00010   0.00020   0.00271   0.00296  -3.13574
   D244      -0.02046   0.00013  -0.00731   0.00294  -0.00437  -0.02482
   D245      -3.13339   0.00007   0.00329   0.00265   0.00593  -3.12746
   D246       0.00456   0.00005   0.00033   0.00225   0.00258   0.00714
   D247       0.00779  -0.00006   0.00445  -0.00180   0.00264   0.01044
   D248      -3.13744  -0.00008   0.00150  -0.00220  -0.00071  -3.13815
   D249       3.13012  -0.00003  -0.00401  -0.00098  -0.00498   3.12514
   D250       0.00200  -0.00019  -0.00407  -0.00373  -0.00782  -0.00582
   D251       0.01714  -0.00008   0.00515  -0.00122   0.00395   0.02110
   D252      -3.11098  -0.00025   0.00510  -0.00397   0.00111  -3.10987
   D253       0.00213  -0.00000   0.00146  -0.00098   0.00048   0.00261
   D254      -3.13965   0.00009   0.00034   0.00236   0.00274  -3.13691
   D255       3.12197   0.00005  -0.00571  -0.00006  -0.00581   3.11616
   D256      -0.01982   0.00015  -0.00682   0.00328  -0.00355  -0.02336
   D257       3.13146  -0.00001  -0.00402  -0.00027  -0.00428   3.12717
   D258       0.00295  -0.00020  -0.00467  -0.00348  -0.00817  -0.00522
   D259       0.01651  -0.00009   0.00472  -0.00136   0.00338   0.01989
   D260      -3.11199  -0.00028   0.00408  -0.00457  -0.00050  -3.11250
   D261      -0.00260   0.00000  -0.00173   0.00124  -0.00049  -0.00309
   D262       3.13930  -0.00011  -0.00050  -0.00263  -0.00312   3.13619
   D263       3.13922  -0.00011  -0.00045  -0.00278  -0.00321   3.13601
   D264      -0.00206  -0.00022   0.00077  -0.00665  -0.00584  -0.00790
   D265       0.00764  -0.00006   0.00432  -0.00210   0.00220   0.00984
   D266      -3.13715  -0.00008   0.00156  -0.00236  -0.00081  -3.13797
   D267      -3.13421   0.00006   0.00289   0.00231   0.00520  -3.12902
   D268       0.00418   0.00004   0.00013   0.00205   0.00218   0.00636
   D269       0.00214  -0.00000   0.00137  -0.00105   0.00032   0.00246
   D270       3.12209   0.00005  -0.00578   0.00005  -0.00578   3.11632
   D271      -3.13971   0.00009   0.00029   0.00217   0.00250  -3.13721
   D272      -0.01976   0.00015  -0.00686   0.00327  -0.00359  -0.02335
   D273      -3.13427   0.00006   0.00299   0.00208   0.00507  -3.12920
   D274       0.00409   0.00004   0.00011   0.00200   0.00211   0.00620
   D275       0.00767  -0.00006   0.00437  -0.00218   0.00218   0.00985
   D276      -3.13716  -0.00008   0.00149  -0.00226  -0.00078  -3.13794
   D277       3.13149  -0.00001  -0.00403   0.00005  -0.00396   3.12752
   D278       0.00288  -0.00019  -0.00449  -0.00325  -0.00776  -0.00489
   D279       0.01641  -0.00009   0.00470  -0.00126   0.00346   0.01987
   D280      -3.11220  -0.00027   0.00424  -0.00456  -0.00034  -3.11254
   D281      -0.00274   0.00000  -0.00119   0.00083  -0.00036  -0.00311
   D282       3.13834  -0.00009  -0.00019  -0.00249  -0.00273   3.13561
   D283      -3.12050  -0.00003   0.00621   0.00080   0.00705  -3.11345
   D284       0.02059  -0.00013   0.00720  -0.00252   0.00468   0.02527
   D285      -3.12977   0.00003   0.00384   0.00092   0.00475  -3.12502
   D286      -0.00189   0.00020   0.00438   0.00357   0.00797   0.00608
   D287      -0.01740   0.00008  -0.00518   0.00090  -0.00430  -0.02170
   D288       3.11048   0.00025  -0.00465   0.00355  -0.00108   3.10940
   D289       0.00300  -0.00000   0.00155  -0.00098   0.00057   0.00357
   D290      -3.13795   0.00011   0.00045   0.00298   0.00340  -3.13455
   D291      -3.13798   0.00011   0.00043   0.00300   0.00341  -3.13457
   D292       0.00426   0.00023  -0.00068   0.00696   0.00625   0.01051
   D293      -0.00769   0.00005  -0.00429   0.00158  -0.00270  -0.01040
   D294       3.13755   0.00008  -0.00155   0.00207   0.00053   3.13808
   D295       3.13322  -0.00007  -0.00303  -0.00281  -0.00583   3.12739
   D296      -0.00472  -0.00005  -0.00029  -0.00231  -0.00260  -0.00732
   D297      -0.00218  -0.00000  -0.00135   0.00079  -0.00056  -0.00275
   D298      -3.12025  -0.00004   0.00629   0.00060   0.00693  -3.11332
   D299       3.13888  -0.00010  -0.00037  -0.00251  -0.00292   3.13595
   D300       0.02081  -0.00013   0.00726  -0.00269   0.00457   0.02538
   D301       3.13300  -0.00007  -0.00306  -0.00274  -0.00580   3.12719
   D302      -0.00530  -0.00004  -0.00037  -0.00212  -0.00249  -0.00780
   D303      -0.00789   0.00005  -0.00430   0.00161  -0.00268  -0.01057
   D304       3.13699   0.00008  -0.00161   0.00223   0.00063   3.13762
   D305      -3.13025   0.00003   0.00403   0.00092   0.00494  -3.12531
   D306      -0.00195   0.00020   0.00471   0.00355   0.00828   0.00633
   D307      -0.01750   0.00008  -0.00529   0.00110  -0.00420  -0.02169
   D308       3.11081   0.00025  -0.00461   0.00373  -0.00086   3.10995
   D309       0.00723  -0.00007   0.00023  -0.00092  -0.00070   0.00653
   D310       3.14067   0.00004   0.00338  -0.00043   0.00296  -3.13956
   D311      -3.13071  -0.00004   0.00319  -0.00052   0.00266  -3.12805
   D312       0.00273   0.00006   0.00635  -0.00003   0.00632   0.00905
   D313      -0.01050   0.00012  -0.00236   0.00271   0.00035  -0.01014
   D314       3.13122   0.00006   0.00027  -0.00050  -0.00024   3.13098
   D315       3.13921   0.00001  -0.00551   0.00223  -0.00328   3.13593
   D316      -0.00225  -0.00004  -0.00289  -0.00099  -0.00387  -0.00613
   D317      -0.00175  -0.00004  -0.00034  -0.00161  -0.00193  -0.00368
   D318       3.12643   0.00012  -0.00026   0.00116   0.00088   3.12732
   D319       3.13972   0.00002  -0.00294   0.00159  -0.00134   3.13838
   D320      -0.01528   0.00018  -0.00286   0.00436   0.00147  -0.01381
   D321      -0.00188  -0.00004  -0.00042  -0.00157  -0.00197  -0.00384
   D322       3.13897   0.00001  -0.00360   0.00168  -0.00190   3.13707
   D323       3.12688   0.00014   0.00046   0.00135   0.00179   3.12868
   D324      -0.01546   0.00019  -0.00272   0.00460   0.00186  -0.01360
   D325      -0.01053   0.00012  -0.00213   0.00276   0.00063  -0.00990
   D326       3.13853   0.00001  -0.00595   0.00244  -0.00351   3.13502
   D327       3.13182   0.00007   0.00107  -0.00051   0.00056   3.13237
   D328      -0.00231  -0.00004  -0.00275  -0.00083  -0.00358  -0.00589
   D329       0.00733  -0.00007   0.00009  -0.00102  -0.00093   0.00640
   D330      -3.13121  -0.00005   0.00278  -0.00049   0.00228  -3.12893
   D331       3.14142   0.00004   0.00391  -0.00069   0.00323  -3.13854
   D332       0.00288   0.00006   0.00659  -0.00016   0.00643   0.00931
   D333       0.00684  -0.00007  -0.00003  -0.00077  -0.00080   0.00604
   D334       3.14081   0.00004   0.00358  -0.00031   0.00328  -3.13909
   D335      -3.13150  -0.00005   0.00286  -0.00069   0.00216  -3.12934
   D336       0.00247   0.00006   0.00647  -0.00023   0.00624   0.00871
   D337      -0.01016   0.00012  -0.00211   0.00285   0.00075  -0.00941
   D338       3.13187   0.00007   0.00080  -0.00036   0.00044   3.13230
   D339       3.13903   0.00002  -0.00572   0.00240  -0.00332   3.13571
   D340      -0.00213  -0.00004  -0.00281  -0.00081  -0.00363  -0.00576
   D341      -0.00152  -0.00004  -0.00024  -0.00180  -0.00202  -0.00354
   D342       3.12715   0.00014   0.00025   0.00152   0.00175   3.12890
   D343       3.13964   0.00002  -0.00312   0.00139  -0.00171   3.13794
   D344      -0.01488   0.00019  -0.00263   0.00471   0.00206  -0.01282
   D345      -0.00159  -0.00004  -0.00030  -0.00169  -0.00197  -0.00356
   D346       3.13950   0.00002  -0.00316   0.00157  -0.00157   3.13793
   D347       3.12697   0.00014   0.00037   0.00154   0.00188   3.12885
   D348      -0.01513   0.00020  -0.00249   0.00479   0.00228  -0.01285
   D349      -0.01018   0.00013  -0.00206   0.00282   0.00076  -0.00942
   D350       3.13893   0.00002  -0.00572   0.00248  -0.00324   3.13569
   D351       3.13193   0.00007   0.00082  -0.00046   0.00036   3.13228
   D352      -0.00215  -0.00004  -0.00284  -0.00080  -0.00364  -0.00579
   D353       0.00691  -0.00007  -0.00002  -0.00083  -0.00085   0.00606
   D354      -3.13147  -0.00005   0.00275  -0.00057   0.00216  -3.12930
   D355       3.14096   0.00004   0.00365  -0.00048   0.00317  -3.13906
   D356       0.00257   0.00006   0.00641  -0.00022   0.00618   0.00876
   D357      -0.00736   0.00007  -0.00030   0.00092   0.00063  -0.00673
   D358      -3.14130  -0.00004  -0.00387   0.00072  -0.00316   3.13873
   D359       3.13093   0.00004  -0.00300   0.00030  -0.00269   3.12824
   D360      -0.00301  -0.00006  -0.00657   0.00010  -0.00647  -0.00948
   D361       0.01062  -0.00012   0.00224  -0.00257  -0.00034   0.01029
   D362      -3.13166  -0.00006  -0.00073   0.00073   0.00001  -3.13165
   D363      -3.13859  -0.00002   0.00581  -0.00238   0.00343  -3.13516
   D364       0.00231   0.00004   0.00284   0.00093   0.00378   0.00608
   D365       0.00186   0.00004   0.00056   0.00153   0.00207   0.00393
   D366      -3.12651  -0.00013  -0.00015  -0.00111  -0.00124  -3.12775
   D367      -3.13904  -0.00002   0.00350  -0.00176   0.00173  -3.13732
   D368       0.01577  -0.00019   0.00280  -0.00440  -0.00158   0.01419
   D369       0.00191   0.00004   0.00045   0.00162   0.00206   0.00397
   D370      -3.13970  -0.00002   0.00326  -0.00150   0.00175  -3.13794
   D371      -3.12604  -0.00013  -0.00011  -0.00104  -0.00113  -3.12717
   D372       0.01554  -0.00018   0.00270  -0.00416  -0.00143   0.01411
   D373       0.01055  -0.00012   0.00230  -0.00253  -0.00023   0.01032
   D374      -3.13922  -0.00001   0.00567  -0.00219   0.00348  -3.13574
   D375      -3.13103  -0.00006  -0.00054   0.00061   0.00008  -3.13095
   D376       0.00239   0.00004   0.00284   0.00095   0.00378   0.00617
   D377      -0.00742   0.00007  -0.00031   0.00085   0.00054  -0.00688
   D378       3.13051   0.00004  -0.00306   0.00036  -0.00270   3.12782
   D379      -3.14080  -0.00004  -0.00368   0.00050  -0.00319   3.13920
   D380      -0.00287  -0.00006  -0.00644   0.00001  -0.00642  -0.00929
         Item               Value     Threshold  Converged?
 Maximum Force            0.003269     0.000450     NO 
 RMS     Force            0.000445     0.000300     NO 
 Maximum Displacement     1.071593     0.001800     NO 
 RMS     Displacement     0.147043     0.001200     NO 
 Predicted change in Energy=-6.812260D-04
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C74H46ClN5
 Framework group  C1[X(C74H46ClN5)]
 Deg. of freedom   372
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        1.260731    2.455403   -0.077985
      2          6           0        1.599666    1.101299   -0.042549
      3          6           0        0.631349    0.081580   -0.025032
      4          6           0       -0.731387    0.460715   -0.049635
      5          6           0       -1.078572    1.823642   -0.088210
      6          6           0       -0.106010    2.803384   -0.101456
      7          6           0        0.992478   -1.346830   -0.005924
      8          6           0       -0.018481   -2.351098    0.003803
      9          6           0       -1.414643   -1.948528    0.033651
     10          6           0       -1.779321   -0.555329   -0.023908
     11          6           0        2.333766   -1.760724    0.000136
     12          6           0        2.707594   -3.106725    0.002687
     13          6           0        1.687677   -4.079489   -0.016508
     14          6           0        0.357193   -3.711932   -0.020740
     15          7           0       -2.415210   -2.841542    0.120655
     16          6           0       -3.728801   -2.473382    0.101474
     17          6           0       -4.031577   -1.081796    0.004230
     18          7           0       -3.045368   -0.158459   -0.040894
     19          6           0       -4.771625   -3.427028    0.166396
     20          6           0       -6.071842   -2.984584    0.131984
     21          6           0       -6.411028   -1.596381    0.043439
     22          6           0       -5.386158   -0.669101   -0.019074
     23          6           0        2.313616    3.501148   -0.093907
     24          6           0        4.136870   -3.499940    0.022378
     25          6           0       -7.830803   -1.176246    0.020404
     26          6           0        4.560938   -4.633092    0.738017
     27          6           0        5.901656   -5.000484    0.775650
     28          6           0        6.856199   -4.253704    0.073610
     29          6           0        6.447385   -3.130237   -0.656052
     30          6           0        5.107995   -2.756322   -0.669899
     31          6           0        2.160065    4.668980   -0.860477
     32          6           0        3.149405    5.646270   -0.891184
     33          6           0        4.315757    5.490400   -0.132257
     34          6           0        4.477963    4.338933    0.647641
     35          6           0        3.493246    3.356345    0.655826
     36          6           0       -8.794646   -1.840804    0.797898
     37          6           0      -10.125117   -1.435505    0.794224
     38          6           0      -10.532165   -0.363631   -0.010372
     39          6           0       -9.584629    0.299914   -0.800860
     40          6           0       -8.252528   -0.097789   -0.775656
     41          7           0        5.323626    6.490924   -0.152630
     42          7           0        8.223876   -4.632565    0.099109
     43          7           0      -11.890620    0.044451   -0.027319
     44          6           0        8.736333   -5.886923   -0.265570
     45          6           0       10.145162   -5.871231   -0.109589
     46          6           0       10.501348   -4.552315    0.373617
     47          6           0        9.295555   -3.815486    0.488250
     48          6           0        6.665387    6.297627   -0.511990
     49          6           0        7.352468    7.533319   -0.407257
     50          6           0        6.385608    8.516603    0.038094
     51          6           0        5.147496    7.841249    0.182756
     52          6           0      -12.362203    1.341567    0.226034
     53          6           0      -13.775100    1.347820    0.111299
     54          6           0      -14.176732   -0.002022   -0.230136
     55          6           0      -12.993188   -0.778388   -0.305237
     56          6           0       11.714350   -3.944951    0.715724
     57          6           0       11.709922   -2.630991    1.174369
     58          6           0       10.503955   -1.923031    1.301020
     59          6           0        9.282010   -2.502118    0.963552
     60          6           0        8.064938   -7.011486   -0.750805
     61          6           0        8.826728   -8.137823   -1.055992
     62          6           0       10.220910   -8.147064   -0.888446
     63          6           0       10.885012   -7.017433   -0.420061
     64          6           0        6.460754    9.884219    0.323665
     65          6           0        5.318180   10.550839    0.755945
     66          6           0        4.104811    9.861335    0.911827
     67          6           0        4.000545    8.500276    0.630990
     68          6           0        7.306793    5.136775   -0.949935
     69          6           0        8.662373    5.224826   -1.261215
     70          6           0        9.363576    6.435924   -1.145011
     71          6           0        8.714283    7.592171   -0.722802
     72          6           0      -15.413903   -0.606744   -0.477368
     73          6           0      -15.454708   -1.958570   -0.805082
     74          6           0      -14.270384   -2.707444   -0.895380
     75          6           0      -13.025215   -2.131456   -0.650312
     76          6           0      -11.651088    2.490059    0.581352
     77          6           0      -12.376943    3.660263    0.796203
     78          6           0      -13.774723    3.689666    0.666525
     79          6           0      -14.478399    2.537472    0.328897
     80          1           0       -2.260582   -3.938912    0.286810
     81          1           0        2.650934    0.844687   -0.056854
     82          1           0       -2.130895    2.081439   -0.095112
     83          1           0       -0.392935    3.849808   -0.104204
     84          1           0        3.119696   -1.017673    0.030051
     85          1           0        1.944268   -5.132738   -0.049308
     86          1           0       -0.396932   -4.495642   -0.034338
     87          1           0       -4.514605   -4.480059    0.236362
     88          1           0       -6.875463   -3.713391    0.148896
     89          1           0       -5.582842    0.396362   -0.059354
     90          1           0        3.836778   -5.211072    1.303295
     91          1           0        6.221182   -5.853620    1.363857
     92          1           0        7.180739   -2.571915   -1.227422
     93          1           0        4.804062   -1.898161   -1.261411
     94          1           0        1.271057    4.795288   -1.470560
     95          1           0        3.036188    6.524814   -1.516906
     96          1           0        5.366476    4.233082    1.260426
     97          1           0        3.622715    2.481093    1.285000
     98          1           0       -8.491254   -2.658430    1.444406
     99          1           0      -10.852346   -1.931509    1.427408
    100          1           0       -9.905144    1.108952   -1.447854
    101          1           0       -7.532926    0.407759   -1.412309
    102          1           0       12.646393   -4.496392    0.629827
    103          1           0       12.644915   -2.148153    1.441158
    104          1           0       10.519817   -0.901591    1.670164
    105          1           0        8.353617   -1.953839    1.076388
    106          1           0        6.990420   -7.008431   -0.894190
    107          1           0        8.327171   -9.026379   -1.430899
    108          1           0       10.783252   -9.043628   -1.130147
    109          1           0       11.964912   -7.021223   -0.301733
    110          1           0        7.401787   10.415868    0.214180
    111          1           0        5.363144   11.612417    0.978456
    112          1           0        3.226030   10.397316    1.258610
    113          1           0        3.063423    7.971775    0.764753
    114          1           0        6.768771    4.201202   -1.053100
    115          1           0        9.184799    4.335113   -1.600752
    116          1           0       10.420537    6.468251   -1.390473
    117          1           0        9.254810    8.531217   -0.644068
    118          1           0      -16.329402   -0.024783   -0.419712
    119          1           0      -16.408599   -2.440083   -0.996583
    120          1           0      -14.321629   -3.759202   -1.161512
    121          1           0      -12.114743   -2.713703   -0.734658
    122          1           0      -10.573316    2.472542    0.696461
    123          1           0      -11.846098    4.567415    1.070140
    124          1           0      -14.308851    4.619482    0.835701
    125          1           0      -15.561003    2.557670    0.241155
    126         17           0       -2.334781   -5.713877    0.624668
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           0.0229679           0.0074924           0.0056960
 Standard basis: 6-31G(d,p) (6D, 7F)
 There are  1434 symmetry adapted cartesian basis functions of A   symmetry.
 There are  1434 symmetry adapted basis functions of A   symmetry.
  1434 basis functions,  2586 primitive gaussians,  1434 cartesian basis functions
   271 alpha electrons      271 beta electrons
       nuclear repulsion energy     10547.7921034302 Hartrees.
 NAtoms=  126 NActive=  126 NUniq=  126 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=T Big=T
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 One-electron integrals computed using PRISM.
 NBasis=  1434 RedAO= T EigKep=  1.52D-04  NBF=  1434
 NBsUse=  1434 1.00D-06 EigRej= -1.00D+00 NBFU=  1434
 Initial guess from the checkpoint file:  "ph.chk"
 B after Tr=     0.000000    0.000000   -0.000000
         Rot=    1.000000    0.000971    0.000037   -0.000156 Ang=   0.11 deg.
 ExpMin= 1.43D-01 ExpMax= 2.52D+04 ExpMxC= 3.78D+03 IAcc=2 IRadAn=         4 AccDes= 0.00D+00
 Harris functional with IExCor=  402 and IRadAn=       4 diagonalized for initial guess.
 HarFok:  IExCor=  402 AccDes= 0.00D+00 IRadAn=         4 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=        2001
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Petite list used in FoFCou.
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Integral accuracy reduced to 1.0D-05 until final iterations.
 Initial convergence to 1.0D-05 achieved.  Increase integral accuracy.
 SCF Done:  E(RB3LYP) =  -3581.78091857     A.U. after   14 cycles
            NFock= 14  Conv=0.36D-08     -V/T= 2.0089
 Calling FoFJK, ICntrl=      2127 FMM=T ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000862313   -0.000055124   -0.000062960
      2        6          -0.000075604    0.000349690   -0.000286529
      3        6           0.000398956   -0.000457853    0.000016459
      4        6           0.000073630   -0.000126630    0.000104672
      5        6           0.000548694   -0.000164945    0.000144698
      6        6          -0.000398006    0.000405252    0.000140215
      7        6          -0.000464410    0.000412740    0.000264633
      8        6           0.001473423    0.001022939   -0.000005739
      9        6          -0.000292981   -0.001495865   -0.000380618
     10        6           0.000600508    0.001608286   -0.000160292
     11        6           0.000404915    0.000395236    0.000210460
     12        6          -0.000242860   -0.000804058    0.000256758
     13        6          -0.001163215   -0.000022240   -0.000346580
     14        6           0.000952947   -0.000545022   -0.000425397
     15        7           0.000642073   -0.000940090    0.000710496
     16        6          -0.001516212    0.001490965   -0.000166359
     17        6          -0.000276113   -0.000051652    0.000169928
     18        7          -0.000398668   -0.000727405   -0.000180216
     19        6           0.000352957   -0.000895140   -0.000131146
     20        6           0.000338875    0.001157860   -0.000482971
     21        6          -0.000137595   -0.000926872    0.000165423
     22        6          -0.000475092    0.000301577    0.000202673
     23        6           0.000483715   -0.000140916    0.000055731
     24        6           0.000501603    0.000249163    0.000046811
     25        6           0.000278491    0.000183268    0.000062808
     26        6           0.000446263    0.000041647    0.000234487
     27        6          -0.000111074   -0.000029042    0.000165228
     28        6          -0.001728072   -0.001129711   -0.000085861
     29        6          -0.000034089   -0.000059760   -0.000139300
     30        6           0.000161691    0.000486427   -0.000226209
     31        6           0.000575515   -0.000026888   -0.000140401
     32        6          -0.000075186    0.000087721   -0.000232835
     33        6          -0.001797916    0.001028804   -0.000184570
     34        6          -0.000105149   -0.000043092    0.000195149
     35        6           0.000123475   -0.000437445    0.000188014
     36        6          -0.000281287   -0.000317648    0.000370313
     37        6           0.000062050    0.000025505    0.000176077
     38        6           0.001637687    0.001015193   -0.000013667
     39        6          -0.000031258    0.000049842   -0.000166087
     40        6          -0.000364043   -0.000000381   -0.000258986
     41        7          -0.000160104    0.000052579   -0.000057236
     42        7          -0.000186094   -0.000041837    0.000060946
     43        7           0.000230136    0.000151306    0.000020333
     44        6           0.000369715    0.001234397   -0.000573386
     45        6           0.000184233    0.000222005   -0.000956937
     46        6           0.000264210    0.000056312    0.000955048
     47        6           0.001273269   -0.000260111    0.000571586
     48        6           0.001341622    0.000313513   -0.000424676
     49        6           0.000410722    0.000000311   -0.000880209
     50        6           0.000037895   -0.000244817    0.000939421
     51        6           0.000350123   -0.001217357    0.000666391
     52        6          -0.000281271   -0.001283615    0.000461237
     53        6          -0.000126078   -0.000306351    0.000928693
     54        6          -0.000318839    0.000010892   -0.000932958
     55        6          -0.001287255    0.000270342   -0.000457495
     56        6          -0.000239597   -0.000487676   -0.000257888
     57        6          -0.000386169   -0.000202681    0.000017427
     58        6           0.000557616    0.000751018    0.000067337
     59        6          -0.000332111   -0.000125922   -0.000235252
     60        6          -0.000262404   -0.000238379    0.000232816
     61        6           0.000916198    0.000150828   -0.000050035
     62        6          -0.000344435   -0.000252019   -0.000043099
     63        6          -0.000552180   -0.000007213    0.000240209
     64        6          -0.000502718   -0.000014832   -0.000324133
     65        6          -0.000367438    0.000221644   -0.000012006
     66        6           0.000912672   -0.000110571    0.000188570
     67        6          -0.000231552    0.000251004   -0.000255947
     68        6          -0.000374319    0.000093591    0.000164376
     69        6           0.000608888   -0.000715273    0.000011025
     70        6          -0.000381818    0.000182947   -0.000086669
     71        6          -0.000310752    0.000460112    0.000209577
     72        6           0.000240329    0.000488092    0.000262313
     73        6           0.000377351    0.000195727   -0.000030553
     74        6          -0.000521242   -0.000751468   -0.000105009
     75        6           0.000345446    0.000114141    0.000234650
     76        6           0.000248852    0.000275814   -0.000227700
     77        6          -0.000905692   -0.000171407    0.000076003
     78        6           0.000337105    0.000255205    0.000021684
     79        6           0.000544679    0.000022335   -0.000266243
     80        1           0.000151164   -0.000421262    0.000374263
     81        1          -0.000082044    0.000054526    0.000078999
     82        1          -0.000255120    0.000243895   -0.000016281
     83        1           0.000242579    0.000056300   -0.000080811
     84        1          -0.000103565   -0.000167598   -0.000230400
     85        1           0.000234736   -0.000014480    0.000292877
     86        1          -0.000596653    0.000274528   -0.000449785
     87        1          -0.000008008    0.000182544   -0.000023327
     88        1          -0.000165444   -0.000392762   -0.000118611
     89        1          -0.000086543   -0.000034099   -0.000059485
     90        1          -0.000153352   -0.000068117   -0.000228199
     91        1           0.000222352   -0.000286259    0.000052273
     92        1          -0.000170111    0.000333482   -0.000049457
     93        1          -0.000130691   -0.000146039    0.000245099
     94        1          -0.000180800    0.000025308    0.000201261
     95        1           0.000202936    0.000314496   -0.000011201
     96        1          -0.000173031   -0.000342588    0.000016366
     97        1          -0.000077765    0.000131864   -0.000238923
     98        1           0.000326141    0.000131584   -0.000149851
     99        1           0.000112549   -0.000276351   -0.000068919
    100        1          -0.000215297    0.000220010    0.000073874
    101        1           0.000291331    0.000235097    0.000131244
    102        1          -0.000025689    0.000142265   -0.000021256
    103        1           0.000025109   -0.000106492   -0.000030545
    104        1           0.000016323   -0.000149029   -0.000034125
    105        1           0.000034577    0.000298631    0.000145846
    106        1           0.000270658   -0.000114825   -0.000125836
    107        1          -0.000126199    0.000082429    0.000039504
    108        1          -0.000084616    0.000072454    0.000042291
    109        1           0.000116707   -0.000085341    0.000027711
    110        1           0.000113624    0.000095237   -0.000004857
    111        1          -0.000073403   -0.000074341   -0.000052947
    112        1          -0.000115455   -0.000086886   -0.000057881
    113        1           0.000243023    0.000108965    0.000189592
    114        1           0.000080058   -0.000286022   -0.000150749
    115        1           0.000000158    0.000148968    0.000045237
    116        1           0.000012009    0.000107492    0.000045945
    117        1          -0.000019227   -0.000146239    0.000015807
    118        1           0.000027410   -0.000141498    0.000010922
    119        1          -0.000025723    0.000101975    0.000050118
    120        1          -0.000022243    0.000142796    0.000053554
    121        1          -0.000019224   -0.000288619   -0.000143216
    122        1          -0.000272980    0.000095689    0.000144665
    123        1           0.000121852   -0.000076141   -0.000045536
    124        1           0.000081429   -0.000062377   -0.000042970
    125        1          -0.000119183    0.000082512   -0.000006623
    126       17          -0.000329679   -0.000172604    0.000207825
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.001797916 RMS     0.000439295

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.001801105 RMS     0.000251153
 Search for a local minimum.
 Step number  13 out of a maximum of  756
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points   12   13
 DE= -9.85D-04 DEPred=-6.81D-04 R= 1.45D+00
 TightC=F SS=  1.41D+00  RLast= 3.36D-01 DXNew= 5.0454D+00 1.0078D+00
 Trust test= 1.45D+00 RLast= 3.36D-01 DXMaxT set to 3.00D+00
 ITU=  1  1  1  1  1  1  1  1  1  1  0  1  0
     Eigenvalues ---    0.00560   0.01162   0.02283   0.02546   0.02576
     Eigenvalues ---    0.02652   0.02676   0.02678   0.02690   0.02693
     Eigenvalues ---    0.02700   0.02706   0.02707   0.02707   0.02710
     Eigenvalues ---    0.02714   0.02718   0.02722   0.02729   0.02744
     Eigenvalues ---    0.02754   0.02758   0.02761   0.02767   0.02768
     Eigenvalues ---    0.02769   0.02773   0.02783   0.02786   0.02786
     Eigenvalues ---    0.02786   0.02790   0.02792   0.02792   0.02793
     Eigenvalues ---    0.02793   0.02793   0.02793   0.02796   0.02801
     Eigenvalues ---    0.02801   0.02802   0.02802   0.02802   0.02803
     Eigenvalues ---    0.02806   0.02808   0.02808   0.02809   0.02809
     Eigenvalues ---    0.02811   0.02815   0.02818   0.02818   0.02818
     Eigenvalues ---    0.02819   0.02819   0.02820   0.02823   0.02833
     Eigenvalues ---    0.02836   0.02837   0.02839   0.02845   0.02845
     Eigenvalues ---    0.02845   0.02845   0.02845   0.02850   0.02853
     Eigenvalues ---    0.02862   0.02865   0.02868   0.02868   0.02868
     Eigenvalues ---    0.02868   0.02872   0.02872   0.02876   0.02876
     Eigenvalues ---    0.02877   0.02877   0.02877   0.02877   0.02881
     Eigenvalues ---    0.02884   0.02884   0.02884   0.02885   0.02885
     Eigenvalues ---    0.02885   0.02885   0.02885   0.02885   0.02893
     Eigenvalues ---    0.02894   0.02895   0.02896   0.02898   0.02898
     Eigenvalues ---    0.02899   0.02900   0.02900   0.02901   0.02909
     Eigenvalues ---    0.02909   0.02910   0.02931   0.02942   0.02942
     Eigenvalues ---    0.02973   0.03025   0.03025   0.03025   0.03069
     Eigenvalues ---    0.03136   0.03136   0.03136   0.03149   0.03162
     Eigenvalues ---    0.03250   0.03357   0.03620   0.05332   0.10466
     Eigenvalues ---    0.15495   0.15670   0.15954   0.15979   0.15985
     Eigenvalues ---    0.15987   0.15988   0.15990   0.15990   0.15995
     Eigenvalues ---    0.15995   0.15996   0.15996   0.15997   0.15997
     Eigenvalues ---    0.15997   0.15997   0.15999   0.15999   0.15999
     Eigenvalues ---    0.15999   0.15999   0.15999   0.15999   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16004   0.16006   0.16042   0.16070   0.16147
     Eigenvalues ---    0.17513   0.21931   0.22000   0.22000   0.22000
     Eigenvalues ---    0.22000   0.22000   0.22001   0.22001   0.22003
     Eigenvalues ---    0.22277   0.22438   0.22440   0.22601   0.22601
     Eigenvalues ---    0.22602   0.22602   0.22603   0.22638   0.22769
     Eigenvalues ---    0.22967   0.22968   0.23189   0.23442   0.23490
     Eigenvalues ---    0.23520   0.23885   0.23999   0.24027   0.24311
     Eigenvalues ---    0.24487   0.24488   0.24490   0.24536   0.24537
     Eigenvalues ---    0.24619   0.24636   0.24764   0.24847   0.24984
     Eigenvalues ---    0.24987   0.24988   0.24990   0.24991   0.24993
     Eigenvalues ---    0.24995   0.24997   0.24999   0.25000   0.25000
     Eigenvalues ---    0.25000   0.25000   0.25000   0.25000   0.25001
     Eigenvalues ---    0.25002   0.25014   0.25045   0.25155   0.25694
     Eigenvalues ---    0.26254   0.33215   0.33248   0.33252   0.33254
     Eigenvalues ---    0.33256   0.33257   0.33286   0.33298   0.33390
     Eigenvalues ---    0.33393   0.33396   0.33399   0.33401   0.33430
     Eigenvalues ---    0.33562   0.33567   0.33570   0.33572   0.33576
     Eigenvalues ---    0.33589   0.33613   0.33622   0.33641   0.33646
     Eigenvalues ---    0.33652   0.33662   0.33686   0.33701   0.33710
     Eigenvalues ---    0.33725   0.33812   0.33829   0.33831   0.33833
     Eigenvalues ---    0.33840   0.33847   0.33902   0.33929   0.33930
     Eigenvalues ---    0.33932   0.33937   0.33940   0.34864   0.34946
     Eigenvalues ---    0.35001   0.35498   0.44442   0.44443   0.44443
     Eigenvalues ---    0.45001   0.47855   0.48632   0.48812   0.48968
     Eigenvalues ---    0.48969   0.49292   0.49322   0.49536   0.49821
     Eigenvalues ---    0.49823   0.49846   0.49917   0.49932   0.50035
     Eigenvalues ---    0.50125   0.50404   0.50407   0.50613   0.50614
     Eigenvalues ---    0.50618   0.51113   0.51858   0.52309   0.52312
     Eigenvalues ---    0.52667   0.53117   0.53725   0.54110   0.54114
     Eigenvalues ---    0.54199   0.54202   0.54203   0.54376   0.54567
     Eigenvalues ---    0.55001   0.55008   0.55191   0.55255   0.55316
     Eigenvalues ---    0.55335   0.55350   0.55369   0.55389   0.55431
     Eigenvalues ---    0.55506   0.55667   0.55711   0.55711   0.55716
     Eigenvalues ---    0.55948   0.55951   0.56013   0.56145   0.56147
     Eigenvalues ---    0.56148   0.56209   0.56280   0.56287   0.56301
     Eigenvalues ---    0.56525   0.56661   0.56664   0.56668   0.56670
     Eigenvalues ---    0.56676   0.56694   0.56766   0.56809   0.56877
     Eigenvalues ---    0.56906   0.56909   0.57126   0.57169   0.57171
     Eigenvalues ---    0.57172   0.57182   0.57183   0.60056   0.63089
     Eigenvalues ---    0.64118   0.66099   0.66105   0.67230   0.67692
     Eigenvalues ---    0.67696   0.67704   0.69863   0.70109   0.70136
     Eigenvalues ---    0.73707   0.76206
 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF=       -3 using points:    13   12   11   10    9
 RFO step:  Lambda=-4.76037489D-04.
 DidBck=F Rises=F RFO-DIIS coefs:    1.61574   -0.67611   -0.02991    0.15737   -0.06710
 Iteration  1 RMS(Cart)=  0.07684581 RMS(Int)=  0.00067780
 Iteration  2 RMS(Cart)=  0.00204356 RMS(Int)=  0.00003406
 Iteration  3 RMS(Cart)=  0.00000123 RMS(Int)=  0.00003405
 Iteration  4 RMS(Cart)=  0.00000000 RMS(Int)=  0.00003405
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        2.63868  -0.00010  -0.00115   0.00039  -0.00075   2.63793
    R2        2.66553   0.00022  -0.00033   0.00045   0.00013   2.66566
    R3        2.80445  -0.00061   0.00284  -0.00360  -0.00076   2.80369
    R4        2.65758   0.00047  -0.00058   0.00131   0.00073   2.65831
    R5        2.04512   0.00005   0.00100  -0.00068   0.00032   2.04543
    R6        2.67341  -0.00010  -0.00244   0.00124  -0.00122   2.67219
    R7        2.78447  -0.00014   0.00058  -0.00085  -0.00028   2.78418
    R8        2.65881   0.00031   0.00027   0.00043   0.00071   2.65951
    R9        2.75872  -0.00011  -0.00042  -0.00027  -0.00070   2.75802
   R10        2.60888   0.00036  -0.00056   0.00104   0.00049   2.60937
   R11        2.04745  -0.00010   0.00009  -0.00045  -0.00036   2.04709
   R12        2.05045   0.00006   0.00018   0.00013   0.00031   2.05076
   R13        2.69290   0.00045  -0.00125   0.00188   0.00064   2.69354
   R14        2.65263  -0.00002  -0.00125   0.00058  -0.00070   2.65193
   R15        2.74643  -0.00118  -0.00210  -0.00188  -0.00397   2.74246
   R16        2.66820   0.00036   0.00202  -0.00047   0.00157   2.66977
   R17        2.72364   0.00117  -0.00110   0.00323   0.00216   2.72579
   R18        2.53968  -0.00004   0.00340  -0.00166   0.00176   2.54144
   R19        2.50748  -0.00131  -0.00113  -0.00165  -0.00277   2.50471
   R20        2.63986   0.00032   0.00009   0.00067   0.00073   2.64058
   R21        2.04467   0.00005   0.00077  -0.00055   0.00022   2.04489
   R22        2.66369  -0.00053  -0.00122  -0.00049  -0.00171   2.66197
   R23        2.80154  -0.00059   0.00260  -0.00346  -0.00086   2.80068
   R24        2.60844   0.00049   0.00039   0.00068   0.00109   2.60953
   R25        2.04950   0.00007   0.00042   0.00002   0.00044   2.04994
   R26        2.05546  -0.00071   0.00137  -0.00181  -0.00043   2.05502
   R27        2.57824  -0.00005   0.00025  -0.00038  -0.00013   2.57810
   R28        2.11762   0.00020  -0.01556   0.01772   0.00251   2.12013
   R29        5.51295   0.00032   0.00731   0.01492   0.02188   5.53483
   R30        2.69751  -0.00007  -0.00350   0.00184  -0.00169   2.69581
   R31        2.67324   0.00054  -0.00251   0.00239  -0.00012   2.67312
   R32        2.55441  -0.00068  -0.00046  -0.00148  -0.00195   2.55246
   R33        2.67632  -0.00011  -0.00040  -0.00019  -0.00060   2.67572
   R34        2.59623   0.00035   0.00074   0.00032   0.00107   2.59730
   R35        2.05262  -0.00018   0.00160  -0.00138   0.00023   2.05285
   R36        2.70567  -0.00039  -0.00037  -0.00088  -0.00124   2.70443
   R37        2.05038   0.00001   0.00006   0.00010   0.00016   2.05053
   R38        2.61446   0.00040  -0.00051   0.00105   0.00055   2.61501
   R39        2.79833   0.00061   0.00261  -0.00097   0.00164   2.79997
   R40        2.04886  -0.00002   0.00028  -0.00020   0.00007   2.04894
   R41        2.65575   0.00006  -0.00089   0.00030  -0.00058   2.65516
   R42        2.65545   0.00018  -0.00068   0.00043  -0.00025   2.65520
   R43        2.65640   0.00010  -0.00060   0.00027  -0.00033   2.65607
   R44        2.65592   0.00017  -0.00069   0.00045  -0.00025   2.65567
   R45        2.65581   0.00015  -0.00103   0.00053  -0.00050   2.65530
   R46        2.65548   0.00028  -0.00130   0.00088  -0.00042   2.65505
   R47        2.62796   0.00022  -0.00037   0.00053   0.00016   2.62811
   R48        2.05103  -0.00001  -0.00019   0.00010  -0.00009   2.05094
   R49        2.64676   0.00026  -0.00012   0.00106   0.00094   2.64770
   R50        2.04922   0.00023  -0.00010   0.00025   0.00015   2.04937
   R51        2.64677   0.00029   0.00005   0.00105   0.00111   2.64788
   R52        2.68230  -0.00176  -0.00174  -0.00242  -0.00416   2.67814
   R53        2.62799   0.00019  -0.00044   0.00052   0.00009   2.62808
   R54        2.04928   0.00024  -0.00018   0.00034   0.00016   2.04944
   R55        2.05164  -0.00003   0.00003  -0.00009  -0.00006   2.05158
   R56        2.62858   0.00025  -0.00033   0.00060   0.00027   2.62885
   R57        2.05145  -0.00000  -0.00006   0.00002  -0.00004   2.05142
   R58        2.64605   0.00028  -0.00016   0.00112   0.00096   2.64701
   R59        2.04945   0.00024  -0.00008   0.00027   0.00018   2.04963
   R60        2.64590   0.00032  -0.00004   0.00113   0.00109   2.64699
   R61        2.68399  -0.00180  -0.00159  -0.00254  -0.00413   2.67986
   R62        2.62884   0.00017  -0.00040   0.00050   0.00009   2.62893
   R63        2.04943   0.00025  -0.00011   0.00031   0.00020   2.04963
   R64        2.05163  -0.00002   0.00007  -0.00008  -0.00001   2.05161
   R65        2.62831   0.00016  -0.00023   0.00031   0.00008   2.62839
   R66        2.05149  -0.00005  -0.00027   0.00010  -0.00017   2.05132
   R67        2.64695   0.00018   0.00010   0.00088   0.00098   2.64793
   R68        2.04911   0.00021  -0.00012   0.00019   0.00007   2.04918
   R69        2.64763   0.00023  -0.00020   0.00102   0.00082   2.64846
   R70        2.68063  -0.00160  -0.00161  -0.00220  -0.00381   2.67682
   R71        2.62753   0.00011   0.00004   0.00019   0.00023   2.62776
   R72        2.04917   0.00022  -0.00016   0.00024   0.00008   2.04925
   R73        2.05167  -0.00009  -0.00004  -0.00023  -0.00027   2.05139
   R74        2.65022  -0.00120   0.00051  -0.00196  -0.00146   2.64876
   R75        2.65026  -0.00117   0.00050  -0.00194  -0.00143   2.64882
   R76        2.65169  -0.00114   0.00067  -0.00192  -0.00125   2.65044
   R77        2.65070  -0.00118   0.00068  -0.00201  -0.00134   2.64937
   R78        2.65174  -0.00111   0.00078  -0.00191  -0.00113   2.65061
   R79        2.65233  -0.00110   0.00079  -0.00188  -0.00109   2.65124
   R80        2.67873   0.00003  -0.00203   0.00118  -0.00085   2.67788
   R81        2.63945   0.00030  -0.00045   0.00117   0.00072   2.64017
   R82        2.73841  -0.00042  -0.00134  -0.00053  -0.00187   2.73653
   R83        2.64396   0.00031  -0.00003   0.00047   0.00044   2.64440
   R84        2.67915   0.00002  -0.00204   0.00115  -0.00089   2.67826
   R85        2.64380   0.00030  -0.00001   0.00044   0.00043   2.64422
   R86        2.63956   0.00029  -0.00042   0.00112   0.00070   2.64026
   R87        2.67914   0.00003  -0.00200   0.00116  -0.00084   2.67830
   R88        2.63938   0.00027  -0.00046   0.00112   0.00066   2.64004
   R89        2.73848  -0.00041  -0.00133  -0.00052  -0.00185   2.73663
   R90        2.64398   0.00030  -0.00000   0.00043   0.00043   2.64441
   R91        2.67912   0.00003  -0.00203   0.00117  -0.00086   2.67826
   R92        2.64398   0.00030  -0.00000   0.00045   0.00045   2.64442
   R93        2.63935   0.00029  -0.00048   0.00115   0.00067   2.64002
   R94        2.67880   0.00002  -0.00204   0.00115  -0.00089   2.67791
   R95        2.63951   0.00032  -0.00043   0.00121   0.00079   2.64030
   R96        2.73845  -0.00044  -0.00139  -0.00057  -0.00195   2.73649
   R97        2.64376   0.00029  -0.00004   0.00044   0.00040   2.64416
   R98        2.67859   0.00002  -0.00204   0.00116  -0.00088   2.67771
   R99        2.64387   0.00029  -0.00004   0.00044   0.00040   2.64427
   R100       2.63946   0.00032  -0.00042   0.00121   0.00079   2.64026
   R101       2.62996   0.00016  -0.00030   0.00026  -0.00004   2.62992
   R102       2.05292  -0.00009  -0.00010  -0.00019  -0.00029   2.05262
   R103       2.65344   0.00062  -0.00078   0.00130   0.00052   2.65396
   R104       2.05148  -0.00003   0.00007  -0.00008  -0.00001   2.05147
   R105       2.63369  -0.00017  -0.00014  -0.00031  -0.00046   2.63324
   R106       2.05265  -0.00011  -0.00028  -0.00016  -0.00043   2.05221
   R107       2.04864   0.00021  -0.00005   0.00022   0.00017   2.04881
   R108       2.63351  -0.00017  -0.00016  -0.00031  -0.00046   2.63304
   R109       2.04855   0.00020  -0.00008   0.00019   0.00012   2.04867
   R110       2.65364   0.00061  -0.00076   0.00127   0.00051   2.65414
   R111       2.05246  -0.00011  -0.00030  -0.00015  -0.00045   2.05201
   R112       2.62970   0.00016  -0.00030   0.00025  -0.00006   2.62964
   R113       2.05144  -0.00003   0.00006  -0.00007  -0.00001   2.05143
   R114       2.05294  -0.00009  -0.00009  -0.00021  -0.00030   2.05265
   R115       2.62986   0.00016  -0.00029   0.00025  -0.00005   2.62981
   R116       2.05292  -0.00009  -0.00010  -0.00020  -0.00029   2.05263
   R117       2.65369   0.00062  -0.00074   0.00129   0.00055   2.65424
   R118       2.05145  -0.00003   0.00006  -0.00007  -0.00000   2.05144
   R119       2.63359  -0.00018  -0.00014  -0.00033  -0.00047   2.63312
   R120       2.05259  -0.00011  -0.00029  -0.00015  -0.00044   2.05214
   R121       2.04877   0.00021  -0.00002   0.00019   0.00017   2.04893
   R122       2.63361  -0.00018  -0.00015  -0.00032  -0.00047   2.63314
   R123       2.04877   0.00021  -0.00003   0.00020   0.00017   2.04893
   R124       2.65367   0.00062  -0.00074   0.00129   0.00055   2.65421
   R125       2.05260  -0.00011  -0.00029  -0.00015  -0.00043   2.05216
   R126       2.62988   0.00016  -0.00031   0.00026  -0.00005   2.62983
   R127       2.05143  -0.00003   0.00007  -0.00007  -0.00000   2.05143
   R128       2.05292  -0.00009  -0.00010  -0.00020  -0.00030   2.05263
   R129       2.62970   0.00017  -0.00032   0.00027  -0.00006   2.62965
   R130       2.05289  -0.00009  -0.00010  -0.00020  -0.00029   2.05260
   R131       2.65343   0.00060  -0.00078   0.00127   0.00048   2.65391
   R132       2.05141  -0.00003   0.00006  -0.00007  -0.00000   2.05140
   R133       2.63362  -0.00016  -0.00014  -0.00029  -0.00044   2.63318
   R134       2.05246  -0.00011  -0.00030  -0.00014  -0.00044   2.05202
   R135       2.04849   0.00021  -0.00008   0.00020   0.00012   2.04861
   R136       2.63372  -0.00017  -0.00012  -0.00031  -0.00043   2.63329
   R137       2.04854   0.00021  -0.00009   0.00022   0.00013   2.04867
   R138       2.65335   0.00061  -0.00079   0.00127   0.00048   2.65382
   R139       2.05256  -0.00011  -0.00029  -0.00015  -0.00044   2.05212
   R140       2.62985   0.00017  -0.00032   0.00028  -0.00005   2.62980
   R141       2.05144  -0.00003   0.00007  -0.00007  -0.00000   2.05144
   R142       2.05289  -0.00009  -0.00010  -0.00020  -0.00030   2.05259
   R143       3.41730  -0.00025   0.02273  -0.00544   0.01764   3.43494
    A1        2.06560  -0.00007  -0.00026  -0.00051  -0.00077   2.06483
    A2        2.10762   0.00013   0.00014   0.00067   0.00082   2.10844
    A3        2.10996  -0.00006   0.00012  -0.00017  -0.00005   2.10991
    A4        2.13690   0.00015  -0.00015   0.00118   0.00102   2.13792
    A5        2.05488  -0.00015   0.00141  -0.00230  -0.00089   2.05399
    A6        2.09102   0.00000  -0.00133   0.00115  -0.00017   2.09085
    A7        2.05862  -0.00004   0.00067  -0.00089  -0.00023   2.05839
    A8        2.13450   0.00007  -0.00109   0.00151   0.00044   2.13495
    A9        2.08991  -0.00003   0.00036  -0.00059  -0.00026   2.08965
   A10        2.09183  -0.00003   0.00002  -0.00031  -0.00029   2.09154
   A11        2.09976  -0.00015   0.00026  -0.00082  -0.00059   2.09917
   A12        2.09157   0.00018  -0.00033   0.00116   0.00086   2.09243
   A13        2.11050   0.00003  -0.00060   0.00085   0.00024   2.11073
   A14        2.06046   0.00033   0.00093   0.00186   0.00280   2.06326
   A15        2.11216  -0.00036  -0.00034  -0.00272  -0.00306   2.10910
   A16        2.10291  -0.00004   0.00035  -0.00032   0.00002   2.10294
   A17        2.08769   0.00026   0.00150   0.00096   0.00246   2.09015
   A18        2.09225  -0.00022  -0.00191  -0.00067  -0.00258   2.08967
   A19        2.10528   0.00011  -0.00021   0.00065   0.00042   2.10571
   A20        2.11774  -0.00000  -0.00078   0.00093   0.00013   2.11788
   A21        2.06015  -0.00011   0.00100  -0.00157  -0.00057   2.05959
   A22        2.07882   0.00020  -0.00169   0.00168  -0.00001   2.07881
   A23        2.08329  -0.00023   0.00031  -0.00045  -0.00009   2.08319
   A24        2.12107   0.00003   0.00138  -0.00123   0.00010   2.12118
   A25        2.10598  -0.00033   0.00244  -0.00288  -0.00046   2.10552
   A26        2.13232   0.00000   0.00650  -0.00443   0.00201   2.13434
   A27        2.04487   0.00033  -0.00884   0.00732  -0.00156   2.04331
   A28        2.08500   0.00020  -0.00197   0.00243   0.00045   2.08545
   A29        2.06749  -0.00020  -0.00058  -0.00042  -0.00099   2.06649
   A30        2.13063  -0.00000   0.00254  -0.00197   0.00057   2.13120
   A31        2.14101   0.00026  -0.00049   0.00182   0.00132   2.14233
   A32        2.08484   0.00005  -0.00072   0.00112   0.00040   2.08524
   A33        2.05699  -0.00031   0.00126  -0.00297  -0.00171   2.05529
   A34        2.06155  -0.00004  -0.00031  -0.00046  -0.00077   2.06078
   A35        2.11015  -0.00003   0.00007   0.00009   0.00016   2.11031
   A36        2.11148   0.00006   0.00024   0.00038   0.00061   2.11209
   A37        2.11031   0.00001   0.00176  -0.00093   0.00089   2.11119
   A38        2.09373   0.00026   0.00122   0.00140   0.00258   2.09631
   A39        2.07893  -0.00027  -0.00301  -0.00053  -0.00357   2.07536
   A40        2.10953   0.00012  -0.00239   0.00190  -0.00058   2.10895
   A41        2.10619  -0.00003   0.00169  -0.00136   0.00011   2.10631
   A42        2.06742  -0.00008   0.00104  -0.00041   0.00042   2.06785
   A43        2.13719  -0.00099   0.00836  -0.00857  -0.00044   2.13675
   A44        2.16225   0.00055  -0.01171   0.00980  -0.00175   2.16050
   A45        2.27167  -0.00042  -0.00746   0.00347  -0.00433   2.26734
   A46        1.98143   0.00043   0.00326  -0.00110   0.00219   1.98362
   A47        1.86989   0.00141   0.00010   0.00575   0.00561   1.87550
   A48        2.05809   0.00051  -0.00288   0.00381   0.00089   2.05899
   A49        2.12610  -0.00028  -0.00166  -0.00077  -0.00239   2.12371
   A50        2.09898  -0.00023   0.00459  -0.00305   0.00151   2.10049
   A51        2.10997   0.00022  -0.00192   0.00181  -0.00014   2.10983
   A52        2.08068   0.00020  -0.00151   0.00166   0.00013   2.08081
   A53        2.09234  -0.00042   0.00336  -0.00343  -0.00000   2.09234
   A54        2.08448  -0.00005   0.00329  -0.00231   0.00092   2.08540
   A55        2.07078  -0.00005  -0.00271   0.00100  -0.00175   2.06903
   A56        2.07382   0.00002  -0.00185   0.00089  -0.00098   2.07284
   A57        2.13858   0.00002   0.00466  -0.00191   0.00274   2.14132
   A58        2.13885   0.00013  -0.00078   0.00119   0.00040   2.13924
   A59        2.07630  -0.00050   0.00087  -0.00361  -0.00275   2.07354
   A60        2.06777   0.00037   0.00007   0.00228   0.00234   2.07011
   A61        2.06820  -0.00008   0.00178  -0.00118   0.00058   2.06877
   A62        2.09807   0.00009  -0.00016   0.00031   0.00015   2.09822
   A63        2.11692  -0.00001  -0.00161   0.00087  -0.00073   2.11619
   A64        2.10885   0.00003  -0.00123   0.00042  -0.00085   2.10800
   A65        2.04933  -0.00011   0.00143  -0.00080   0.00065   2.04998
   A66        2.12462   0.00008  -0.00014   0.00031   0.00019   2.12481
   A67        2.11051  -0.00010  -0.00051   0.00036  -0.00016   2.11036
   A68        2.11442   0.00000  -0.00035   0.00067   0.00031   2.11473
   A69        2.05825   0.00009   0.00087  -0.00102  -0.00016   2.05809
   A70        2.10763   0.00002  -0.00061   0.00072   0.00011   2.10774
   A71        2.11681  -0.00006  -0.00001   0.00039   0.00038   2.11718
   A72        2.05875   0.00004   0.00062  -0.00111  -0.00049   2.05827
   A73        2.11155   0.00009  -0.00036   0.00065   0.00029   2.11184
   A74        2.11099   0.00011  -0.00186   0.00203   0.00017   2.11116
   A75        2.06064  -0.00020   0.00222  -0.00268  -0.00045   2.06018
   A76        2.11482  -0.00000  -0.00056   0.00071   0.00015   2.11497
   A77        2.08649   0.00019   0.00131   0.00044   0.00175   2.08824
   A78        2.08113  -0.00019  -0.00084  -0.00119  -0.00204   2.07909
   A79        2.09743   0.00004   0.00047   0.00088   0.00135   2.09878
   A80        2.10203  -0.00021   0.00026  -0.00292  -0.00266   2.09937
   A81        2.08351   0.00017  -0.00068   0.00201   0.00133   2.08484
   A82        2.08275  -0.00010  -0.00053  -0.00197  -0.00249   2.08026
   A83        2.10060   0.00007   0.00018   0.00109   0.00127   2.10187
   A84        2.09983   0.00003   0.00035   0.00088   0.00123   2.10106
   A85        2.09668   0.00005   0.00022   0.00108   0.00130   2.09797
   A86        2.08297   0.00016  -0.00072   0.00198   0.00126   2.08423
   A87        2.10324  -0.00021   0.00056  -0.00309  -0.00253   2.10071
   A88        2.11569  -0.00002  -0.00028   0.00047   0.00018   2.11587
   A89        2.08650   0.00021   0.00100   0.00076   0.00175   2.08825
   A90        2.08011  -0.00019  -0.00082  -0.00129  -0.00212   2.07799
   A91        2.11551  -0.00003  -0.00056   0.00058   0.00001   2.11552
   A92        2.08599   0.00018   0.00130   0.00034   0.00163   2.08762
   A93        2.08095  -0.00015  -0.00083  -0.00093  -0.00177   2.07918
   A94        2.09703   0.00002   0.00027   0.00092   0.00119   2.09822
   A95        2.10324  -0.00019   0.00057  -0.00294  -0.00238   2.10086
   A96        2.08271   0.00017  -0.00078   0.00200   0.00122   2.08392
   A97        2.08282  -0.00007  -0.00032  -0.00191  -0.00222   2.08060
   A98        2.10006   0.00007  -0.00005   0.00119   0.00114   2.10120
   A99        2.10030  -0.00000   0.00036   0.00072   0.00108   2.10138
   A100       2.09688   0.00002   0.00018   0.00097   0.00114   2.09802
   A101       2.08278   0.00016  -0.00070   0.00192   0.00121   2.08399
   A102       2.10327  -0.00018   0.00061  -0.00293  -0.00233   2.10094
   A103       2.11566  -0.00003  -0.00050   0.00055   0.00004   2.11570
   A104       2.08562   0.00019   0.00113   0.00048   0.00161   2.08723
   A105       2.08108  -0.00016  -0.00071  -0.00108  -0.00180   2.07929
   A106       2.11390   0.00010  -0.00134   0.00147   0.00013   2.11403
   A107       2.08741   0.00032  -0.00003   0.00188   0.00184   2.08924
   A108       2.08104  -0.00043   0.00161  -0.00354  -0.00194   2.07909
   A109       2.09729   0.00009   0.00002   0.00125   0.00127   2.09856
   A110       2.10217  -0.00024   0.00124  -0.00350  -0.00227   2.09990
   A111       2.08353   0.00015  -0.00116   0.00219   0.00102   2.08455
   A112       2.08286  -0.00017   0.00034  -0.00269  -0.00234   2.08051
   A113       2.10053   0.00006  -0.00036   0.00134   0.00097   2.10150
   A114       2.09980   0.00011   0.00002   0.00135   0.00137   2.10117
   A115       2.09698   0.00007  -0.00014   0.00126   0.00111   2.09809
   A116       2.08298   0.00017  -0.00104   0.00226   0.00121   2.08419
   A117       2.10295  -0.00024   0.00131  -0.00360  -0.00231   2.10065
   A118       2.11450   0.00011  -0.00116   0.00140   0.00024   2.11474
   A119       2.08363   0.00033  -0.00066   0.00239   0.00172   2.08536
   A120       2.08424  -0.00044   0.00204  -0.00397  -0.00194   2.08230
   A121       2.19629  -0.00026   0.00059  -0.00066  -0.00008   2.19621
   A122       2.19655  -0.00025   0.00047  -0.00070  -0.00023   2.19632
   A123       1.89034   0.00051  -0.00105   0.00136   0.00031   1.89065
   A124       2.19669  -0.00022   0.00058  -0.00057   0.00001   2.19670
   A125       2.19651  -0.00028   0.00060  -0.00086  -0.00026   2.19625
   A126       1.88998   0.00050  -0.00117   0.00142   0.00025   1.89023
   A127       2.19642  -0.00025   0.00067  -0.00078  -0.00011   2.19631
   A128       2.19691  -0.00023   0.00058  -0.00062  -0.00004   2.19687
   A129       1.88985   0.00048  -0.00125   0.00140   0.00016   1.89001
   A130       1.90125  -0.00013   0.00024  -0.00052  -0.00028   1.90096
   A131       2.25811   0.00011  -0.00068   0.00225   0.00156   2.25967
   A132       2.12337   0.00002   0.00034  -0.00169  -0.00135   2.12203
   A133       1.86613  -0.00013   0.00034  -0.00020   0.00014   1.86627
   A134       2.08526   0.00007  -0.00034   0.00137   0.00103   2.08628
   A135       2.33180   0.00007  -0.00000  -0.00118  -0.00119   2.33061
   A136       1.86600  -0.00014   0.00036  -0.00023   0.00012   1.86613
   A137       2.33198   0.00007   0.00001  -0.00113  -0.00114   2.33085
   A138       2.08519   0.00006  -0.00036   0.00136   0.00099   2.08618
   A139       1.90141  -0.00011   0.00023  -0.00046  -0.00023   1.90118
   A140       2.25843   0.00007  -0.00066   0.00214   0.00147   2.25990
   A141       2.12285   0.00004   0.00032  -0.00163  -0.00130   2.12155
   A142       1.90139  -0.00011   0.00019  -0.00045  -0.00026   1.90113
   A143       2.25785   0.00007  -0.00068   0.00211   0.00143   2.25928
   A144       2.12354   0.00004   0.00040  -0.00163  -0.00122   2.12231
   A145       1.86582  -0.00014   0.00033  -0.00022   0.00010   1.86592
   A146       2.08484   0.00006  -0.00040   0.00135   0.00094   2.08579
   A147       2.33252   0.00009   0.00007  -0.00113  -0.00107   2.33145
   A148       1.86586  -0.00015   0.00033  -0.00025   0.00008   1.86594
   A149       2.33248   0.00009   0.00010  -0.00113  -0.00104   2.33144
   A150       2.08485   0.00006  -0.00043   0.00137   0.00093   2.08578
   A151       1.90136  -0.00011   0.00021  -0.00044  -0.00024   1.90113
   A152       2.25776   0.00008  -0.00074   0.00214   0.00139   2.25914
   A153       2.12366   0.00004   0.00045  -0.00166  -0.00120   2.12246
   A154       1.90120  -0.00012   0.00025  -0.00050  -0.00025   1.90095
   A155       2.25867   0.00011  -0.00053   0.00225   0.00171   2.26038
   A156       2.12281   0.00001   0.00016  -0.00172  -0.00155   2.12126
   A157       1.86628  -0.00012   0.00038  -0.00020   0.00018   1.86646
   A158       2.08543   0.00007  -0.00023   0.00139   0.00116   2.08659
   A159       2.33147   0.00004  -0.00015  -0.00120  -0.00136   2.33010
   A160       1.86634  -0.00012   0.00037  -0.00019   0.00018   1.86652
   A161       2.33137   0.00004  -0.00013  -0.00125  -0.00139   2.32998
   A162       2.08547   0.00008  -0.00024   0.00143   0.00119   2.08666
   A163       1.90110  -0.00012   0.00025  -0.00051  -0.00026   1.90084
   A164       2.25862   0.00012  -0.00055   0.00230   0.00175   2.26037
   A165       2.12297   0.00000   0.00018  -0.00175  -0.00156   2.12141
   A166       2.08025  -0.00012  -0.00002  -0.00033  -0.00034   2.07991
   A167       2.09921   0.00017   0.00110   0.00039   0.00148   2.10070
   A168       2.10370  -0.00005  -0.00109  -0.00005  -0.00114   2.10255
   A169       2.10422   0.00004   0.00062  -0.00048   0.00014   2.10436
   A170       2.09228  -0.00010  -0.00073  -0.00014  -0.00088   2.09140
   A171       2.08668   0.00006   0.00013   0.00061   0.00074   2.08741
   A172       2.11963  -0.00008  -0.00121   0.00049  -0.00072   2.11891
   A173       2.08546   0.00000  -0.00046   0.00012  -0.00034   2.08512
   A174       2.07810   0.00008   0.00166  -0.00061   0.00105   2.07915
   A175       2.05396   0.00006   0.00062   0.00065   0.00127   2.05523
   A176       2.11679   0.00005  -0.00101   0.00160   0.00058   2.11737
   A177       2.11239  -0.00011   0.00041  -0.00224  -0.00183   2.11055
   A178       2.05336   0.00007   0.00060   0.00067   0.00127   2.05463
   A179       2.11782   0.00006  -0.00102   0.00174   0.00071   2.11853
   A180       2.11197  -0.00013   0.00045  -0.00242  -0.00197   2.11000
   A181       2.11989  -0.00008  -0.00121   0.00050  -0.00070   2.11918
   A182       2.07760   0.00008   0.00163  -0.00061   0.00102   2.07862
   A183       2.08570  -0.00000  -0.00043   0.00011  -0.00032   2.08538
   A184       2.10439   0.00005   0.00065  -0.00048   0.00016   2.10455
   A185       2.08653   0.00005   0.00010   0.00059   0.00069   2.08722
   A186       2.09227  -0.00010  -0.00073  -0.00011  -0.00085   2.09142
   A187       2.07985  -0.00012  -0.00006  -0.00032  -0.00037   2.07948
   A188       2.09941   0.00017   0.00114   0.00038   0.00152   2.10092
   A189       2.10391  -0.00005  -0.00108  -0.00006  -0.00115   2.10276
   A190       2.08005  -0.00013  -0.00004  -0.00034  -0.00038   2.07967
   A191       2.09938   0.00018   0.00111   0.00042   0.00153   2.10091
   A192       2.10374  -0.00005  -0.00107  -0.00007  -0.00115   2.10259
   A193       2.10445   0.00005   0.00067  -0.00046   0.00021   2.10467
   A194       2.09218  -0.00010  -0.00074  -0.00015  -0.00088   2.09130
   A195       2.08654   0.00005   0.00008   0.00060   0.00067   2.08722
   A196       2.11976  -0.00008  -0.00123   0.00049  -0.00074   2.11902
   A197       2.08544  -0.00000  -0.00047   0.00012  -0.00035   2.08508
   A198       2.07799   0.00008   0.00170  -0.00060   0.00109   2.07908
   A199       2.05336   0.00006   0.00056   0.00066   0.00122   2.05458
   A200       2.11695   0.00004  -0.00109   0.00159   0.00050   2.11744
   A201       2.11284  -0.00010   0.00056  -0.00225  -0.00170   2.11114
   A202       2.05354   0.00006   0.00057   0.00066   0.00123   2.05477
   A203       2.11667   0.00004  -0.00106   0.00157   0.00051   2.11718
   A204       2.11293  -0.00010   0.00052  -0.00223  -0.00172   2.11122
   A205       2.11965  -0.00008  -0.00121   0.00048  -0.00073   2.11892
   A206       2.07819   0.00008   0.00168  -0.00060   0.00108   2.07927
   A207       2.08534   0.00000  -0.00047   0.00012  -0.00035   2.08499
   A208       2.10445   0.00005   0.00066  -0.00046   0.00020   2.10465
   A209       2.08651   0.00005   0.00009   0.00060   0.00068   2.08718
   A210       2.09222  -0.00010  -0.00073  -0.00014  -0.00088   2.09135
   A211       2.08012  -0.00013  -0.00004  -0.00033  -0.00037   2.07975
   A212       2.09937   0.00018   0.00113   0.00039   0.00152   2.10089
   A213       2.10368  -0.00005  -0.00110  -0.00005  -0.00116   2.10252
   A214       2.07994  -0.00012  -0.00005  -0.00032  -0.00037   2.07957
   A215       2.09935   0.00017   0.00111   0.00038   0.00148   2.10083
   A216       2.10388  -0.00005  -0.00106  -0.00005  -0.00112   2.10276
   A217       2.10425   0.00004   0.00059  -0.00051   0.00007   2.10432
   A218       2.09232  -0.00010  -0.00071  -0.00010  -0.00080   2.09152
   A219       2.08661   0.00006   0.00013   0.00060   0.00073   2.08734
   A220       2.11982  -0.00007  -0.00118   0.00052  -0.00066   2.11916
   A221       2.08567   0.00000  -0.00043   0.00013  -0.00030   2.08537
   A222       2.07769   0.00007   0.00161  -0.00065   0.00096   2.07865
   A223       2.05364   0.00007   0.00067   0.00069   0.00136   2.05500
   A224       2.11799   0.00007  -0.00093   0.00175   0.00082   2.11880
   A225       2.11151  -0.00014   0.00029  -0.00244  -0.00216   2.10935
   A226       2.05381   0.00008   0.00069   0.00070   0.00139   2.05521
   A227       2.11752   0.00006  -0.00103   0.00174   0.00070   2.11823
   A228       2.11180  -0.00013   0.00037  -0.00244  -0.00208   2.10972
   A229       2.11977  -0.00008  -0.00119   0.00048  -0.00071   2.11906
   A230       2.07784   0.00008   0.00165  -0.00064   0.00101   2.07885
   A231       2.08557   0.00000  -0.00046   0.00016  -0.00031   2.08526
   A232       2.10416   0.00004   0.00058  -0.00049   0.00009   2.10425
   A233       2.08674   0.00006   0.00013   0.00060   0.00073   2.08747
   A234       2.09227  -0.00010  -0.00069  -0.00012  -0.00081   2.09146
   A235       2.08011  -0.00012  -0.00004  -0.00031  -0.00035   2.07976
   A236       2.09928   0.00017   0.00111   0.00035   0.00146   2.10074
   A237       2.10378  -0.00005  -0.00108  -0.00003  -0.00111   2.10266
    D1       -0.00385  -0.00003   0.00075  -0.00182  -0.00108  -0.00493
    D2        3.10809  -0.00006  -0.00203  -0.00082  -0.00286   3.10523
    D3        3.14034  -0.00003   0.00129  -0.00208  -0.00079   3.13956
    D4       -0.03091  -0.00006  -0.00149  -0.00107  -0.00257  -0.03348
    D5        0.00107   0.00004   0.00266   0.00103   0.00368   0.00476
    D6        3.11518  -0.00003  -0.00064   0.00012  -0.00054   3.11464
    D7        3.14007   0.00004   0.00211   0.00128   0.00339  -3.13973
    D8       -0.02901  -0.00003  -0.00119   0.00037  -0.00083  -0.02984
    D9        2.48389   0.00003   0.01207  -0.00210   0.00997   2.49387
   D10       -0.65832   0.00003   0.01297  -0.00292   0.01005  -0.64827
   D11       -0.65503   0.00004   0.01263  -0.00236   0.01027  -0.64476
   D12        2.48594   0.00003   0.01353  -0.00318   0.01035   2.49629
   D13        0.00414  -0.00002  -0.00494   0.00075  -0.00419  -0.00004
   D14        3.12690  -0.00001  -0.00960   0.00272  -0.00688   3.12003
   D15       -3.10719   0.00001  -0.00213  -0.00022  -0.00236  -3.10955
   D16        0.01557   0.00002  -0.00679   0.00175  -0.00505   0.01052
   D17       -0.00170   0.00006   0.00581   0.00112   0.00692   0.00522
   D18       -3.13434   0.00000   0.00985  -0.00138   0.00848  -3.12586
   D19       -3.12496   0.00005   0.01035  -0.00083   0.00953  -3.11542
   D20        0.02559  -0.00001   0.01440  -0.00332   0.01109   0.03668
   D21       -3.13531  -0.00012  -0.00267  -0.00526  -0.00793   3.13995
   D22        0.00370  -0.00008  -0.00917  -0.00139  -0.01057  -0.00687
   D23       -0.01288  -0.00011  -0.00741  -0.00326  -0.01067  -0.02354
   D24        3.12613  -0.00007  -0.01391   0.00061  -0.01331   3.11282
   D25       -0.00092  -0.00006  -0.00263  -0.00190  -0.00453  -0.00545
   D26       -3.12988  -0.00004  -0.00134  -0.00110  -0.00244  -3.13232
   D27        3.13176   0.00000  -0.00665   0.00058  -0.00608   3.12568
   D28        0.00280   0.00002  -0.00536   0.00137  -0.00399  -0.00119
   D29        0.00547  -0.00002  -0.00679   0.00277  -0.00403   0.00144
   D30        3.13526   0.00009  -0.00745   0.00599  -0.00146   3.13380
   D31       -3.12717  -0.00008  -0.00274   0.00028  -0.00247  -3.12964
   D32        0.00262   0.00003  -0.00341   0.00350   0.00010   0.00272
   D33        0.00125   0.00001  -0.00172   0.00081  -0.00091   0.00034
   D34       -3.11279   0.00006   0.00155   0.00169   0.00323  -3.10955
   D35        3.12983  -0.00001  -0.00304   0.00002  -0.00301   3.12682
   D36        0.01580   0.00005   0.00023   0.00091   0.00113   0.01693
   D37       -0.03074   0.00021  -0.00723   0.01009   0.00285  -0.02789
   D38        3.10678   0.00025  -0.00813   0.01068   0.00254   3.10931
   D39        3.11336   0.00017  -0.00094   0.00635   0.00540   3.11876
   D40       -0.03231   0.00021  -0.00185   0.00694   0.00509  -0.02723
   D41       -3.12844   0.00000   0.00570  -0.00115   0.00458  -3.12386
   D42        0.04187   0.00002   0.00395  -0.00011   0.00385   0.04572
   D43        0.01063   0.00004  -0.00063   0.00262   0.00201   0.01264
   D44       -3.10224   0.00006  -0.00238   0.00366   0.00128  -3.10096
   D45        0.06227  -0.00025   0.01505  -0.01079   0.00428   0.06655
   D46       -3.07435  -0.00042   0.00641  -0.01282  -0.00648  -3.08083
   D47       -3.07515  -0.00029   0.01597  -0.01140   0.00460  -3.07055
   D48        0.07141  -0.00046   0.00733  -0.01342  -0.00616   0.06525
   D49        0.03158  -0.00030   0.00351  -0.01187  -0.00837   0.02321
   D50       -3.11975  -0.00022  -0.01611   0.00333  -0.01278  -3.13253
   D51       -3.11420  -0.00026   0.00258  -0.01126  -0.00869  -3.12288
   D52        0.01766  -0.00018  -0.01704   0.00394  -0.01310   0.00455
   D53       -0.04993   0.00014  -0.00820   0.00437  -0.00384  -0.05377
   D54        3.10391   0.00003  -0.00749   0.00102  -0.00650   3.09741
   D55        3.08693   0.00031   0.00019   0.00627   0.00638   3.09332
   D56       -0.04241   0.00020   0.00090   0.00292   0.00373  -0.03868
   D57       -3.10011  -0.00019  -0.00491  -0.00026  -0.00515  -3.10526
   D58        0.11934  -0.00006  -0.00289  -0.00246  -0.00537   0.11397
   D59        0.15614  -0.00019  -0.00775  -0.00894  -0.01682   0.13932
   D60        0.04629  -0.00035  -0.01340  -0.00219  -0.01556   0.03073
   D61       -3.01745  -0.00022  -0.01137  -0.00439  -0.01577  -3.03322
   D62       -2.98064  -0.00035  -0.01623  -0.01087  -0.02722  -3.00787
   D63       -3.12301  -0.00014   0.00798  -0.00575   0.00221  -3.12080
   D64        0.00645  -0.00003   0.00726  -0.00241   0.00485   0.01130
   D65        0.01246  -0.00019   0.00141  -0.00726  -0.00584   0.00662
   D66       -3.13116  -0.00014  -0.00001  -0.00478  -0.00479  -3.13596
   D67        3.12577  -0.00020   0.00311  -0.00821  -0.00509   3.12067
   D68       -0.01785  -0.00015   0.00168  -0.00574  -0.00405  -0.02190
   D69       -0.01393   0.00010   0.00028   0.00226   0.00254  -0.01139
   D70        3.10518  -0.00001  -0.00119  -0.00107  -0.00227   3.10291
   D71        3.12969   0.00005   0.00171  -0.00022   0.00149   3.13119
   D72       -0.03438  -0.00006   0.00024  -0.00354  -0.00331  -0.03770
   D73        2.51141  -0.00001   0.01486  -0.00513   0.00973   2.52114
   D74       -0.63007  -0.00001   0.01570  -0.00553   0.01018  -0.61990
   D75       -0.63227   0.00004   0.01339  -0.00258   0.01081  -0.62146
   D76        2.50943   0.00004   0.01423  -0.00298   0.01125   2.52068
   D77       -0.00805   0.00015  -0.00273   0.00725   0.00452  -0.00353
   D78       -3.14011   0.00007   0.01644  -0.00761   0.00884  -3.13128
   D79       -3.12734   0.00024  -0.00132   0.01053   0.00919  -3.11815
   D80        0.02377   0.00016   0.01785  -0.00433   0.01351   0.03729
   D81       -0.01606   0.00029   0.01721   0.00081   0.01811   0.00205
   D82        3.11860   0.00032   0.02179   0.00003   0.02191   3.14051
   D83        3.05506   0.00018   0.01489   0.00330   0.01816   3.07321
   D84       -0.09347   0.00021   0.01946   0.00252   0.02195  -0.07152
   D85        3.03390   0.00021   0.01927   0.00784   0.02698   3.06088
   D86       -0.11462   0.00025   0.02384   0.00706   0.03077  -0.08385
   D87       -0.02210  -0.00008  -0.00905   0.00009  -0.00895  -0.03105
   D88        3.14064  -0.00013  -0.00604  -0.00235  -0.00839   3.13226
   D89        3.12631  -0.00011  -0.01349   0.00085  -0.01268   3.11363
   D90        0.00587  -0.00016  -0.01049  -0.00159  -0.01211  -0.00624
   D91       -3.13298   0.00002   0.00378  -0.00089   0.00288  -3.13010
   D92        0.00326   0.00005   0.01035  -0.00489   0.00542   0.00867
   D93        0.00152   0.00006   0.00840  -0.00167   0.00676   0.00828
   D94        3.13776   0.00008   0.01496  -0.00566   0.00929  -3.13613
   D95        0.02592  -0.00004  -0.00291   0.00072  -0.00215   0.02377
   D96       -3.13696   0.00001  -0.00599   0.00324  -0.00272  -3.13968
   D97       -0.00643   0.00008   0.00515   0.00138   0.00651   0.00008
   D98        3.10601   0.00007   0.00724  -0.00100   0.00623   3.11224
   D99       -3.12709   0.00003   0.00818  -0.00110   0.00707  -3.12002
   D100      -0.01465   0.00002   0.01027  -0.00348   0.00679  -0.00786
   D101      -0.00862   0.00011  -0.00101   0.00524   0.00424  -0.00438
   D102       3.10724   0.00004   0.00494  -0.00131   0.00365   3.11088
   D103       3.13854   0.00009  -0.00774   0.00938   0.00161   3.14015
   D104      -0.02879   0.00002  -0.00180   0.00284   0.00102  -0.02777
   D105       0.00810  -0.00019  -0.00431  -0.00545  -0.00975  -0.00165
   D106      -3.13332  -0.00018  -0.00253  -0.00583  -0.00835   3.14151
   D107      -3.10788  -0.00010  -0.01023   0.00115  -0.00909  -3.11696
   D108       0.03388  -0.00009  -0.00845   0.00077  -0.00768   0.02620
   D109      -0.00029   0.00008   0.00212   0.00197   0.00408   0.00379
   D110      -3.11145   0.00010  -0.00010   0.00447   0.00437  -3.10708
   D111       3.14113   0.00007   0.00031   0.00236   0.00267  -3.13939
   D112       0.02997   0.00009  -0.00191   0.00486   0.00295   0.03292
   D113       0.65125  -0.00021   0.01013  -0.00506   0.00507   0.65632
   D114      -2.49483  -0.00019   0.01009  -0.00437   0.00572  -2.48911
   D115      -2.49017  -0.00020   0.01197  -0.00545   0.00652  -2.48365
   D116       0.64693  -0.00018   0.01193  -0.00476   0.00717   0.65410
   D117      -3.12928  -0.00002   0.00230  -0.00248  -0.00018  -3.12946
   D118      -0.02943  -0.00008  -0.00041  -0.00310  -0.00351  -0.03294
   D119       0.01291  -0.00001   0.00143  -0.00168  -0.00026   0.01266
   D120       3.11276  -0.00008  -0.00129  -0.00230  -0.00359   3.10917
   D121      -3.13548  -0.00000   0.00066  -0.00069  -0.00003  -3.13551
   D122      -0.03767  -0.00008  -0.00167  -0.00224  -0.00391  -0.04158
   D123       0.00551  -0.00001   0.00154  -0.00149   0.00004   0.00555
   D124       3.10333  -0.00008  -0.00080  -0.00303  -0.00384   3.09949
   D125      -3.12783  -0.00001   0.00217  -0.00175   0.00043  -3.12741
   D126      -0.02796  -0.00008  -0.00063  -0.00278  -0.00342  -0.03138
   D127       0.01365  -0.00001   0.00136  -0.00136  -0.00000   0.01365
   D128       3.11352  -0.00008  -0.00145  -0.00239  -0.00385   3.10968
   D129      -3.13587   0.00000   0.00049  -0.00084  -0.00035  -3.13622
   D130      -0.04004  -0.00009  -0.00226  -0.00265  -0.00492  -0.04496
   D131       0.00583  -0.00000   0.00131  -0.00123   0.00008   0.00591
   D132       3.10166  -0.00009  -0.00144  -0.00304  -0.00449   3.09717
   D133       3.12408  -0.00000  -0.00082   0.00038  -0.00044   3.12364
   D134       0.02705   0.00005  -0.00667   0.00573  -0.00095   0.02610
   D135      -0.01315  -0.00002  -0.00077  -0.00030  -0.00107  -0.01422
   D136      -3.11018   0.00004  -0.00663   0.00504  -0.00158  -3.11176
   D137       3.14116  -0.00002  -0.00227   0.00080  -0.00146   3.13969
   D138       0.04311   0.00003  -0.00775   0.00565  -0.00210   0.04101
   D139      -0.00480  -0.00000  -0.00231   0.00148  -0.00083  -0.00563
   D140      -3.10285   0.00005  -0.00779   0.00633  -0.00146  -3.10431
   D141      -0.02090   0.00001  -0.00275   0.00273  -0.00002  -0.02092
   D142       3.09846   0.00009  -0.00036   0.00114   0.00079   3.09925
   D143      -3.12090   0.00007   0.00000   0.00373   0.00372  -3.11718
   D144      -0.00153   0.00015   0.00239   0.00213   0.00452   0.00299
   D145       0.00847  -0.00001   0.00146  -0.00153  -0.00007   0.00840
   D146      -3.13121  -0.00001   0.00138  -0.00168  -0.00030  -3.13151
   D147      -3.11113  -0.00008  -0.00092   0.00011  -0.00081  -3.11195
   D148       0.03237  -0.00008  -0.00101  -0.00004  -0.00104   0.03133
   D149       0.01074  -0.00000   0.00117  -0.00101   0.00016   0.01090
   D150      -3.10493  -0.00007  -0.00113   0.00031  -0.00081  -3.10574
   D151      -3.13276   0.00000   0.00125  -0.00087   0.00039  -3.13238
   D152       0.03475  -0.00007  -0.00105   0.00045  -0.00059   0.03416
   D153       0.97315  -0.00048  -0.03662  -0.00681  -0.04342   0.92972
   D154      -2.17308  -0.00046  -0.03570  -0.00642  -0.04212  -2.21520
   D155      -2.16651  -0.00048  -0.03670  -0.00695  -0.04365  -2.21016
   D156       0.97044  -0.00047  -0.03579  -0.00656  -0.04235   0.92810
   D157      -0.01802   0.00001  -0.00258   0.00240  -0.00018  -0.01820
   D158      -3.11401   0.00009   0.00012   0.00416   0.00427  -3.10974
   D159       3.09735   0.00009  -0.00029   0.00114   0.00087   3.09821
   D160       0.00135   0.00017   0.00241   0.00290   0.00531   0.00666
   D161      -0.01968   0.00002  -0.00279   0.00295   0.00016  -0.01951
   D162       3.09955   0.00010  -0.00023   0.00187   0.00164   3.10120
   D163      -3.11965   0.00007  -0.00013   0.00354   0.00340  -3.11624
   D164      -0.00042   0.00016   0.00243   0.00245   0.00488   0.00447
   D165       0.00783  -0.00000   0.00118  -0.00106   0.00012   0.00795
   D166      -3.13288   0.00000   0.00087  -0.00052   0.00036  -3.13252
   D167      -3.11167  -0.00008  -0.00138   0.00007  -0.00130  -3.11296
   D168       0.03082  -0.00007  -0.00168   0.00062  -0.00106   0.02976
   D169       0.01033  -0.00002   0.00174  -0.00206  -0.00032   0.01001
   D170      -3.10706  -0.00008  -0.00140   0.00019  -0.00121  -3.10827
   D171      -3.13216  -0.00003   0.00205  -0.00261  -0.00055  -3.13271
   D172       0.03364  -0.00009  -0.00109  -0.00036  -0.00144   0.03220
   D173      -2.14108  -0.00058  -0.03760  -0.01029  -0.04789  -2.18897
   D174       1.00019  -0.00058  -0.03773  -0.01031  -0.04803   0.95216
   D175       1.00141  -0.00057  -0.03791  -0.00974  -0.04765   0.95376
   D176      -2.14051  -0.00058  -0.03804  -0.00975  -0.04779  -2.18830
   D177      -0.01712   0.00002  -0.00313   0.00336   0.00023  -0.01689
   D178      -3.11505   0.00009  -0.00084   0.00486   0.00401  -3.11104
   D179       3.09998   0.00009   0.00001   0.00115   0.00118   3.10115
   D180       0.00205   0.00016   0.00230   0.00265   0.00496   0.00700
   D181       0.01994   0.00003   0.00286  -0.00082   0.00204   0.02198
   D182      -3.10005  -0.00003  -0.00124   0.00244   0.00118  -3.09887
   D183       3.11713  -0.00001   0.00864  -0.00601   0.00264   3.11977
   D184      -0.00286  -0.00007   0.00454  -0.00275   0.00178  -0.00108
   D185      -0.00860  -0.00001  -0.00189   0.00083  -0.00106  -0.00966
   D186       3.13054  -0.00001  -0.00168   0.00085  -0.00083   3.12972
   D187       3.11162   0.00004   0.00222  -0.00246  -0.00025   3.11137
   D188      -0.03242   0.00005   0.00243  -0.00244  -0.00002  -0.03244
   D189      -0.00911  -0.00001  -0.00116   0.00034  -0.00083  -0.00994
   D190       3.10745   0.00004   0.00313  -0.00310   0.00002   3.10747
   D191       3.13493  -0.00001  -0.00137   0.00032  -0.00106   3.13387
   D192      -0.03169   0.00004   0.00292  -0.00312  -0.00021  -0.03191
   D193       2.18900   0.00041   0.03737   0.00416   0.04154   2.23054
   D194      -0.95708   0.00042   0.03771   0.00447   0.04218  -0.91490
   D195      -0.95507   0.00041   0.03759   0.00418   0.04177  -0.91330
   D196       2.18204   0.00042   0.03792   0.00449   0.04241   2.22445
   D197       0.01591   0.00002   0.00330  -0.00150   0.00179   0.01770
   D198       3.11394  -0.00001   0.00870  -0.00619   0.00252   3.11646
   D199      -3.10037  -0.00004  -0.00099   0.00189   0.00089  -3.09947
   D200      -0.00233  -0.00007   0.00442  -0.00280   0.00161  -0.00072
   D201       3.14020   0.00000  -0.00023   0.00018  -0.00005   3.14014
   D202       0.02948  -0.00007   0.00295  -0.00121   0.00174   0.03122
   D203      -0.00112   0.00000  -0.00012   0.00019   0.00007  -0.00105
   D204      -3.11184  -0.00007   0.00306  -0.00120   0.00186  -3.10998
   D205       3.14100   0.00000   0.00018  -0.00007   0.00011   3.14111
   D206       0.02994  -0.00006   0.00322  -0.00125   0.00197   0.03191
   D207      -0.00087   0.00000   0.00007  -0.00008  -0.00001  -0.00088
   D208      -3.11193  -0.00007   0.00311  -0.00126   0.00185  -3.11009
   D209       3.13677   0.00002   0.00045   0.00074   0.00119   3.13796
   D210       0.02779  -0.00004   0.00405  -0.00062   0.00344   0.03123
   D211      -0.00086   0.00001  -0.00034   0.00042   0.00008  -0.00078
   D212      -3.10985  -0.00006   0.00327  -0.00094   0.00233  -3.10752
   D213      -3.13904  -0.00001  -0.00066  -0.00036  -0.00102  -3.14006
   D214       0.03635  -0.00008   0.00321  -0.00185   0.00136   0.03771
   D215      -0.00141   0.00000   0.00012  -0.00003   0.00009  -0.00131
   D216      -3.10920  -0.00006   0.00399  -0.00152   0.00247  -3.10673
   D217       3.13921   0.00001   0.00022   0.00032   0.00054   3.13975
   D218      -0.03683   0.00006  -0.00372   0.00134  -0.00238  -0.03921
   D219       0.00144  -0.00000  -0.00006   0.00006  -0.00001   0.00143
   D220       3.10859   0.00005  -0.00400   0.00108  -0.00293   3.10566
   D221      -3.13691  -0.00002  -0.00013  -0.00065  -0.00078  -3.13769
   D222      -0.02950   0.00004  -0.00407   0.00077  -0.00330  -0.03280
   D223       0.00086  -0.00001   0.00016  -0.00039  -0.00024   0.00062
   D224       3.10827   0.00005  -0.00378   0.00103  -0.00275   3.10551
   D225       0.00272  -0.00001   0.00042  -0.00063  -0.00021   0.00251
   D226      -3.13672   0.00008   0.00218   0.00194   0.00412  -3.13260
   D227       3.11471   0.00005  -0.00288   0.00069  -0.00219   3.11252
   D228      -0.02473   0.00014  -0.00112   0.00326   0.00214  -0.02259
   D229       3.12646  -0.00002  -0.00271  -0.00036  -0.00307   3.12339
   D230      -0.00603  -0.00008  -0.00559   0.00004  -0.00555  -0.01158
   D231       0.02110  -0.00009   0.00130  -0.00190  -0.00060   0.02050
   D232      -3.11139  -0.00015  -0.00158  -0.00150  -0.00308  -3.11446
   D233      -0.00352   0.00001  -0.00034   0.00060   0.00026  -0.00326
   D234       3.13471  -0.00010  -0.00287  -0.00225  -0.00512   3.12959
   D235       3.13548  -0.00010  -0.00245  -0.00248  -0.00493   3.13055
   D236      -0.00947  -0.00021  -0.00498  -0.00533  -0.01031  -0.01978
   D237       0.01040  -0.00008   0.00084  -0.00247  -0.00163   0.00877
   D238      -3.13743  -0.00007  -0.00085  -0.00142  -0.00228  -3.13971
   D239      -3.12834   0.00004   0.00316   0.00092   0.00407  -3.12427
   D240       0.00700   0.00006   0.00147   0.00197   0.00343   0.01044
   D241       0.00305  -0.00001   0.00014  -0.00035  -0.00022   0.00284
   D242       3.11397   0.00005  -0.00340   0.00109  -0.00231   3.11166
   D243      -3.13574   0.00008   0.00225   0.00202   0.00427  -3.13148
   D244      -0.02482   0.00014  -0.00129   0.00346   0.00217  -0.02265
   D245      -3.12746   0.00004   0.00364   0.00056   0.00420  -3.12326
   D246       0.00714   0.00006   0.00189   0.00186   0.00374   0.01088
   D247       0.01044  -0.00009   0.00085  -0.00257  -0.00172   0.00872
   D248      -3.13815  -0.00006  -0.00090  -0.00127  -0.00217  -3.14032
   D249       3.12514  -0.00002  -0.00285  -0.00032  -0.00317   3.12197
   D250      -0.00582  -0.00009  -0.00515  -0.00055  -0.00570  -0.01152
   D251       0.02110  -0.00009   0.00146  -0.00201  -0.00056   0.02054
   D252      -3.10987  -0.00016  -0.00085  -0.00224  -0.00308  -3.11295
   D253       0.00261  -0.00001   0.00012  -0.00023  -0.00010   0.00251
   D254      -3.13691   0.00008   0.00210   0.00202   0.00413  -3.13278
   D255       3.11616   0.00006  -0.00279   0.00111  -0.00167   3.11449
   D256      -0.02336   0.00015  -0.00080   0.00336   0.00256  -0.02081
   D257       3.12717  -0.00002  -0.00241  -0.00071  -0.00312   3.12405
   D258      -0.00522  -0.00009  -0.00535  -0.00033  -0.00568  -0.01089
   D259       0.01989  -0.00010   0.00112  -0.00228  -0.00116   0.01874
   D260      -3.11250  -0.00016  -0.00181  -0.00190  -0.00371  -3.11621
   D261      -0.00309   0.00001  -0.00008   0.00017   0.00010  -0.00299
   D262       3.13619  -0.00010  -0.00241  -0.00254  -0.00495   3.13124
   D263       3.13601  -0.00010  -0.00246  -0.00252  -0.00498   3.13103
   D264      -0.00790  -0.00021  -0.00479  -0.00524  -0.01003  -0.01793
   D265       0.00984  -0.00008   0.00059  -0.00222  -0.00163   0.00821
   D266      -3.13797  -0.00006  -0.00097  -0.00124  -0.00221  -3.14017
   D267      -3.12902   0.00003   0.00320   0.00075   0.00395  -3.12506
   D268       0.00636   0.00005   0.00165   0.00173   0.00338   0.00974
   D269       0.00246  -0.00001   0.00000  -0.00006  -0.00006   0.00241
   D270       3.11632   0.00006  -0.00278   0.00109  -0.00169   3.11463
   D271      -3.13721   0.00008   0.00195   0.00220   0.00415  -3.13306
   D272      -0.02335   0.00014  -0.00084   0.00335   0.00252  -0.02083
   D273      -3.12920   0.00003   0.00314   0.00070   0.00385  -3.12535
   D274       0.00620   0.00005   0.00163   0.00171   0.00334   0.00953
   D275       0.00985  -0.00008   0.00058  -0.00228  -0.00170   0.00815
   D276      -3.13794  -0.00006  -0.00094  -0.00127  -0.00222  -3.14015
   D277       3.12752  -0.00002  -0.00221  -0.00086  -0.00307   3.12445
   D278      -0.00489  -0.00009  -0.00511  -0.00049  -0.00559  -0.01048
   D279       0.01987  -0.00009   0.00118  -0.00221  -0.00103   0.01883
   D280      -3.11254  -0.00016  -0.00172  -0.00184  -0.00355  -3.11609
   D281      -0.00311   0.00001  -0.00005   0.00029   0.00024  -0.00287
   D282       3.13561  -0.00009  -0.00210  -0.00220  -0.00429   3.13131
   D283      -3.11345  -0.00004   0.00354  -0.00073   0.00281  -3.11064
   D284       0.02527  -0.00014   0.00149  -0.00321  -0.00173   0.02354
   D285      -3.12502   0.00003   0.00271   0.00069   0.00341  -3.12162
   D286       0.00608   0.00009   0.00521   0.00052   0.00573   0.01180
   D287      -0.02170   0.00008  -0.00166   0.00186   0.00020  -0.02150
   D288       3.10940   0.00015   0.00083   0.00169   0.00252   3.11192
   D289       0.00357  -0.00001   0.00014  -0.00052  -0.00038   0.00319
   D290      -3.13455   0.00009   0.00256   0.00229   0.00484  -3.12971
   D291      -3.13457   0.00010   0.00260   0.00246   0.00506  -3.12951
   D292       0.01051   0.00021   0.00501   0.00526   0.01027   0.02078
   D293      -0.01040   0.00008  -0.00091   0.00239   0.00149  -0.00891
   D294       3.13808   0.00006   0.00079   0.00124   0.00204   3.14011
   D295       3.12739  -0.00004  -0.00361  -0.00088  -0.00449   3.12291
   D296      -0.00732  -0.00006  -0.00191  -0.00204  -0.00394  -0.01126
   D297      -0.00275   0.00001  -0.00018   0.00056   0.00038  -0.00237
   D298      -3.11332  -0.00005   0.00341  -0.00082   0.00259  -3.11073
   D299       3.13595  -0.00008  -0.00220  -0.00178  -0.00398   3.13197
   D300       0.02538  -0.00014   0.00139  -0.00316  -0.00177   0.02361
   D301       3.12719  -0.00004  -0.00354  -0.00063  -0.00416   3.12303
   D302      -0.00780  -0.00006  -0.00180  -0.00179  -0.00359  -0.01138
   D303      -0.01057   0.00008  -0.00088   0.00245   0.00157  -0.00900
   D304       3.13762   0.00006   0.00086   0.00129   0.00215   3.13977
   D305      -3.12531   0.00002   0.00280   0.00014   0.00293  -3.12237
   D306       0.00633   0.00008   0.00542  -0.00009   0.00533   0.01166
   D307      -0.02169   0.00008  -0.00158   0.00175   0.00017  -0.02152
   D308       3.10995   0.00015   0.00104   0.00153   0.00256   3.11251
   D309       0.00653  -0.00002  -0.00064   0.00040  -0.00024   0.00629
   D310      -3.13956  -0.00002   0.00157  -0.00153   0.00004  -3.13952
   D311      -3.12805  -0.00004   0.00111  -0.00090   0.00021  -3.12784
   D312       0.00905  -0.00004   0.00332  -0.00283   0.00049   0.00954
   D313      -0.01014   0.00008   0.00085   0.00105   0.00191  -0.00824
   D314       3.13098   0.00000   0.00006  -0.00117  -0.00111   3.12987
   D315       3.13593   0.00007  -0.00134   0.00298   0.00163   3.13756
   D316      -0.00613   0.00000  -0.00214   0.00075  -0.00139  -0.00751
   D317      -0.00368  -0.00002  -0.00122  -0.00026  -0.00148  -0.00516
   D318       3.12732   0.00005   0.00105  -0.00001   0.00105   3.12837
   D319       3.13838   0.00005  -0.00043   0.00196   0.00153   3.13991
   D320      -0.01381   0.00013   0.00184   0.00221   0.00406  -0.00976
   D321      -0.00384  -0.00002  -0.00124  -0.00018  -0.00142  -0.00526
   D322       3.13707   0.00006  -0.00073   0.00234   0.00161   3.13868
   D323       3.12868   0.00005   0.00162  -0.00055   0.00107   3.12974
   D324      -0.01360   0.00012   0.00212   0.00197   0.00409  -0.00951
   D325      -0.00990   0.00007   0.00102   0.00087   0.00189  -0.00801
   D326       3.13502   0.00008  -0.00144   0.00326   0.00182   3.13684
   D327       3.13237  -0.00000   0.00051  -0.00166  -0.00115   3.13122
   D328      -0.00589   0.00000  -0.00194   0.00072  -0.00122  -0.00711
   D329       0.00640  -0.00002  -0.00079   0.00049  -0.00030   0.00610
   D330      -3.12893  -0.00004   0.00090  -0.00056   0.00033  -3.12860
   D331      -3.13854  -0.00003   0.00168  -0.00190  -0.00022  -3.13876
   D332       0.00931  -0.00005   0.00337  -0.00296   0.00041   0.00972
   D333       0.00604  -0.00002  -0.00069   0.00023  -0.00046   0.00558
   D334      -3.13909  -0.00003   0.00174  -0.00189  -0.00015  -3.13925
   D335      -3.12934  -0.00004   0.00082  -0.00078   0.00004  -3.12930
   D336       0.00871  -0.00005   0.00326  -0.00290   0.00035   0.00906
   D337      -0.00941   0.00007   0.00108   0.00091   0.00199  -0.00742
   D338       3.13230   0.00000   0.00044  -0.00137  -0.00092   3.13138
   D339       3.13571   0.00008  -0.00135   0.00303   0.00168   3.13739
   D340      -0.00576   0.00000  -0.00198   0.00075  -0.00123  -0.00699
   D341      -0.00354  -0.00001  -0.00128   0.00006  -0.00122  -0.00476
   D342       3.12890   0.00005   0.00159  -0.00029   0.00130   3.13020
   D343       3.13794   0.00006  -0.00065   0.00233   0.00168   3.13962
   D344      -0.01282   0.00012   0.00222   0.00198   0.00421  -0.00861
   D345      -0.00356  -0.00001  -0.00125   0.00013  -0.00112  -0.00468
   D346       3.13793   0.00006  -0.00055   0.00239   0.00183   3.13976
   D347       3.12885   0.00006   0.00166  -0.00023   0.00144   3.13029
   D348      -0.01285   0.00013   0.00235   0.00203   0.00439  -0.00846
   D349      -0.00942   0.00007   0.00109   0.00091   0.00200  -0.00742
   D350       3.13569   0.00008  -0.00129   0.00300   0.00171   3.13740
   D351       3.13228   0.00000   0.00039  -0.00135  -0.00096   3.13132
   D352      -0.00579   0.00000  -0.00199   0.00074  -0.00125  -0.00704
   D353       0.00606  -0.00003  -0.00072   0.00016  -0.00056   0.00550
   D354      -3.12930  -0.00004   0.00083  -0.00082   0.00000  -3.12930
   D355      -3.13906  -0.00003   0.00167  -0.00193  -0.00026  -3.13933
   D356       0.00876  -0.00005   0.00322  -0.00292   0.00030   0.00906
   D357      -0.00673   0.00002   0.00061  -0.00049   0.00012  -0.00661
   D358       3.13873   0.00003  -0.00165   0.00177   0.00012   3.13885
   D359       3.12824   0.00004  -0.00113   0.00068  -0.00044   3.12780
   D360      -0.00948   0.00004  -0.00338   0.00294  -0.00044  -0.00993
   D361       0.01029  -0.00007  -0.00085  -0.00093  -0.00177   0.00851
   D362      -3.13165   0.00001  -0.00018   0.00156   0.00138  -3.13027
   D363      -3.13516  -0.00008   0.00140  -0.00318  -0.00178  -3.13694
   D364       0.00608  -0.00000   0.00207  -0.00069   0.00138   0.00746
   D365       0.00393   0.00002   0.00129   0.00031   0.00161   0.00553
   D366      -3.12775  -0.00005  -0.00130   0.00051  -0.00079  -3.12854
   D367      -3.13732  -0.00006   0.00063  -0.00217  -0.00154  -3.13886
   D368       0.01419  -0.00012  -0.00196  -0.00197  -0.00394   0.01025
   D369       0.00397   0.00002   0.00128   0.00026   0.00154   0.00551
   D370      -3.13794  -0.00005   0.00065  -0.00204  -0.00139  -3.13933
   D371      -3.12717  -0.00005  -0.00118   0.00040  -0.00078  -3.12795
   D372       0.01411  -0.00012  -0.00181  -0.00190  -0.00371   0.01040
   D373       0.01032  -0.00007  -0.00077  -0.00099  -0.00175   0.00857
   D374      -3.13574  -0.00007   0.00144  -0.00300  -0.00155  -3.13729
   D375      -3.13095   0.00000  -0.00013   0.00132   0.00119  -3.12976
   D376       0.00617  -0.00000   0.00208  -0.00069   0.00139   0.00756
   D377      -0.00688   0.00002   0.00055  -0.00038   0.00017  -0.00671
   D378       3.12782   0.00004  -0.00115   0.00078  -0.00036   3.12745
   D379       3.13920   0.00002  -0.00167   0.00164  -0.00003   3.13917
   D380      -0.00929   0.00004  -0.00337   0.00280  -0.00057  -0.00986
         Item               Value     Threshold  Converged?
 Maximum Force            0.001801     0.000450     NO 
 RMS     Force            0.000251     0.000300     YES
 Maximum Displacement     0.523232     0.001800     NO 
 RMS     Displacement     0.077511     0.001200     NO 
 Predicted change in Energy=-2.457912D-04
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C74H46ClN5
 Framework group  C1[X(C74H46ClN5)]
 Deg. of freedom   372
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        1.258955    2.452531   -0.067239
      2          6           0        1.597341    1.098997   -0.021846
      3          6           0        0.629601    0.078133   -0.008701
      4          6           0       -0.732579    0.456084   -0.043188
      5          6           0       -1.079999    1.818885   -0.095339
      6          6           0       -0.107775    2.799343   -0.107068
      7          6           0        0.991248   -1.349963    0.012409
      8          6           0       -0.019143   -2.355221    0.027278
      9          6           0       -1.413575   -1.954200    0.056719
     10          6           0       -1.779247   -0.560570   -0.011688
     11          6           0        2.332272   -1.763504    0.012248
     12          6           0        2.708234   -3.109313    0.011124
     13          6           0        1.689548   -4.082199    0.001889
     14          6           0        0.357931   -3.716610    0.007655
     15          7           0       -2.416130   -2.846640    0.141048
     16          6           0       -3.728909   -2.475611    0.127201
     17          6           0       -4.030243   -1.085669    0.016112
     18          7           0       -3.043856   -0.164440   -0.036613
     19          6           0       -4.771042   -3.428037    0.215546
     20          6           0       -6.071307   -2.983922    0.181807
     21          6           0       -6.409326   -1.598095    0.066300
     22          6           0       -5.384099   -0.672004   -0.012311
     23          6           0        2.310854    3.498771   -0.077078
     24          6           0        4.137715   -3.500493    0.018162
     25          6           0       -7.829565   -1.177024    0.034724
     26          6           0        4.567889   -4.639726    0.720032
     27          6           0        5.909463   -5.005292    0.746261
     28          6           0        6.860411   -4.251019    0.046361
     29          6           0        6.443875   -3.120979   -0.669779
     30          6           0        5.103853   -2.748908   -0.672219
     31          6           0        2.158959    4.667948   -0.841359
     32          6           0        3.147577    5.646335   -0.866350
     33          6           0        4.312461    5.491151   -0.104094
     34          6           0        4.471935    4.336947    0.673352
     35          6           0        3.488056    3.353420    0.676108
     36          6           0       -8.793200   -1.821213    0.828956
     37          6           0      -10.123188   -1.414335    0.817248
     38          6           0      -10.532186   -0.362937   -0.013843
     39          6           0       -9.583681    0.278734   -0.821808
     40          6           0       -8.251527   -0.118504   -0.787160
     41          7           0        5.317668    6.491359   -0.118320
     42          7           0        8.226719   -4.627167    0.060537
     43          7           0      -11.888485    0.044874   -0.039257
     44          6           0        8.734334   -5.891622   -0.272083
     45          6           0       10.145009   -5.869821   -0.139328
     46          6           0       10.507100   -4.536766    0.295273
     47          6           0        9.302892   -3.797645    0.405943
     48          6           0        6.671329    6.290064   -0.421216
     49          6           0        7.352149    7.529766   -0.329816
     50          6           0        6.368794    8.523513    0.047871
     51          6           0        5.127362    7.850329    0.167581
     52          6           0      -12.355226    1.356060    0.134967
     53          6           0      -13.769109    1.356876    0.039660
     54          6           0      -14.176205   -0.010848   -0.206444
     55          6           0      -12.994911   -0.792331   -0.247236
     56          6           0       11.725195   -3.920676    0.602871
     57          6           0       11.727308   -2.593737    1.022435
     58          6           0       10.523242   -1.881128    1.144069
     59          6           0        9.297124   -2.470305    0.842064
     60          6           0        8.058406   -7.032110   -0.712926
     61          6           0        8.816941   -8.165801   -0.997152
     62          6           0       10.214111   -8.166817   -0.853732
     63          6           0       10.883083   -7.022761   -0.429455
     64          6           0        6.433904    9.898884    0.297561
     65          6           0        5.276223   10.576125    0.668742
     66          6           0        4.057454    9.890198    0.798734
     67          6           0        3.964715    8.521598    0.554059
     68          6           0        7.331388    5.118640   -0.800473
     69          6           0        8.696596    5.200931   -1.066914
     70          6           0        9.390105    6.418074   -0.965086
     71          6           0        8.723923    7.584360   -0.600868
     72          6           0      -15.417873   -0.626054   -0.400838
     73          6           0      -15.465387   -1.995773   -0.641724
     74          6           0      -14.283668   -2.752554   -0.697621
     75          6           0      -13.034954   -2.164838   -0.505471
     76          6           0      -11.640424    2.525210    0.407508
     77          6           0      -12.362847    3.707202    0.558420
     78          6           0      -13.762702    3.728604    0.448294
     79          6           0      -14.470482    2.557821    0.193442
     80          1           0       -2.260827   -3.946267    0.300463
     81          1           0        2.649050    0.843131   -0.026377
     82          1           0       -2.131418    2.079118   -0.112018
     83          1           0       -0.398047    3.844966   -0.117368
     84          1           0        3.118575   -1.020568    0.039386
     85          1           0        1.943870   -5.136082   -0.035544
     86          1           0       -0.395174   -4.501097    0.009978
     87          1           0       -4.512271   -4.479330    0.304484
     88          1           0       -6.874003   -3.713060    0.220152
     89          1           0       -5.580375    0.392814   -0.069209
     90          1           0        3.850126   -5.223616    1.287296
     91          1           0        6.230958   -5.864581    1.324503
     92          1           0        7.171320   -2.553770   -1.240111
     93          1           0        4.796783   -1.887631   -1.257492
     94          1           0        1.274091    4.795014   -1.457239
     95          1           0        3.032748    6.526129   -1.490188
     96          1           0        5.358270    4.227784    1.288895
     97          1           0        3.616288    2.479268    1.307051
     98          1           0       -8.492150   -2.623971    1.494755
     99          1           0      -10.848279   -1.894782    1.464779
    100          1           0       -9.902017    1.071465   -1.489790
    101          1           0       -7.533475    0.372808   -1.436341
    102          1           0       12.656299   -4.474098    0.521611
    103          1           0       12.666411   -2.104644    1.261983
    104          1           0       10.544777   -0.849790    1.483538
    105          1           0        8.371219   -1.916754    0.950379
    106          1           0        6.981442   -7.037436   -0.837060
    107          1           0        8.314102   -9.065575   -1.338752
    108          1           0       10.775449   -9.068202   -1.079281
    109          1           0       11.964793   -7.021768   -0.330660
    110          1           0        7.377710   10.429141    0.208679
    111          1           0        5.313930   11.643531    0.862901
    112          1           0        3.167214   10.434979    1.098674
    113          1           0        3.022310    7.997426    0.666806
    114          1           0        6.801019    4.177344   -0.891398
    115          1           0        9.232710    4.303788   -1.361910
    116          1           0       10.454636    6.447662   -1.175704
    117          1           0        9.259920    8.526721   -0.533796
    118          1           0      -16.331853   -0.039939   -0.370602
    119          1           0      -16.422858   -2.484886   -0.791550
    120          1           0      -14.340559   -3.818415   -0.897223
    121          1           0      -12.127719   -2.755510   -0.562504
    122          1           0      -10.560901    2.516406    0.506735
    123          1           0      -11.829212    4.629332    0.768590
    124          1           0      -14.295693    4.666817    0.567238
    125          1           0      -15.554168    2.573837    0.121562
    126         17           0       -2.324786   -5.737129    0.604984
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           0.0229875           0.0074994           0.0056928
 Standard basis: 6-31G(d,p) (6D, 7F)
 There are  1434 symmetry adapted cartesian basis functions of A   symmetry.
 There are  1434 symmetry adapted basis functions of A   symmetry.
  1434 basis functions,  2586 primitive gaussians,  1434 cartesian basis functions
   271 alpha electrons      271 beta electrons
       nuclear repulsion energy     10550.0230948321 Hartrees.
 NAtoms=  126 NActive=  126 NUniq=  126 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=T Big=T
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 One-electron integrals computed using PRISM.
 NBasis=  1434 RedAO= T EigKep=  1.51D-04  NBF=  1434
 NBsUse=  1434 1.00D-06 EigRej= -1.00D+00 NBFU=  1434
 Initial guess from the checkpoint file:  "ph.chk"
 B after Tr=     0.000000   -0.000000   -0.000000
         Rot=    1.000000    0.000349    0.000006   -0.000197 Ang=   0.05 deg.
 ExpMin= 1.43D-01 ExpMax= 2.52D+04 ExpMxC= 3.78D+03 IAcc=2 IRadAn=         4 AccDes= 0.00D+00
 Harris functional with IExCor=  402 and IRadAn=       4 diagonalized for initial guess.
 HarFok:  IExCor=  402 AccDes= 0.00D+00 IRadAn=         4 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=        2001
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Petite list used in FoFCou.
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Integral accuracy reduced to 1.0D-05 until final iterations.
 Initial convergence to 1.0D-05 achieved.  Increase integral accuracy.
 SCF Done:  E(RB3LYP) =  -3581.78121444     A.U. after   11 cycles
            NFock= 11  Conv=0.92D-08     -V/T= 2.0089
 Calling FoFJK, ICntrl=      2127 FMM=T ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000683632    0.000288298   -0.000114833
      2        6          -0.000233433   -0.000230717    0.000014495
      3        6          -0.000192450   -0.000296123    0.000055970
      4        6           0.000180613    0.000180344   -0.000049417
      5        6           0.000124246   -0.000086698   -0.000082831
      6        6           0.000175856    0.000237532   -0.000020084
      7        6          -0.000446175    0.000193288    0.000320533
      8        6           0.000729334   -0.000108448   -0.000107689
      9        6           0.001095257   -0.000511844    0.000545054
     10        6          -0.000230628    0.000720618   -0.000006950
     11        6          -0.000058630    0.000292525    0.000053730
     12        6          -0.000531499   -0.000369870    0.000175281
     13        6           0.000237007   -0.000288086    0.000162443
     14        6           0.000026798    0.000093789   -0.001070327
     15        7          -0.000111561   -0.002217179   -0.000615149
     16        6          -0.001320741    0.000289519   -0.000124607
     17        6           0.000410803    0.000070359    0.000125793
     18        7          -0.000184639    0.000315787   -0.000073104
     19        6           0.000383381   -0.000119228   -0.000216813
     20        6           0.000152220    0.000059492   -0.000274742
     21        6           0.000262275   -0.000162646    0.000045303
     22        6          -0.000085919    0.000125006    0.000312725
     23        6           0.000842157   -0.000444700    0.000122705
     24        6           0.000828081    0.000458726   -0.000032800
     25        6          -0.000360532   -0.000327030    0.000007435
     26        6          -0.000170916   -0.000112094    0.000005224
     27        6           0.000092464   -0.000175439    0.000082069
     28        6          -0.000680578   -0.000433909   -0.000045487
     29        6          -0.000090727    0.000108086   -0.000083479
     30        6          -0.000195780    0.000022805    0.000043807
     31        6          -0.000131102    0.000155465   -0.000035781
     32        6           0.000115541    0.000216424   -0.000138049
     33        6          -0.000789583    0.000459514   -0.000065369
     34        6          -0.000113831   -0.000226469    0.000119347
     35        6          -0.000225547    0.000019089   -0.000045162
     36        6           0.000135099   -0.000044854    0.000421657
     37        6           0.000119731   -0.000109075    0.000085037
     38        6           0.000692695    0.000376278   -0.000053064
     39        6          -0.000147532    0.000132528   -0.000076875
     40        6           0.000012133    0.000220079   -0.000354249
     41        7           0.000458439   -0.000279051    0.000039308
     42        7           0.000320613    0.000254987    0.000073543
     43        7          -0.000252032   -0.000140800    0.000053668
     44        6           0.000385530    0.000234744   -0.000106243
     45        6          -0.000151903   -0.000265311   -0.000392254
     46        6          -0.000309550   -0.000017590    0.000376231
     47        6           0.000408167    0.000211906    0.000064152
     48        6           0.000407744   -0.000229096   -0.000138210
     49        6          -0.000245460    0.000018288   -0.000418295
     50        6          -0.000229408    0.000238582    0.000352022
     51        6           0.000374024   -0.000177843    0.000255547
     52        6          -0.000353157   -0.000288697   -0.000005357
     53        6           0.000175683    0.000218449    0.000394646
     54        6           0.000279434    0.000081206   -0.000395890
     55        6          -0.000411842   -0.000227077   -0.000032506
     56        6          -0.000098811   -0.000104053   -0.000280024
     57        6          -0.000348480   -0.000150978    0.000106966
     58        6           0.000271914    0.000108235    0.000025891
     59        6          -0.000074186    0.000232489   -0.000105842
     60        6           0.000168168   -0.000161155    0.000098007
     61        6           0.000220666    0.000186817   -0.000023214
     62        6          -0.000291844   -0.000240340   -0.000115938
     63        6          -0.000140799   -0.000045821    0.000292447
     64        6          -0.000090303    0.000048508   -0.000296788
     65        6          -0.000319967    0.000217329    0.000069064
     66        6           0.000228585   -0.000185370    0.000044650
     67        6           0.000171578    0.000210684   -0.000083740
     68        6          -0.000089941   -0.000239267    0.000085363
     69        6           0.000278080   -0.000092898    0.000022090
     70        6          -0.000332993    0.000129291   -0.000159271
     71        6          -0.000146954    0.000084225    0.000262648
     72        6           0.000124226    0.000067146    0.000285116
     73        6           0.000336677    0.000172793   -0.000109547
     74        6          -0.000270423   -0.000109131   -0.000011917
     75        6           0.000067356   -0.000229172    0.000058674
     76        6          -0.000183194    0.000163255   -0.000070533
     77        6          -0.000211401   -0.000207336    0.000013016
     78        6           0.000294674    0.000237127    0.000114865
     79        6           0.000117781    0.000085192   -0.000284627
     80        1           0.000089169    0.000568335    0.000607290
     81        1           0.000056884    0.000022400    0.000034138
     82        1           0.000009655    0.000001800    0.000011554
     83        1          -0.000007848   -0.000067864    0.000014019
     84        1           0.000013069   -0.000054980   -0.000100605
     85        1          -0.000026802    0.000057825   -0.000038639
     86        1          -0.000452342    0.000153113    0.000151539
     87        1           0.000173424    0.000192790    0.000247353
     88        1          -0.000048083   -0.000084115   -0.000057659
     89        1          -0.000062790   -0.000071761   -0.000094481
     90        1          -0.000038669    0.000008753   -0.000057203
     91        1           0.000066328   -0.000100325   -0.000029149
     92        1          -0.000062323    0.000116156    0.000039034
     93        1          -0.000008934   -0.000063437    0.000053590
     94        1          -0.000068597   -0.000027033    0.000057450
     95        1           0.000064462    0.000093058    0.000060879
     96        1          -0.000045265   -0.000114908   -0.000048651
     97        1          -0.000002628    0.000071358   -0.000052900
     98        1           0.000114728    0.000084298   -0.000181035
     99        1           0.000026912   -0.000127887   -0.000096546
    100        1          -0.000108779    0.000071655    0.000104632
    101        1           0.000125088    0.000065933    0.000182354
    102        1           0.000031230   -0.000008082    0.000071931
    103        1           0.000038100   -0.000016135   -0.000059959
    104        1           0.000054931    0.000027890   -0.000012525
    105        1           0.000001992    0.000077738    0.000010449
    106        1           0.000076077   -0.000031052    0.000009471
    107        1           0.000050339    0.000036213    0.000016816
    108        1           0.000002439    0.000041394    0.000064633
    109        1           0.000007542    0.000033546   -0.000070981
    110        1          -0.000001575   -0.000033909    0.000068324
    111        1           0.000014953   -0.000038866   -0.000062892
    112        1           0.000053050   -0.000031464   -0.000005081
    113        1           0.000057029    0.000044046    0.000004295
    114        1           0.000004959   -0.000073998    0.000001165
    115        1           0.000052552   -0.000025358    0.000021825
    116        1           0.000026600    0.000016839    0.000068625
    117        1           0.000042806    0.000012530   -0.000064404
    118        1          -0.000036930    0.000018574   -0.000067216
    119        1          -0.000034289    0.000007881    0.000066219
    120        1          -0.000054544   -0.000034508    0.000014268
    121        1          -0.000005282   -0.000072666    0.000000986
    122        1          -0.000071241    0.000029830    0.000003307
    123        1          -0.000053693   -0.000037803   -0.000011440
    124        1          -0.000005552   -0.000033857   -0.000064681
    125        1          -0.000000145   -0.000043916    0.000069422
    126       17          -0.000224951    0.000758559    0.000051013
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.002217179 RMS     0.000267521

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.000914463 RMS     0.000135526
 Search for a local minimum.
 Step number  14 out of a maximum of  756
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points   12   13   14
 DE= -2.96D-04 DEPred=-2.46D-04 R= 1.20D+00
 TightC=F SS=  1.41D+00  RLast= 1.90D-01 DXNew= 5.0454D+00 5.7047D-01
 Trust test= 1.20D+00 RLast= 1.90D-01 DXMaxT set to 3.00D+00
 ITU=  1  1  1  1  1  1  1  1  1  1  1  0  1  0
     Eigenvalues ---    0.00605   0.01047   0.02037   0.02551   0.02576
     Eigenvalues ---    0.02663   0.02676   0.02684   0.02691   0.02693
     Eigenvalues ---    0.02701   0.02706   0.02707   0.02707   0.02711
     Eigenvalues ---    0.02714   0.02718   0.02719   0.02731   0.02743
     Eigenvalues ---    0.02756   0.02758   0.02761   0.02768   0.02768
     Eigenvalues ---    0.02770   0.02773   0.02786   0.02786   0.02786
     Eigenvalues ---    0.02787   0.02791   0.02792   0.02792   0.02793
     Eigenvalues ---    0.02793   0.02793   0.02793   0.02796   0.02801
     Eigenvalues ---    0.02802   0.02802   0.02802   0.02803   0.02805
     Eigenvalues ---    0.02807   0.02808   0.02808   0.02809   0.02809
     Eigenvalues ---    0.02810   0.02815   0.02818   0.02818   0.02818
     Eigenvalues ---    0.02819   0.02819   0.02821   0.02824   0.02833
     Eigenvalues ---    0.02837   0.02837   0.02844   0.02845   0.02845
     Eigenvalues ---    0.02845   0.02845   0.02845   0.02851   0.02853
     Eigenvalues ---    0.02862   0.02864   0.02868   0.02868   0.02868
     Eigenvalues ---    0.02869   0.02872   0.02872   0.02876   0.02876
     Eigenvalues ---    0.02877   0.02877   0.02877   0.02877   0.02880
     Eigenvalues ---    0.02884   0.02884   0.02884   0.02885   0.02885
     Eigenvalues ---    0.02885   0.02885   0.02885   0.02885   0.02892
     Eigenvalues ---    0.02894   0.02896   0.02896   0.02898   0.02898
     Eigenvalues ---    0.02899   0.02900   0.02900   0.02902   0.02904
     Eigenvalues ---    0.02909   0.02909   0.02930   0.02943   0.02943
     Eigenvalues ---    0.02977   0.03025   0.03025   0.03025   0.03113
     Eigenvalues ---    0.03136   0.03136   0.03136   0.03148   0.03186
     Eigenvalues ---    0.03283   0.03298   0.03582   0.05545   0.10579
     Eigenvalues ---    0.15458   0.15794   0.15975   0.15982   0.15986
     Eigenvalues ---    0.15986   0.15988   0.15989   0.15991   0.15994
     Eigenvalues ---    0.15995   0.15996   0.15996   0.15997   0.15997
     Eigenvalues ---    0.15997   0.15997   0.15999   0.15999   0.15999
     Eigenvalues ---    0.15999   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16002
     Eigenvalues ---    0.16004   0.16023   0.16039   0.16097   0.16161
     Eigenvalues ---    0.17555   0.22000   0.22000   0.22000   0.22000
     Eigenvalues ---    0.22000   0.22001   0.22001   0.22003   0.22054
     Eigenvalues ---    0.22399   0.22436   0.22459   0.22600   0.22601
     Eigenvalues ---    0.22602   0.22602   0.22602   0.22642   0.22777
     Eigenvalues ---    0.22966   0.22968   0.23346   0.23474   0.23502
     Eigenvalues ---    0.23611   0.23914   0.24001   0.24046   0.24290
     Eigenvalues ---    0.24485   0.24486   0.24488   0.24532   0.24535
     Eigenvalues ---    0.24586   0.24624   0.24743   0.24846   0.24978
     Eigenvalues ---    0.24984   0.24986   0.24986   0.24987   0.24989
     Eigenvalues ---    0.24994   0.24999   0.24999   0.25000   0.25000
     Eigenvalues ---    0.25000   0.25000   0.25000   0.25001   0.25002
     Eigenvalues ---    0.25007   0.25017   0.25036   0.25131   0.25481
     Eigenvalues ---    0.26242   0.33224   0.33248   0.33252   0.33254
     Eigenvalues ---    0.33256   0.33257   0.33288   0.33301   0.33390
     Eigenvalues ---    0.33393   0.33396   0.33399   0.33401   0.33430
     Eigenvalues ---    0.33562   0.33567   0.33570   0.33572   0.33576
     Eigenvalues ---    0.33590   0.33613   0.33622   0.33641   0.33645
     Eigenvalues ---    0.33651   0.33663   0.33685   0.33693   0.33714
     Eigenvalues ---    0.33725   0.33795   0.33815   0.33829   0.33831
     Eigenvalues ---    0.33835   0.33840   0.33899   0.33929   0.33930
     Eigenvalues ---    0.33932   0.33936   0.33940   0.34889   0.34917
     Eigenvalues ---    0.35003   0.35480   0.44439   0.44441   0.44441
     Eigenvalues ---    0.44980   0.48029   0.48585   0.48791   0.48968
     Eigenvalues ---    0.48970   0.49299   0.49330   0.49623   0.49815
     Eigenvalues ---    0.49817   0.49838   0.49924   0.49943   0.50050
     Eigenvalues ---    0.50136   0.50403   0.50405   0.50610   0.50611
     Eigenvalues ---    0.50615   0.50921   0.51857   0.52222   0.52312
     Eigenvalues ---    0.52656   0.53202   0.53785   0.54107   0.54113
     Eigenvalues ---    0.54200   0.54204   0.54204   0.54545   0.54628
     Eigenvalues ---    0.54989   0.55082   0.55214   0.55314   0.55332
     Eigenvalues ---    0.55341   0.55351   0.55370   0.55389   0.55433
     Eigenvalues ---    0.55627   0.55664   0.55711   0.55712   0.55731
     Eigenvalues ---    0.55947   0.55950   0.56012   0.56145   0.56147
     Eigenvalues ---    0.56147   0.56207   0.56280   0.56287   0.56325
     Eigenvalues ---    0.56525   0.56662   0.56664   0.56669   0.56670
     Eigenvalues ---    0.56676   0.56694   0.56755   0.56790   0.56905
     Eigenvalues ---    0.56909   0.56929   0.57096   0.57169   0.57171
     Eigenvalues ---    0.57172   0.57182   0.57183   0.60526   0.62998
     Eigenvalues ---    0.63581   0.66100   0.66103   0.67199   0.67692
     Eigenvalues ---    0.67696   0.67704   0.68981   0.70109   0.70134
     Eigenvalues ---    0.73868   0.76211
 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF=       -3 using points:    14   13   12   11   10    9
 RFO step:  Lambda=-1.24736835D-04.
 DidBck=F Rises=F RFO-DIIS coefs:    1.42510   -0.40051   -0.26640    0.23605    0.08653
                  RFO-DIIS coefs:   -0.08078
 Iteration  1 RMS(Cart)=  0.02628840 RMS(Int)=  0.00010381
 Iteration  2 RMS(Cart)=  0.00024553 RMS(Int)=  0.00007119
 Iteration  3 RMS(Cart)=  0.00000002 RMS(Int)=  0.00007119
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        2.63793   0.00022  -0.00013   0.00053   0.00040   2.63833
    R2        2.66566   0.00033   0.00046   0.00025   0.00071   2.66637
    R3        2.80369  -0.00041  -0.00159   0.00058  -0.00100   2.80268
    R4        2.65831   0.00016   0.00037   0.00008   0.00045   2.65876
    R5        2.04543  -0.00006   0.00036  -0.00064  -0.00028   2.04515
    R6        2.67219   0.00032  -0.00040   0.00070   0.00029   2.67248
    R7        2.78418  -0.00020  -0.00137   0.00081  -0.00057   2.78361
    R8        2.65951  -0.00001   0.00022  -0.00022   0.00001   2.65952
    R9        2.75802   0.00017  -0.00078   0.00099   0.00022   2.75824
   R10        2.60937   0.00016   0.00073  -0.00038   0.00034   2.60971
   R11        2.04709   0.00001  -0.00005   0.00005  -0.00001   2.04708
   R12        2.05076  -0.00007   0.00008  -0.00031  -0.00023   2.05053
   R13        2.69354   0.00053   0.00097   0.00049   0.00147   2.69501
   R14        2.65193   0.00004  -0.00014   0.00007  -0.00007   2.65186
   R15        2.74246   0.00016  -0.00055   0.00044  -0.00010   2.74237
   R16        2.66977  -0.00013   0.00072  -0.00084  -0.00011   2.66966
   R17        2.72579   0.00091   0.00232   0.00032   0.00265   2.72845
   R18        2.54144  -0.00032   0.00095  -0.00114  -0.00010   2.54134
   R19        2.50471   0.00009  -0.00103   0.00090  -0.00022   2.50448
   R20        2.64058   0.00016   0.00015   0.00033   0.00047   2.64106
   R21        2.04489  -0.00002   0.00037  -0.00051  -0.00014   2.04475
   R22        2.66197   0.00008  -0.00099   0.00084  -0.00016   2.66182
   R23        2.80068  -0.00043  -0.00150   0.00041  -0.00109   2.79959
   R24        2.60953   0.00003   0.00084  -0.00070   0.00014   2.60967
   R25        2.04994  -0.00006   0.00020  -0.00040  -0.00020   2.04974
   R26        2.05502  -0.00044  -0.00282   0.00162  -0.00121   2.05382
   R27        2.57810   0.00002   0.00006  -0.00037  -0.00020   2.57790
   R28        2.12013  -0.00066   0.00568  -0.00760  -0.00197   2.11815
   R29        5.53483  -0.00068  -0.00494  -0.00515  -0.01003   5.52481
   R30        2.69581   0.00027  -0.00063   0.00066   0.00005   2.69586
   R31        2.67312   0.00063   0.00059   0.00054   0.00116   2.67428
   R32        2.55246   0.00029  -0.00113   0.00141   0.00020   2.55266
   R33        2.67572   0.00016  -0.00021   0.00041   0.00019   2.67591
   R34        2.59730  -0.00001   0.00074  -0.00067   0.00007   2.59738
   R35        2.05285  -0.00017  -0.00020  -0.00045  -0.00064   2.05220
   R36        2.70443  -0.00016  -0.00057   0.00002  -0.00057   2.70386
   R37        2.05053  -0.00001  -0.00009   0.00001  -0.00008   2.05046
   R38        2.61501   0.00029   0.00071   0.00005   0.00074   2.61575
   R39        2.79997   0.00005   0.00052  -0.00005   0.00047   2.80044
   R40        2.04894  -0.00006  -0.00007  -0.00018  -0.00025   2.04869
   R41        2.65516   0.00025  -0.00004   0.00044   0.00040   2.65556
   R42        2.65520   0.00025   0.00005   0.00039   0.00044   2.65564
   R43        2.65607   0.00022   0.00003   0.00033   0.00036   2.65643
   R44        2.65567   0.00026   0.00005   0.00045   0.00049   2.65616
   R45        2.65530   0.00021   0.00018   0.00013   0.00031   2.65561
   R46        2.65505   0.00025   0.00022   0.00025   0.00047   2.65552
   R47        2.62811   0.00004   0.00036  -0.00029   0.00007   2.62818
   R48        2.05094  -0.00001  -0.00012   0.00005  -0.00007   2.05087
   R49        2.64770   0.00016   0.00064  -0.00013   0.00051   2.64821
   R50        2.04937   0.00010   0.00020   0.00001   0.00021   2.04959
   R51        2.64788   0.00016   0.00073  -0.00019   0.00054   2.64842
   R52        2.67814  -0.00074  -0.00189   0.00013  -0.00176   2.67638
   R53        2.62808   0.00005   0.00033  -0.00024   0.00008   2.62816
   R54        2.04944   0.00011   0.00020   0.00005   0.00025   2.04970
   R55        2.05158  -0.00004  -0.00009  -0.00006  -0.00015   2.05143
   R56        2.62885   0.00005   0.00039  -0.00027   0.00013   2.62897
   R57        2.05142  -0.00003  -0.00012  -0.00000  -0.00012   2.05129
   R58        2.64701   0.00017   0.00069  -0.00016   0.00053   2.64755
   R59        2.04963   0.00010   0.00021  -0.00001   0.00021   2.04984
   R60        2.64699   0.00020   0.00078  -0.00016   0.00062   2.64761
   R61        2.67986  -0.00081  -0.00196   0.00008  -0.00188   2.67797
   R62        2.62893   0.00002   0.00029  -0.00028   0.00001   2.62894
   R63        2.04963   0.00011   0.00022   0.00001   0.00023   2.04986
   R64        2.05161  -0.00004  -0.00003  -0.00013  -0.00016   2.05145
   R65        2.62839   0.00004   0.00030  -0.00023   0.00007   2.62846
   R66        2.05132   0.00002  -0.00033   0.00034   0.00000   2.05133
   R67        2.64793   0.00012   0.00049  -0.00009   0.00040   2.64833
   R68        2.04918   0.00011   0.00017   0.00006   0.00023   2.04941
   R69        2.64846   0.00020   0.00058   0.00000   0.00058   2.64904
   R70        2.67682  -0.00065  -0.00174   0.00020  -0.00154   2.67528
   R71        2.62776  -0.00001   0.00021  -0.00025  -0.00004   2.62773
   R72        2.04925   0.00011   0.00016   0.00008   0.00024   2.04949
   R73        2.05139   0.00001  -0.00027   0.00023  -0.00003   2.05136
   R74        2.64876  -0.00004  -0.00150   0.00134  -0.00017   2.64859
   R75        2.64882  -0.00000  -0.00149   0.00140  -0.00010   2.64873
   R76        2.65044  -0.00006  -0.00146   0.00127  -0.00019   2.65025
   R77        2.64937  -0.00007  -0.00150   0.00129  -0.00021   2.64916
   R78        2.65061  -0.00008  -0.00141   0.00121  -0.00020   2.65041
   R79        2.65124  -0.00009  -0.00142   0.00119  -0.00023   2.65102
   R80        2.67788   0.00037   0.00023   0.00048   0.00071   2.67860
   R81        2.64017   0.00021   0.00071  -0.00010   0.00061   2.64078
   R82        2.73653   0.00016  -0.00084   0.00084   0.00000   2.73654
   R83        2.64440   0.00014   0.00039  -0.00005   0.00033   2.64473
   R84        2.67826   0.00038   0.00022   0.00050   0.00072   2.67898
   R85        2.64422   0.00013   0.00038  -0.00006   0.00032   2.64455
   R86        2.64026   0.00021   0.00069  -0.00009   0.00060   2.64086
   R87        2.67830   0.00037   0.00023   0.00048   0.00070   2.67901
   R88        2.64004   0.00022   0.00067  -0.00004   0.00063   2.64068
   R89        2.73663   0.00016  -0.00082   0.00080  -0.00002   2.73660
   R90        2.64441   0.00013   0.00038  -0.00006   0.00032   2.64473
   R91        2.67826   0.00038   0.00022   0.00051   0.00074   2.67899
   R92        2.64442   0.00013   0.00038  -0.00005   0.00033   2.64475
   R93        2.64002   0.00024   0.00069  -0.00002   0.00067   2.64069
   R94        2.67791   0.00038   0.00022   0.00050   0.00072   2.67864
   R95        2.64030   0.00020   0.00074  -0.00015   0.00059   2.64089
   R96        2.73649   0.00017  -0.00087   0.00087   0.00001   2.73650
   R97        2.64416   0.00013   0.00037  -0.00004   0.00033   2.64449
   R98        2.67771   0.00038   0.00022   0.00050   0.00072   2.67842
   R99        2.64427   0.00014   0.00037  -0.00003   0.00034   2.64461
   R100       2.64026   0.00019   0.00073  -0.00016   0.00057   2.64082
   R101       2.62992   0.00006   0.00011  -0.00009   0.00002   2.62994
   R102       2.05262  -0.00001  -0.00017   0.00012  -0.00004   2.05258
   R103       2.65396   0.00038   0.00073   0.00004   0.00077   2.65473
   R104       2.05147  -0.00002  -0.00003  -0.00002  -0.00005   2.05142
   R105       2.63324  -0.00005  -0.00026   0.00004  -0.00022   2.63302
   R106       2.05221   0.00002  -0.00023   0.00026   0.00003   2.05224
   R107       2.04881   0.00006   0.00018  -0.00011   0.00007   2.04887
   R108       2.63304  -0.00005  -0.00026   0.00005  -0.00021   2.63284
   R109       2.04867   0.00006   0.00014  -0.00005   0.00010   2.04876
   R110       2.65414   0.00038   0.00071   0.00005   0.00077   2.65491
   R111       2.05201   0.00002  -0.00022   0.00026   0.00003   2.05205
   R112       2.62964   0.00006   0.00011  -0.00008   0.00002   2.62966
   R113       2.05143  -0.00002  -0.00003  -0.00003  -0.00005   2.05138
   R114       2.05265  -0.00001  -0.00017   0.00013  -0.00005   2.05260
   R115       2.62981   0.00005   0.00011  -0.00011   0.00000   2.62982
   R116       2.05263  -0.00001  -0.00017   0.00012  -0.00005   2.05258
   R117       2.65424   0.00037   0.00073   0.00002   0.00075   2.65498
   R118       2.05144  -0.00002  -0.00003  -0.00003  -0.00005   2.05139
   R119       2.63312  -0.00006  -0.00026   0.00003  -0.00023   2.63289
   R120       2.05214   0.00002  -0.00023   0.00026   0.00003   2.05217
   R121       2.04893   0.00005   0.00017  -0.00014   0.00003   2.04896
   R122       2.63314  -0.00006  -0.00026   0.00004  -0.00022   2.63292
   R123       2.04893   0.00005   0.00016  -0.00011   0.00006   2.04899
   R124       2.65421   0.00037   0.00073   0.00002   0.00075   2.65497
   R125       2.05216   0.00002  -0.00023   0.00026   0.00003   2.05219
   R126       2.62983   0.00006   0.00011  -0.00009   0.00002   2.62985
   R127       2.05143  -0.00002  -0.00002  -0.00003  -0.00005   2.05138
   R128       2.05263  -0.00001  -0.00017   0.00013  -0.00005   2.05258
   R129       2.62965   0.00007   0.00012  -0.00008   0.00004   2.62969
   R130       2.05260  -0.00001  -0.00017   0.00013  -0.00004   2.05256
   R131       2.65391   0.00039   0.00071   0.00006   0.00077   2.65468
   R132       2.05140  -0.00002  -0.00002  -0.00003  -0.00005   2.05135
   R133       2.63318  -0.00005  -0.00025   0.00003  -0.00021   2.63297
   R134       2.05202   0.00002  -0.00022   0.00026   0.00004   2.05206
   R135       2.04861   0.00006   0.00016  -0.00009   0.00007   2.04868
   R136       2.63329  -0.00006  -0.00025   0.00002  -0.00023   2.63306
   R137       2.04867   0.00006   0.00016  -0.00009   0.00007   2.04874
   R138       2.65382   0.00039   0.00071   0.00007   0.00078   2.65460
   R139       2.05212   0.00002  -0.00023   0.00026   0.00003   2.05215
   R140       2.62980   0.00006   0.00012  -0.00009   0.00003   2.62983
   R141       2.05144  -0.00002  -0.00002  -0.00003  -0.00005   2.05138
   R142       2.05259  -0.00001  -0.00017   0.00013  -0.00004   2.05255
   R143       3.43494  -0.00011  -0.01022   0.00212  -0.00815   3.42679
    A1        2.06483  -0.00007  -0.00046  -0.00005  -0.00051   2.06432
    A2        2.10844   0.00004   0.00017   0.00022   0.00039   2.10883
    A3        2.10991   0.00002   0.00029  -0.00017   0.00012   2.11003
    A4        2.13792  -0.00006   0.00033  -0.00036  -0.00002   2.13789
    A5        2.05399   0.00004  -0.00036   0.00053   0.00016   2.05415
    A6        2.09085   0.00001   0.00002  -0.00014  -0.00013   2.09073
    A7        2.05839   0.00009   0.00023   0.00021   0.00044   2.05884
    A8        2.13495  -0.00008  -0.00010   0.00008  -0.00004   2.13491
    A9        2.08965  -0.00001  -0.00014  -0.00023  -0.00036   2.08929
   A10        2.09154  -0.00005  -0.00027  -0.00012  -0.00038   2.09116
   A11        2.09917   0.00007  -0.00021   0.00054   0.00038   2.09955
   A12        2.09243  -0.00003   0.00047  -0.00042   0.00002   2.09245
   A13        2.11073   0.00002   0.00008   0.00004   0.00013   2.11086
   A14        2.06326  -0.00002   0.00187  -0.00161   0.00025   2.06351
   A15        2.10910  -0.00001  -0.00195   0.00158  -0.00038   2.10872
   A16        2.10294   0.00006   0.00006   0.00028   0.00033   2.10327
   A17        2.09015  -0.00004   0.00145  -0.00129   0.00016   2.09031
   A18        2.08967  -0.00002  -0.00154   0.00104  -0.00050   2.08917
   A19        2.10571   0.00005   0.00045  -0.00020   0.00029   2.10600
   A20        2.11788  -0.00019  -0.00141   0.00028  -0.00115   2.11673
   A21        2.05959   0.00014   0.00094  -0.00007   0.00086   2.06045
   A22        2.07881   0.00021   0.00064   0.00046   0.00117   2.07998
   A23        2.08319  -0.00039  -0.00250   0.00040  -0.00213   2.08107
   A24        2.12118   0.00017   0.00187  -0.00086   0.00095   2.12213
   A25        2.10552  -0.00039  -0.00193   0.00029  -0.00169   2.10383
   A26        2.13434   0.00002   0.00351  -0.00251   0.00080   2.13514
   A27        2.04331   0.00037  -0.00151   0.00223   0.00087   2.04419
   A28        2.08545   0.00007   0.00118  -0.00050   0.00076   2.08621
   A29        2.06649  -0.00001  -0.00269   0.00185  -0.00090   2.06560
   A30        2.13120  -0.00006   0.00154  -0.00136   0.00015   2.13135
   A31        2.14233   0.00001   0.00095  -0.00049   0.00045   2.14279
   A32        2.08524   0.00003   0.00052  -0.00043   0.00008   2.08532
   A33        2.05529  -0.00004  -0.00144   0.00085  -0.00059   2.05470
   A34        2.06078  -0.00008  -0.00100   0.00026  -0.00074   2.06004
   A35        2.11031   0.00001   0.00012   0.00005   0.00017   2.11048
   A36        2.11209   0.00007   0.00088  -0.00031   0.00057   2.11266
   A37        2.11119  -0.00003   0.00013  -0.00019  -0.00006   2.11113
   A38        2.09631  -0.00001   0.00121  -0.00083   0.00037   2.09669
   A39        2.07536   0.00004  -0.00140   0.00105  -0.00036   2.07501
   A40        2.10895   0.00035   0.00165   0.00014   0.00179   2.11074
   A41        2.10631  -0.00006   0.00048  -0.00063  -0.00017   2.10613
   A42        2.06785  -0.00029  -0.00203   0.00050  -0.00155   2.06629
   A43        2.13675  -0.00053  -0.00069  -0.00102  -0.00227   2.13448
   A44        2.16050   0.00046   0.00110   0.00095   0.00174   2.16224
   A45        2.26734   0.00022   0.00059   0.00048   0.00042   2.26776
   A46        1.98362   0.00008   0.00075   0.00029   0.00073   1.98436
   A47        1.87550   0.00031   0.00159   0.00086   0.00164   1.87714
   A48        2.05899   0.00051   0.00186   0.00033   0.00240   2.06138
   A49        2.12371  -0.00008  -0.00085   0.00019  -0.00082   2.12289
   A50        2.10049  -0.00043  -0.00100  -0.00051  -0.00157   2.09891
   A51        2.10983  -0.00004  -0.00058   0.00018  -0.00038   2.10946
   A52        2.08081   0.00007   0.00093  -0.00052   0.00043   2.08124
   A53        2.09234  -0.00002  -0.00033   0.00035  -0.00001   2.09233
   A54        2.08540  -0.00024  -0.00019  -0.00032  -0.00059   2.08481
   A55        2.06903   0.00028   0.00021   0.00099   0.00121   2.07024
   A56        2.07284   0.00006   0.00002   0.00074   0.00070   2.07354
   A57        2.14132  -0.00034  -0.00011  -0.00175  -0.00192   2.13939
   A58        2.13924   0.00002   0.00053  -0.00054  -0.00000   2.13924
   A59        2.07354  -0.00011  -0.00277   0.00152  -0.00126   2.07229
   A60        2.07011   0.00009   0.00221  -0.00097   0.00123   2.07134
   A61        2.06877  -0.00009  -0.00084   0.00009  -0.00077   2.06801
   A62        2.09822  -0.00000   0.00111  -0.00096   0.00016   2.09838
   A63        2.11619   0.00009  -0.00027   0.00087   0.00061   2.11680
   A64        2.10800   0.00015   0.00019   0.00050   0.00069   2.10869
   A65        2.04998  -0.00015  -0.00059  -0.00051  -0.00109   2.04889
   A66        2.12481   0.00000   0.00041  -0.00002   0.00039   2.12520
   A67        2.11036   0.00011   0.00019   0.00048   0.00067   2.11102
   A68        2.11473   0.00008   0.00011   0.00046   0.00057   2.11530
   A69        2.05809  -0.00020  -0.00030  -0.00094  -0.00124   2.05686
   A70        2.10774   0.00014   0.00057   0.00026   0.00083   2.10856
   A71        2.11718   0.00004  -0.00005   0.00039   0.00034   2.11752
   A72        2.05827  -0.00018  -0.00052  -0.00065  -0.00117   2.05710
   A73        2.11184   0.00017   0.00116  -0.00014   0.00102   2.11286
   A74        2.11116   0.00009   0.00033   0.00030   0.00063   2.11179
   A75        2.06018  -0.00026  -0.00149  -0.00016  -0.00165   2.05853
   A76        2.11497   0.00013   0.00028   0.00056   0.00084   2.11581
   A77        2.08824  -0.00004   0.00093  -0.00087   0.00005   2.08829
   A78        2.07909  -0.00009  -0.00125   0.00032  -0.00093   2.07817
   A79        2.09878  -0.00005   0.00079  -0.00070   0.00009   2.09887
   A80        2.09937  -0.00004  -0.00195   0.00106  -0.00090   2.09847
   A81        2.08484   0.00009   0.00118  -0.00038   0.00080   2.08564
   A82        2.08026   0.00002  -0.00159   0.00095  -0.00063   2.07963
   A83        2.10187  -0.00001   0.00081  -0.00049   0.00032   2.10219
   A84        2.10106  -0.00001   0.00078  -0.00047   0.00031   2.10137
   A85        2.09797  -0.00003   0.00092  -0.00072   0.00020   2.09817
   A86        2.08423   0.00009   0.00116  -0.00034   0.00080   2.08503
   A87        2.10071  -0.00006  -0.00204   0.00104  -0.00102   2.09969
   A88        2.11587   0.00010   0.00014   0.00055   0.00069   2.11656
   A89        2.08825  -0.00002   0.00090  -0.00078   0.00012   2.08837
   A90        2.07799  -0.00008  -0.00111   0.00024  -0.00088   2.07711
   A91        2.11552   0.00013   0.00012   0.00073   0.00085   2.11637
   A92        2.08762  -0.00004   0.00089  -0.00083   0.00006   2.08768
   A93        2.07918  -0.00010  -0.00105   0.00010  -0.00096   2.07822
   A94        2.09822  -0.00004   0.00076  -0.00064   0.00012   2.09833
   A95        2.10086  -0.00006  -0.00191   0.00090  -0.00102   2.09984
   A96        2.08392   0.00010   0.00118  -0.00028   0.00088   2.08481
   A97        2.08060   0.00000  -0.00144   0.00075  -0.00069   2.07991
   A98        2.10120   0.00004   0.00075  -0.00021   0.00054   2.10174
   A99        2.10138  -0.00004   0.00070  -0.00055   0.00015   2.10153
   A100       2.09802  -0.00003   0.00079  -0.00060   0.00019   2.09820
   A101       2.08399   0.00009   0.00117  -0.00037   0.00078   2.08477
   A102       2.10094  -0.00006  -0.00192   0.00094  -0.00099   2.09995
   A103       2.11570   0.00013   0.00010   0.00070   0.00080   2.11650
   A104       2.08723  -0.00004   0.00083  -0.00078   0.00005   2.08728
   A105       2.07929  -0.00009  -0.00098   0.00008  -0.00091   2.07838
   A106       2.11403   0.00017   0.00074   0.00034   0.00109   2.11511
   A107       2.08924   0.00009   0.00178  -0.00065   0.00113   2.09038
   A108       2.07909  -0.00026  -0.00253   0.00024  -0.00229   2.07680
   A109       2.09856  -0.00001   0.00095  -0.00066   0.00029   2.09884
   A110       2.09990  -0.00012  -0.00208   0.00069  -0.00140   2.09849
   A111       2.08455   0.00013   0.00116  -0.00007   0.00108   2.08563
   A112       2.08051  -0.00006  -0.00192   0.00087  -0.00104   2.07948
   A113       2.10150   0.00002   0.00086  -0.00040   0.00046   2.10196
   A114       2.10117   0.00004   0.00105  -0.00048   0.00057   2.10174
   A115       2.09809   0.00001   0.00094  -0.00057   0.00037   2.09846
   A116       2.08419   0.00012   0.00124  -0.00015   0.00107   2.08526
   A117       2.10065  -0.00013  -0.00214   0.00066  -0.00149   2.09915
   A118       2.11474   0.00015   0.00077   0.00021   0.00098   2.11572
   A119       2.08536   0.00010   0.00163  -0.00046   0.00117   2.08653
   A120       2.08230  -0.00025  -0.00241   0.00017  -0.00224   2.08006
   A121       2.19621  -0.00012  -0.00031  -0.00005  -0.00036   2.19585
   A122       2.19632  -0.00005  -0.00039   0.00029  -0.00010   2.19622
   A123       1.89065   0.00017   0.00070  -0.00024   0.00046   1.89111
   A124       2.19670  -0.00011  -0.00029  -0.00003  -0.00031   2.19639
   A125       2.19625  -0.00008  -0.00040   0.00019  -0.00020   2.19604
   A126       1.89023   0.00019   0.00069  -0.00017   0.00052   1.89075
   A127       2.19631  -0.00008  -0.00031   0.00016  -0.00015   2.19616
   A128       2.19687  -0.00013  -0.00035  -0.00004  -0.00038   2.19648
   A129       1.89001   0.00020   0.00066  -0.00012   0.00053   1.89054
   A130       1.90096  -0.00006  -0.00024  -0.00004  -0.00027   1.90069
   A131       2.25967   0.00007   0.00127  -0.00060   0.00067   2.26034
   A132       2.12203  -0.00001  -0.00103   0.00060  -0.00042   2.12160
   A133       1.86627  -0.00004  -0.00012   0.00013   0.00001   1.86628
   A134       2.08628   0.00002   0.00080  -0.00040   0.00040   2.08668
   A135       2.33061   0.00002  -0.00069   0.00026  -0.00043   2.33018
   A136       1.86613  -0.00004  -0.00012   0.00014   0.00002   1.86614
   A137       2.33085   0.00002  -0.00067   0.00023  -0.00044   2.33040
   A138       2.08618   0.00002   0.00079  -0.00038   0.00040   2.08659
   A139       1.90118  -0.00006  -0.00021  -0.00006  -0.00027   1.90091
   A140       2.25990   0.00007   0.00122  -0.00054   0.00069   2.26058
   A141       2.12155  -0.00001  -0.00101   0.00057  -0.00043   2.12112
   A142       1.90113  -0.00005  -0.00022  -0.00000  -0.00022   1.90091
   A143       2.25928   0.00007   0.00121  -0.00051   0.00070   2.25998
   A144       2.12231  -0.00003  -0.00097   0.00046  -0.00050   2.12181
   A145       1.86592  -0.00003  -0.00012   0.00013   0.00001   1.86593
   A146       2.08579   0.00002   0.00077  -0.00034   0.00042   2.08621
   A147       2.33145   0.00001  -0.00065   0.00021  -0.00045   2.33100
   A148       1.86594  -0.00003  -0.00013   0.00017   0.00003   1.86597
   A149       2.33144  -0.00000  -0.00063   0.00014  -0.00051   2.33093
   A150       2.08578   0.00003   0.00077  -0.00031   0.00045   2.08623
   A151       1.90113  -0.00007  -0.00022  -0.00006  -0.00027   1.90085
   A152       2.25914   0.00011   0.00119  -0.00040   0.00081   2.25995
   A153       2.12246  -0.00004  -0.00097   0.00040  -0.00056   2.12190
   A154       1.90095  -0.00006  -0.00023  -0.00006  -0.00029   1.90066
   A155       2.26038   0.00006   0.00131  -0.00065   0.00067   2.26105
   A156       2.12126  -0.00000  -0.00108   0.00067  -0.00041   2.12085
   A157       1.86646  -0.00004  -0.00010   0.00012   0.00002   1.86648
   A158       2.08659   0.00001   0.00084  -0.00044   0.00039   2.08698
   A159       2.33010   0.00002  -0.00074   0.00031  -0.00044   2.32966
   A160       1.86652  -0.00004  -0.00011   0.00011  -0.00000   1.86652
   A161       2.32998   0.00003  -0.00074   0.00034  -0.00041   2.32957
   A162       2.08666   0.00001   0.00085  -0.00045   0.00038   2.08705
   A163       1.90084  -0.00006  -0.00023  -0.00005  -0.00027   1.90057
   A164       2.26037   0.00006   0.00130  -0.00068   0.00063   2.26100
   A165       2.12141   0.00000  -0.00108   0.00067  -0.00040   2.12101
   A166       2.07991  -0.00002  -0.00025   0.00016  -0.00008   2.07983
   A167       2.10070  -0.00005   0.00077  -0.00098  -0.00021   2.10048
   A168       2.10255   0.00007  -0.00052   0.00082   0.00030   2.10286
   A169       2.10436  -0.00003  -0.00006  -0.00022  -0.00028   2.10408
   A170       2.09140   0.00003  -0.00043   0.00059   0.00016   2.09156
   A171       2.08741  -0.00000   0.00049  -0.00037   0.00012   2.08753
   A172       2.11891   0.00011  -0.00012   0.00059   0.00047   2.11938
   A173       2.08512   0.00001  -0.00013   0.00024   0.00011   2.08523
   A174       2.07915  -0.00011   0.00025  -0.00083  -0.00058   2.07857
   A175       2.05523  -0.00006   0.00069  -0.00074  -0.00005   2.05518
   A176       2.11737   0.00007   0.00076  -0.00017   0.00059   2.11796
   A177       2.11055  -0.00001  -0.00143   0.00089  -0.00054   2.11001
   A178       2.05463  -0.00006   0.00070  -0.00075  -0.00005   2.05458
   A179       2.11853   0.00008   0.00081  -0.00013   0.00067   2.11920
   A180       2.11000  -0.00002  -0.00149   0.00087  -0.00062   2.10939
   A181       2.11918   0.00011  -0.00012   0.00058   0.00046   2.11965
   A182       2.07862  -0.00011   0.00025  -0.00082  -0.00058   2.07804
   A183       2.08538   0.00001  -0.00013   0.00024   0.00011   2.08550
   A184       2.10455  -0.00003  -0.00005  -0.00022  -0.00027   2.10428
   A185       2.08722  -0.00000   0.00047  -0.00037   0.00010   2.08732
   A186       2.09142   0.00003  -0.00042   0.00058   0.00017   2.09158
   A187       2.07948  -0.00002  -0.00026   0.00017  -0.00009   2.07939
   A188       2.10092  -0.00005   0.00078  -0.00100  -0.00022   2.10070
   A189       2.10276   0.00007  -0.00052   0.00083   0.00031   2.10308
   A190       2.07967  -0.00002  -0.00027   0.00021  -0.00006   2.07961
   A191       2.10091  -0.00005   0.00078  -0.00100  -0.00021   2.10069
   A192       2.10259   0.00007  -0.00052   0.00079   0.00028   2.10287
   A193       2.10467  -0.00003  -0.00002  -0.00028  -0.00030   2.10437
   A194       2.09130   0.00003  -0.00044   0.00061   0.00017   2.09147
   A195       2.08722  -0.00000   0.00046  -0.00034   0.00012   2.08734
   A196       2.11902   0.00011  -0.00014   0.00059   0.00045   2.11947
   A197       2.08508   0.00001  -0.00013   0.00024   0.00010   2.08519
   A198       2.07908  -0.00011   0.00027  -0.00082  -0.00056   2.07852
   A199       2.05458  -0.00005   0.00068  -0.00063   0.00004   2.05462
   A200       2.11744   0.00008   0.00073  -0.00010   0.00062   2.11807
   A201       2.11114  -0.00003  -0.00138   0.00072  -0.00067   2.11048
   A202       2.05477  -0.00005   0.00068  -0.00066   0.00002   2.05478
   A203       2.11718   0.00007   0.00074  -0.00014   0.00059   2.11777
   A204       2.11122  -0.00002  -0.00140   0.00080  -0.00061   2.11061
   A205       2.11892   0.00010  -0.00013   0.00058   0.00044   2.11936
   A206       2.07927  -0.00011   0.00026  -0.00081  -0.00055   2.07872
   A207       2.08499   0.00001  -0.00013   0.00023   0.00011   2.08510
   A208       2.10465  -0.00003  -0.00003  -0.00026  -0.00030   2.10435
   A209       2.08718  -0.00000   0.00046  -0.00034   0.00012   2.08731
   A210       2.09135   0.00003  -0.00043   0.00060   0.00017   2.09151
   A211       2.07975  -0.00002  -0.00026   0.00020  -0.00006   2.07969
   A212       2.10089  -0.00005   0.00078  -0.00100  -0.00022   2.10067
   A213       2.10252   0.00007  -0.00052   0.00081   0.00029   2.10281
   A214       2.07957  -0.00003  -0.00026   0.00017  -0.00009   2.07948
   A215       2.10083  -0.00005   0.00076  -0.00099  -0.00023   2.10060
   A216       2.10276   0.00007  -0.00050   0.00083   0.00033   2.10309
   A217       2.10432  -0.00003  -0.00007  -0.00020  -0.00028   2.10405
   A218       2.09152   0.00003  -0.00041   0.00057   0.00016   2.09168
   A219       2.08734  -0.00000   0.00048  -0.00037   0.00011   2.08745
   A220       2.11916   0.00011  -0.00010   0.00057   0.00047   2.11963
   A221       2.08537   0.00001  -0.00012   0.00025   0.00013   2.08550
   A222       2.07865  -0.00012   0.00022  -0.00082  -0.00060   2.07805
   A223       2.05500  -0.00007   0.00072  -0.00077  -0.00006   2.05495
   A224       2.11880   0.00007   0.00083  -0.00018   0.00064   2.11944
   A225       2.10935  -0.00001  -0.00152   0.00094  -0.00058   2.10877
   A226       2.05521  -0.00007   0.00073  -0.00080  -0.00007   2.05514
   A227       2.11823   0.00008   0.00080  -0.00013   0.00067   2.11889
   A228       2.10972  -0.00001  -0.00151   0.00092  -0.00060   2.10913
   A229       2.11906   0.00011  -0.00012   0.00061   0.00048   2.11955
   A230       2.07885  -0.00012   0.00024  -0.00086  -0.00062   2.07823
   A231       2.08526   0.00001  -0.00012   0.00025   0.00014   2.08540
   A232       2.10425  -0.00003  -0.00007  -0.00021  -0.00028   2.10397
   A233       2.08747  -0.00000   0.00048  -0.00036   0.00011   2.08758
   A234       2.09146   0.00003  -0.00041   0.00057   0.00016   2.09162
   A235       2.07976  -0.00003  -0.00025   0.00016  -0.00009   2.07967
   A236       2.10074  -0.00005   0.00075  -0.00100  -0.00025   2.10049
   A237       2.10266   0.00008  -0.00050   0.00085   0.00035   2.10301
    D1       -0.00493  -0.00001  -0.00058  -0.00022  -0.00081  -0.00574
    D2        3.10523   0.00001  -0.00149   0.00125  -0.00027   3.10496
    D3        3.13956  -0.00002  -0.00045  -0.00070  -0.00115   3.13841
    D4       -0.03348  -0.00000  -0.00135   0.00077  -0.00061  -0.03408
    D5        0.00476  -0.00000   0.00069  -0.00029   0.00041   0.00516
    D6        3.11464   0.00001  -0.00058   0.00070   0.00012   3.11476
    D7       -3.13973   0.00001   0.00055   0.00019   0.00074  -3.13899
    D8       -0.02984   0.00002  -0.00072   0.00118   0.00046  -0.02939
    D9        2.49387  -0.00001   0.00340   0.00050   0.00390   2.49776
   D10       -0.64827  -0.00001   0.00354   0.00016   0.00370  -0.64457
   D11       -0.64476  -0.00001   0.00354   0.00001   0.00355  -0.64121
   D12        2.49629  -0.00002   0.00368  -0.00033   0.00336   2.49965
   D13       -0.00004   0.00002  -0.00047   0.00098   0.00051   0.00047
   D14        3.12003   0.00009  -0.00041   0.00362   0.00316   3.12318
   D15       -3.10955   0.00000   0.00047  -0.00053  -0.00005  -3.10960
   D16        0.01052   0.00007   0.00053   0.00212   0.00260   0.01312
   D17        0.00522  -0.00002   0.00143  -0.00124   0.00020   0.00543
   D18       -3.12586  -0.00007  -0.00046  -0.00157  -0.00202  -3.12789
   D19       -3.11542  -0.00008   0.00137  -0.00382  -0.00238  -3.11780
   D20        0.03668  -0.00013  -0.00051  -0.00414  -0.00461   0.03207
   D21        3.13995  -0.00010  -0.00252  -0.00295  -0.00546   3.13449
   D22       -0.00687  -0.00002  -0.00173  -0.00018  -0.00191  -0.00878
   D23       -0.02354  -0.00003  -0.00246  -0.00025  -0.00275  -0.02630
   D24        3.11282   0.00005  -0.00167   0.00252   0.00079   3.11362
   D25       -0.00545   0.00000  -0.00136   0.00078  -0.00059  -0.00604
   D26       -3.13232  -0.00001  -0.00104   0.00008  -0.00097  -3.13328
   D27        3.12568   0.00005   0.00052   0.00111   0.00163   3.12730
   D28       -0.00119   0.00004   0.00083   0.00041   0.00125   0.00007
   D29        0.00144   0.00008   0.00006   0.00304   0.00316   0.00460
   D30        3.13380   0.00010   0.00275   0.00228   0.00516   3.13896
   D31       -3.12964   0.00003  -0.00183   0.00272   0.00094  -3.12870
   D32        0.00272   0.00005   0.00087   0.00195   0.00294   0.00565
   D33        0.00034   0.00001   0.00027   0.00000   0.00028   0.00063
   D34       -3.10955  -0.00000   0.00150  -0.00094   0.00056  -3.10899
   D35        3.12682   0.00002  -0.00003   0.00070   0.00067   3.12749
   D36        0.01693   0.00001   0.00120  -0.00025   0.00095   0.01788
   D37       -0.02789   0.00023   0.00573   0.00567   0.01133  -0.01656
   D38        3.10931   0.00024   0.00580   0.00554   0.01130   3.12061
   D39        3.11876   0.00015   0.00494   0.00300   0.00790   3.12666
   D40       -0.02723   0.00016   0.00501   0.00286   0.00787  -0.01935
   D41       -3.12386  -0.00010   0.00109  -0.00553  -0.00440  -3.12826
   D42        0.04572  -0.00006   0.00057  -0.00280  -0.00220   0.04352
   D43        0.01264  -0.00001   0.00186  -0.00283  -0.00094   0.01169
   D44       -3.10096   0.00002   0.00135  -0.00010   0.00125  -3.09971
   D45        0.06655  -0.00030  -0.00614  -0.00676  -0.01286   0.05370
   D46       -3.08083  -0.00028  -0.01110  -0.00384  -0.01498  -3.09581
   D47       -3.07055  -0.00031  -0.00622  -0.00662  -0.01282  -3.08337
   D48        0.06525  -0.00029  -0.01117  -0.00370  -0.01495   0.05031
   D49        0.02321  -0.00020  -0.00838  -0.00071  -0.00909   0.01412
   D50       -3.13253   0.00004  -0.00282   0.00078  -0.00207  -3.13461
   D51       -3.12288  -0.00018  -0.00831  -0.00085  -0.00912  -3.13200
   D52        0.00455   0.00005  -0.00275   0.00064  -0.00210   0.00245
   D53       -0.05377   0.00014   0.00324   0.00247   0.00567  -0.04810
   D54        3.09741   0.00012   0.00046   0.00325   0.00360   3.10101
   D55        3.09332   0.00013   0.00802  -0.00029   0.00769   3.10101
   D56       -0.03868   0.00011   0.00524   0.00049   0.00562  -0.03307
   D57       -3.10526  -0.00007  -0.00203  -0.00155  -0.00347  -3.10873
   D58        0.11397  -0.00033  -0.00141  -0.00541  -0.00687   0.10710
   D59        0.13932  -0.00010   0.00626  -0.00626  -0.00056   0.13877
   D60        0.03073  -0.00006  -0.00685   0.00127  -0.00554   0.02520
   D61       -3.03322  -0.00032  -0.00623  -0.00259  -0.00894  -3.04216
   D62       -3.00787  -0.00008   0.00144  -0.00344  -0.00262  -3.01049
   D63       -3.12080  -0.00010  -0.00429  -0.00010  -0.00445  -3.12525
   D64        0.01130  -0.00008  -0.00154  -0.00088  -0.00239   0.00891
   D65        0.00662  -0.00010  -0.00542   0.00056  -0.00485   0.00177
   D66       -3.13596  -0.00006  -0.00445   0.00127  -0.00320  -3.13915
   D67        3.12067  -0.00013  -0.00487  -0.00215  -0.00701   3.11367
   D68       -0.02190  -0.00010  -0.00391  -0.00144  -0.00535  -0.02725
   D69       -0.01139   0.00007   0.00205   0.00172   0.00375  -0.00764
   D70        3.10291   0.00003  -0.00083   0.00267   0.00181   3.10472
   D71        3.13119   0.00003   0.00108   0.00101   0.00209   3.13328
   D72       -0.03770   0.00000  -0.00180   0.00196   0.00015  -0.03755
   D73        2.52114  -0.00005   0.00264  -0.00090   0.00174   2.52289
   D74       -0.61990  -0.00007   0.00259  -0.00164   0.00096  -0.61894
   D75       -0.62146  -0.00001   0.00363  -0.00018   0.00345  -0.61801
   D76        2.52068  -0.00003   0.00359  -0.00091   0.00266   2.52335
   D77       -0.00353   0.00008   0.00482  -0.00163   0.00317  -0.00036
   D78       -3.13128  -0.00016  -0.00061  -0.00308  -0.00370  -3.13497
   D79       -3.11815   0.00011   0.00765  -0.00254   0.00508  -3.11307
   D80        0.03729  -0.00012   0.00222  -0.00400  -0.00179   0.03550
   D81        0.00205  -0.00002   0.00473  -0.00247   0.00240   0.00445
   D82        3.14051  -0.00005   0.00561  -0.00339   0.00242  -3.14026
   D83        3.07321   0.00024   0.00457   0.00107   0.00554   3.07875
   D84       -0.07152   0.00020   0.00545   0.00015   0.00556  -0.06596
   D85        3.06088   0.00001  -0.00055   0.00132   0.00004   3.06092
   D86       -0.08385  -0.00002   0.00033   0.00040   0.00006  -0.08379
   D87       -0.03105   0.00005  -0.00085   0.00209   0.00111  -0.02994
   D88        3.13226  -0.00000  -0.00288   0.00174  -0.00114   3.13112
   D89        3.11363   0.00008  -0.00172   0.00300   0.00109   3.11473
   D90       -0.00624   0.00003  -0.00375   0.00265  -0.00116  -0.00740
   D91       -3.13010  -0.00000   0.00039  -0.00038   0.00003  -3.13007
   D92        0.00867  -0.00009   0.00132  -0.00366  -0.00236   0.00631
   D93        0.00828  -0.00003   0.00131  -0.00132   0.00006   0.00834
   D94       -3.13613  -0.00012   0.00224  -0.00460  -0.00233  -3.13847
   D95        0.02377  -0.00002  -0.00058  -0.00047  -0.00105   0.02272
   D96       -3.13968   0.00004   0.00146  -0.00013   0.00123  -3.13846
   D97        0.00008  -0.00002   0.00193  -0.00165   0.00032   0.00040
   D98        3.11224  -0.00002   0.00255  -0.00260  -0.00005   3.11219
   D99       -3.12002  -0.00007  -0.00006  -0.00199  -0.00190  -3.12192
   D100      -0.00786  -0.00007   0.00056  -0.00294  -0.00227  -0.01013
   D101      -0.00438   0.00003   0.00296  -0.00101   0.00191  -0.00246
   D102       3.11088  -0.00000   0.00154  -0.00078   0.00071   3.11159
   D103       3.14015   0.00013   0.00200   0.00239   0.00440  -3.13864
   D104      -0.02777   0.00009   0.00058   0.00262   0.00319  -0.02458
   D105      -0.00165  -0.00003  -0.00472   0.00199  -0.00274  -0.00440
   D106       3.14151  -0.00006  -0.00493   0.00116  -0.00376   3.13776
   D107      -3.11696   0.00001  -0.00319   0.00173  -0.00150  -3.11847
   D108       0.02620  -0.00002  -0.00340   0.00090  -0.00251   0.02369
   D109       0.00379   0.00002   0.00212  -0.00060   0.00155   0.00534
   D110      -3.10708   0.00002   0.00150   0.00040   0.00196  -3.10512
   D111      -3.13939   0.00005   0.00233   0.00024   0.00257  -3.13682
   D112       0.03292   0.00006   0.00171   0.00124   0.00298   0.03590
   D113       0.65632  -0.00026  -0.01150  -0.00413  -0.01565   0.64067
   D114      -2.48911  -0.00025  -0.01109  -0.00373  -0.01484  -2.50395
   D115      -2.48365  -0.00029  -0.01173  -0.00498  -0.01669  -2.50035
   D116       0.65410  -0.00028  -0.01132  -0.00458  -0.01588   0.63822
   D117      -3.12946  -0.00002  -0.00062  -0.00035  -0.00097  -3.13043
   D118      -0.03294  -0.00004  -0.00198  -0.00026  -0.00225  -0.03519
   D119       0.01266  -0.00002  -0.00076  -0.00001  -0.00078   0.01188
   D120       3.10917  -0.00003  -0.00212   0.00007  -0.00206   3.10711
   D121      -3.13551  -0.00001  -0.00060   0.00011  -0.00049  -3.13601
   D122      -0.04158  -0.00003  -0.00205   0.00022  -0.00183  -0.04341
   D123       0.00555  -0.00002  -0.00046  -0.00022  -0.00068   0.00487
   D124       3.09949  -0.00003  -0.00191  -0.00011  -0.00202   3.09747
   D125      -3.12741  -0.00003  -0.00075  -0.00072  -0.00146  -3.12887
   D126      -0.03138  -0.00004  -0.00201  -0.00030  -0.00232  -0.03370
   D127       0.01365  -0.00002  -0.00070   0.00000  -0.00070   0.01295
   D128       3.10968  -0.00002  -0.00196   0.00041  -0.00155   3.10812
   D129      -3.13622   0.00001  -0.00030   0.00060   0.00031  -3.13591
   D130      -0.04496  -0.00001  -0.00223   0.00084  -0.00139  -0.04635
   D131       0.00591  -0.00001  -0.00034  -0.00012  -0.00046   0.00545
   D132       3.09717  -0.00003  -0.00227   0.00012  -0.00216   3.09502
   D133       3.12364   0.00004   0.00063   0.00099   0.00163   3.12527
   D134       0.02610   0.00009   0.00092   0.00269   0.00361   0.02971
   D135      -0.01422   0.00002   0.00023   0.00060   0.00084  -0.01338
   D136      -3.11176   0.00007   0.00052   0.00230   0.00282  -3.10894
   D137       3.13969   0.00000  -0.00038   0.00029  -0.00009   3.13960
   D138       0.04101   0.00006  -0.00000   0.00235   0.00233   0.04334
   D139      -0.00563   0.00002   0.00002   0.00068   0.00070  -0.00493
   D140      -3.10431   0.00008   0.00040   0.00274   0.00312  -3.10119
   D141      -0.02092   0.00003   0.00118   0.00004   0.00123  -0.01969
   D142       3.09925   0.00002   0.00161  -0.00092   0.00070   3.09995
   D143      -3.11718   0.00003   0.00239  -0.00034   0.00205  -3.11513
   D144       0.00299   0.00002   0.00283  -0.00130   0.00152   0.00451
   D145       0.00840  -0.00001  -0.00062   0.00004  -0.00058   0.00782
   D146      -3.13151  -0.00001  -0.00068   0.00036  -0.00031  -3.13182
   D147      -3.11195  -0.00001  -0.00102   0.00097  -0.00004  -3.11199
   D148       0.03133   0.00000  -0.00108   0.00130   0.00023   0.03156
   D149       0.01090  -0.00001  -0.00040  -0.00017  -0.00057   0.01033
   D150      -3.10574   0.00000  -0.00092   0.00116   0.00024  -3.10551
   D151      -3.13238  -0.00002  -0.00035  -0.00050  -0.00084  -3.13322
   D152       0.03416  -0.00001  -0.00087   0.00083  -0.00004   0.03413
   D153       0.92972  -0.00016  -0.00815  -0.00251  -0.01066   0.91906
   D154      -2.21520  -0.00014  -0.00775  -0.00206  -0.00981  -2.22502
   D155      -2.21016  -0.00015  -0.00820  -0.00218  -0.01038  -2.22055
   D156       0.92810  -0.00013  -0.00780  -0.00174  -0.00954   0.91856
   D157      -0.01820   0.00003   0.00089   0.00021   0.00110  -0.01710
   D158      -3.10974   0.00005   0.00276   0.00000   0.00276  -3.10699
   D159       3.09821   0.00001   0.00145  -0.00115   0.00031   3.09852
   D160       0.00666   0.00003   0.00332  -0.00135   0.00197   0.00863
   D161      -0.01951   0.00003   0.00124   0.00018   0.00142  -0.01809
   D162       3.10120   0.00001   0.00186  -0.00140   0.00046   3.10166
   D163      -3.11624   0.00005   0.00256   0.00012   0.00267  -3.11358
   D164       0.00447   0.00003   0.00318  -0.00146   0.00171   0.00618
   D165       0.00795  -0.00002  -0.00049  -0.00011  -0.00060   0.00735
   D166      -3.13252  -0.00001  -0.00036  -0.00016  -0.00053  -3.13305
   D167      -3.11296   0.00001  -0.00108   0.00145   0.00037  -3.11259
   D168       0.02976   0.00001  -0.00095   0.00139   0.00044   0.03020
   D169       0.01001  -0.00002  -0.00071  -0.00014  -0.00085   0.00916
   D170      -3.10827  -0.00000  -0.00117   0.00127   0.00010  -3.10816
   D171      -3.13271  -0.00002  -0.00084  -0.00009  -0.00093  -3.13363
   D172       0.03220  -0.00000  -0.00130   0.00132   0.00003   0.03223
   D173      -2.18897  -0.00023  -0.01051  -0.00372  -0.01423  -2.20320
   D174       0.95216  -0.00023  -0.01060  -0.00366  -0.01426   0.93789
   D175       0.95376  -0.00023  -0.01038  -0.00378  -0.01416   0.93960
   D176      -2.18830  -0.00023  -0.01047  -0.00372  -0.01419  -2.20249
   D177      -0.01689   0.00003   0.00120   0.00031   0.00150  -0.01539
   D178      -3.11104   0.00005   0.00260   0.00022   0.00281  -3.10823
   D179       3.10115   0.00002   0.00169  -0.00113   0.00056   3.10171
   D180       0.00700   0.00003   0.00309  -0.00122   0.00187   0.00887
   D181       0.02198  -0.00004  -0.00022  -0.00123  -0.00145   0.02053
   D182      -3.09887  -0.00000  -0.00041   0.00095   0.00054  -3.09833
   D183       3.11977  -0.00008  -0.00038  -0.00294  -0.00333   3.11645
   D184      -0.00108  -0.00004  -0.00057  -0.00076  -0.00134  -0.00242
   D185      -0.00966   0.00002  -0.00002   0.00055   0.00053  -0.00913
   D186       3.12972   0.00001   0.00007   0.00013   0.00020   3.12991
   D187       3.11137  -0.00003   0.00014  -0.00160  -0.00147   3.10990
   D188      -0.03244  -0.00003   0.00023  -0.00203  -0.00181  -0.03424
   D189      -0.00994   0.00003   0.00027   0.00073   0.00100  -0.00894
   D190       3.10747  -0.00003   0.00034  -0.00204  -0.00171   3.10576
   D191       3.13387   0.00004   0.00017   0.00116   0.00133   3.13521
   D192      -0.03191  -0.00003   0.00025  -0.00162  -0.00138  -0.03328
   D193       2.23054   0.00003   0.00641  -0.00112   0.00529   2.23583
   D194      -0.91490   0.00004   0.00667  -0.00085   0.00582  -0.90908
   D195      -0.91330   0.00002   0.00650  -0.00155   0.00496  -0.90835
   D196       2.22445   0.00003   0.00676  -0.00128   0.00548   2.22993
   D197       0.01770  -0.00004  -0.00026  -0.00136  -0.00162   0.01608
   D198       3.11646  -0.00010  -0.00052  -0.00343  -0.00395   3.11251
   D199      -3.09947   0.00001  -0.00037   0.00145   0.00107  -3.09840
   D200      -0.00072  -0.00004  -0.00063  -0.00062  -0.00126  -0.00197
   D201       3.14014   0.00000   0.00009  -0.00013  -0.00003   3.14011
   D202       0.03122   0.00000  -0.00089   0.00175   0.00087   0.03209
   D203      -0.00105   0.00000   0.00017  -0.00018  -0.00001  -0.00105
   D204      -3.10998   0.00000  -0.00081   0.00170   0.00090  -3.10908
   D205       3.14111  -0.00000   0.00018  -0.00023  -0.00004   3.14107
   D206       0.03191   0.00000  -0.00076   0.00178   0.00102   0.03293
   D207      -0.00088  -0.00000   0.00011  -0.00017  -0.00007  -0.00095
   D208      -3.11009   0.00000  -0.00084   0.00183   0.00100  -3.10909
   D209       3.13796   0.00001   0.00055   0.00009   0.00064   3.13860
   D210       0.03123   0.00001  -0.00025   0.00170   0.00145   0.03268
   D211      -0.00078  -0.00000   0.00021  -0.00029  -0.00008  -0.00087
   D212      -3.10752  -0.00000  -0.00059   0.00132   0.00073  -3.10679
   D213      -3.14006  -0.00001  -0.00024  -0.00035  -0.00059  -3.14065
   D214       0.03771  -0.00002  -0.00103   0.00095  -0.00007   0.03764
   D215      -0.00131   0.00000   0.00009   0.00003   0.00013  -0.00119
   D216      -3.10673  -0.00001  -0.00069   0.00133   0.00065  -3.10608
   D217       3.13975   0.00001   0.00012   0.00031   0.00043   3.14018
   D218      -0.03921   0.00001   0.00065  -0.00117  -0.00053  -0.03974
   D219       0.00143  -0.00000  -0.00010   0.00009  -0.00001   0.00142
   D220       3.10566   0.00000   0.00043  -0.00140  -0.00098   3.10469
   D221      -3.13769  -0.00001  -0.00045   0.00005  -0.00040  -3.13810
   D222      -0.03280  -0.00001   0.00032  -0.00178  -0.00148  -0.03428
   D223       0.00062   0.00000  -0.00023   0.00027   0.00004   0.00066
   D224       3.10551  -0.00000   0.00054  -0.00156  -0.00103   3.10448
   D225       0.00251  -0.00000  -0.00042   0.00043   0.00001   0.00252
   D226      -3.13260   0.00005   0.00199   0.00084   0.00283  -3.12977
   D227       3.11252   0.00000   0.00034  -0.00105  -0.00070   3.11181
   D228      -0.02259   0.00005   0.00276  -0.00064   0.00212  -0.02047
   D229       3.12339  -0.00003  -0.00064  -0.00145  -0.00210   3.12129
   D230      -0.01158  -0.00002  -0.00190   0.00010  -0.00179  -0.01338
   D231       0.02050  -0.00003  -0.00154   0.00035  -0.00120   0.01930
   D232      -3.11446  -0.00002  -0.00280   0.00190  -0.00090  -3.11536
   D233      -0.00326   0.00000   0.00047  -0.00040   0.00007  -0.00319
   D234       3.12959  -0.00005  -0.00240  -0.00075  -0.00315   3.12644
   D235       3.13055  -0.00006  -0.00241  -0.00090  -0.00331   3.12724
   D236      -0.01978  -0.00011  -0.00529  -0.00125  -0.00653  -0.02631
   D237       0.00877  -0.00004  -0.00178  -0.00007  -0.00185   0.00692
   D238      -3.13971  -0.00002  -0.00151   0.00063  -0.00088  -3.14059
   D239      -3.12427   0.00002   0.00139   0.00048   0.00187  -3.12240
   D240       0.01044   0.00005   0.00167   0.00118   0.00284   0.01328
   D241       0.00284  -0.00000  -0.00035   0.00023  -0.00012   0.00271
   D242       3.11166   0.00001   0.00040  -0.00097  -0.00057   3.11109
   D243      -3.13148   0.00004   0.00206   0.00052   0.00257  -3.12891
   D244      -0.02265   0.00005   0.00280  -0.00069   0.00212  -0.02053
   D245      -3.12326   0.00002   0.00133   0.00043   0.00176  -3.12151
   D246       0.01088   0.00005   0.00174   0.00104   0.00278   0.01365
   D247       0.00872  -0.00004  -0.00184   0.00005  -0.00179   0.00693
   D248      -3.14032  -0.00001  -0.00142   0.00066  -0.00077  -3.14109
   D249       3.12197  -0.00003  -0.00065  -0.00116  -0.00182   3.12015
   D250      -0.01152  -0.00002  -0.00206   0.00019  -0.00187  -0.01339
   D251       0.02054  -0.00004  -0.00154   0.00030  -0.00125   0.01929
   D252      -3.11295  -0.00003  -0.00295   0.00165  -0.00130  -3.11425
   D253       0.00251   0.00000  -0.00037   0.00045   0.00008   0.00258
   D254      -3.13278   0.00005   0.00196   0.00078   0.00273  -3.13005
   D255       3.11449   0.00000   0.00055  -0.00127  -0.00072   3.11377
   D256      -0.02081   0.00005   0.00288  -0.00095   0.00194  -0.01887
   D257       3.12405  -0.00003  -0.00061  -0.00158  -0.00220   3.12185
   D258      -0.01089  -0.00002  -0.00194   0.00003  -0.00191  -0.01280
   D259       0.01874  -0.00003  -0.00172   0.00052  -0.00121   0.01753
   D260      -3.11621  -0.00002  -0.00305   0.00213  -0.00092  -3.11712
   D261      -0.00299  -0.00000   0.00043  -0.00055  -0.00012  -0.00311
   D262       3.13124  -0.00006  -0.00234  -0.00103  -0.00337   3.12787
   D263       3.13103  -0.00006  -0.00236  -0.00094  -0.00330   3.12773
   D264      -0.01793  -0.00011  -0.00513  -0.00142  -0.00655  -0.02447
   D265       0.00821  -0.00004  -0.00178   0.00018  -0.00161   0.00660
   D266      -3.14017  -0.00001  -0.00145   0.00072  -0.00073  -3.14090
   D267      -3.12506   0.00002   0.00129   0.00060   0.00189  -3.12317
   D268       0.00974   0.00005   0.00162   0.00115   0.00277   0.01251
   D269       0.00241   0.00000  -0.00033   0.00045   0.00011   0.00252
   D270       3.11463  -0.00000   0.00056  -0.00139  -0.00082   3.11381
   D271      -3.13306   0.00005   0.00198   0.00085   0.00283  -3.13023
   D272      -0.02083   0.00005   0.00287  -0.00099   0.00189  -0.01894
   D273      -3.12535   0.00002   0.00123   0.00076   0.00199  -3.12336
   D274       0.00953   0.00005   0.00161   0.00120   0.00281   0.01234
   D275       0.00815  -0.00004  -0.00182   0.00024  -0.00159   0.00656
   D276      -3.14015  -0.00001  -0.00144   0.00068  -0.00077  -3.14092
   D277       3.12445  -0.00004  -0.00059  -0.00174  -0.00234   3.12212
   D278      -0.01048  -0.00002  -0.00194  -0.00005  -0.00199  -0.01247
   D279       0.01883  -0.00003  -0.00166   0.00050  -0.00116   0.01767
   D280      -3.11609  -0.00002  -0.00301   0.00219  -0.00082  -3.11691
   D281      -0.00287   0.00000   0.00038  -0.00040  -0.00002  -0.00288
   D282       3.13131  -0.00005  -0.00206  -0.00066  -0.00272   3.12859
   D283      -3.11064  -0.00000  -0.00015   0.00098   0.00082  -3.10981
   D284       0.02354  -0.00005  -0.00259   0.00071  -0.00188   0.02166
   D285      -3.12162   0.00003   0.00078   0.00130   0.00209  -3.11953
   D286       0.01180   0.00002   0.00201  -0.00013   0.00188   0.01368
   D287      -0.02150   0.00003   0.00139  -0.00037   0.00103  -0.02047
   D288       3.11192   0.00002   0.00261  -0.00180   0.00082   3.11274
   D289       0.00319   0.00000  -0.00051   0.00056   0.00004   0.00323
   D290      -3.12971   0.00006   0.00230   0.00104   0.00334  -3.12637
   D291      -3.12951   0.00006   0.00240   0.00088   0.00328  -3.12623
   D292       0.02078   0.00011   0.00521   0.00137   0.00657   0.02735
   D293      -0.00891   0.00004   0.00170  -0.00003   0.00168  -0.00723
   D294       3.14011   0.00001   0.00137  -0.00068   0.00070   3.14081
   D295       3.12291  -0.00002  -0.00151  -0.00038  -0.00188   3.12103
   D296      -0.01126  -0.00005  -0.00183  -0.00103  -0.00286  -0.01412
   D297      -0.00237  -0.00000   0.00046  -0.00051  -0.00005  -0.00242
   D298      -3.11073   0.00000  -0.00028   0.00117   0.00089  -3.10985
   D299       3.13197  -0.00005  -0.00190  -0.00092  -0.00281   3.12917
   D300       0.02361  -0.00005  -0.00263   0.00077  -0.00186   0.02174
   D301       3.12303  -0.00003  -0.00135  -0.00070  -0.00204   3.12099
   D302      -0.01138  -0.00005  -0.00165  -0.00120  -0.00285  -0.01423
   D303      -0.00900   0.00004   0.00174  -0.00016   0.00158  -0.00742
   D304       3.13977   0.00001   0.00144  -0.00066   0.00078   3.14055
   D305      -3.12237   0.00004   0.00055   0.00177   0.00232  -3.12005
   D306       0.01166   0.00002   0.00180   0.00002   0.00182   0.01348
   D307      -0.02152   0.00003   0.00141  -0.00028   0.00114  -0.02038
   D308       3.11251   0.00002   0.00266  -0.00203   0.00063   3.11314
   D309       0.00629   0.00001  -0.00026   0.00093   0.00067   0.00696
   D310      -3.13952  -0.00002  -0.00062  -0.00003  -0.00065  -3.14017
   D311      -3.12784  -0.00001  -0.00068   0.00033  -0.00035  -3.12819
   D312       0.00954  -0.00005  -0.00104  -0.00063  -0.00167   0.00787
   D313      -0.00824   0.00000   0.00154  -0.00135   0.00019  -0.00804
   D314       3.12987  -0.00001  -0.00041  -0.00024  -0.00065   3.12922
   D315       3.13756   0.00004   0.00190  -0.00039   0.00151   3.13907
   D316      -0.00751   0.00002  -0.00005   0.00071   0.00067  -0.00685
   D317      -0.00516   0.00001  -0.00063   0.00071   0.00009  -0.00507
   D318       3.12837   0.00000   0.00078  -0.00063   0.00014   3.12851
   D319       3.13991   0.00002   0.00131  -0.00039   0.00093   3.14083
   D320      -0.00976   0.00002   0.00271  -0.00173   0.00098  -0.00878
   D321      -0.00526   0.00000  -0.00058   0.00064   0.00006  -0.00520
   D322       3.13868   0.00002   0.00148  -0.00041   0.00106   3.13974
   D323       3.12974  -0.00001   0.00067  -0.00091  -0.00024   3.12950
   D324      -0.00951   0.00001   0.00273  -0.00196   0.00077  -0.00874
   D325      -0.00801   0.00000   0.00150  -0.00134   0.00016  -0.00786
   D326       3.13684   0.00004   0.00208  -0.00041   0.00167   3.13851
   D327       3.13122  -0.00002  -0.00056  -0.00029  -0.00086   3.13037
   D328      -0.00711   0.00002   0.00001   0.00064   0.00066  -0.00645
   D329       0.00610   0.00002  -0.00027   0.00103   0.00076   0.00685
   D330      -3.12860  -0.00001  -0.00055   0.00033  -0.00022  -3.12882
   D331      -3.13876  -0.00002  -0.00085   0.00008  -0.00076  -3.13953
   D332       0.00972  -0.00005  -0.00113  -0.00061  -0.00174   0.00798
   D333       0.00558   0.00001  -0.00030   0.00095   0.00065   0.00622
   D334      -3.13925  -0.00002  -0.00074  -0.00009  -0.00083  -3.14008
   D335      -3.12930  -0.00001  -0.00069   0.00052  -0.00018  -3.12948
   D336       0.00906  -0.00005  -0.00113  -0.00052  -0.00165   0.00741
   D337      -0.00742   0.00000   0.00153  -0.00146   0.00007  -0.00735
   D338       3.13138  -0.00001  -0.00042  -0.00035  -0.00077   3.13060
   D339       3.13739   0.00004   0.00197  -0.00043   0.00155   3.13894
   D340      -0.00699   0.00002   0.00002   0.00068   0.00070  -0.00630
   D341      -0.00476   0.00001  -0.00054   0.00072   0.00017  -0.00458
   D342       3.13020  -0.00001   0.00080  -0.00097  -0.00016   3.13004
   D343       3.13962   0.00002   0.00141  -0.00039   0.00102   3.14064
   D344      -0.00861   0.00001   0.00275  -0.00207   0.00068  -0.00793
   D345      -0.00468   0.00001  -0.00048   0.00067   0.00019  -0.00449
   D346       3.13976   0.00002   0.00148  -0.00041   0.00107   3.14082
   D347       3.13029  -0.00001   0.00084  -0.00094  -0.00010   3.13019
   D348      -0.00846   0.00001   0.00280  -0.00202   0.00078  -0.00768
   D349      -0.00742   0.00000   0.00153  -0.00144   0.00009  -0.00733
   D350       3.13740   0.00004   0.00198  -0.00043   0.00155   3.13895
   D351       3.13132  -0.00001  -0.00044  -0.00035  -0.00079   3.13053
   D352      -0.00704   0.00002   0.00001   0.00065   0.00067  -0.00638
   D353       0.00550   0.00001  -0.00035   0.00098   0.00063   0.00613
   D354      -3.12930  -0.00001  -0.00068   0.00044  -0.00024  -3.12954
   D355      -3.13933  -0.00002  -0.00080  -0.00003  -0.00083  -3.14016
   D356       0.00906  -0.00005  -0.00114  -0.00057  -0.00171   0.00735
   D357      -0.00661  -0.00001   0.00023  -0.00089  -0.00066  -0.00727
   D358       3.13885   0.00002   0.00080   0.00004   0.00084   3.13969
   D359       3.12780   0.00001   0.00054  -0.00040   0.00015   3.12794
   D360      -0.00993   0.00005   0.00111   0.00054   0.00165  -0.00828
   D361       0.00851  -0.00000  -0.00147   0.00141  -0.00005   0.00846
   D362      -3.13027   0.00001   0.00060   0.00026   0.00086  -3.12941
   D363      -3.13694  -0.00004  -0.00203   0.00048  -0.00155  -3.13849
   D364       0.00746  -0.00002   0.00004  -0.00067  -0.00064   0.00682
   D365       0.00553  -0.00001   0.00063  -0.00081  -0.00018   0.00536
   D366      -3.12854   0.00001  -0.00061   0.00093   0.00032  -3.12822
   D367      -3.13886  -0.00002  -0.00143   0.00035  -0.00108  -3.13994
   D368       0.01025  -0.00001  -0.00267   0.00209  -0.00059   0.00966
   D369       0.00551  -0.00000   0.00063  -0.00064  -0.00001   0.00550
   D370      -3.13933  -0.00002  -0.00132   0.00045  -0.00087  -3.14020
   D371      -3.12795   0.00001  -0.00059   0.00078   0.00019  -3.12776
   D372       0.01040  -0.00001  -0.00254   0.00187  -0.00066   0.00973
   D373       0.00857  -0.00000  -0.00146   0.00132  -0.00014   0.00843
   D374      -3.13729  -0.00004  -0.00191   0.00039  -0.00151  -3.13881
   D375      -3.12976   0.00001   0.00049   0.00022   0.00072  -3.12904
   D376       0.00756  -0.00002   0.00005  -0.00070  -0.00065   0.00691
   D377      -0.00671  -0.00001   0.00025  -0.00095  -0.00070  -0.00741
   D378       3.12745   0.00001   0.00058  -0.00031   0.00027   3.12773
   D379       3.13917   0.00002   0.00069  -0.00002   0.00067   3.13984
   D380      -0.00986   0.00005   0.00103   0.00062   0.00165  -0.00821
         Item               Value     Threshold  Converged?
 Maximum Force            0.000914     0.000450     NO 
 RMS     Force            0.000136     0.000300     YES
 Maximum Displacement     0.170882     0.001800     NO 
 RMS     Displacement     0.026303     0.001200     NO 
 Predicted change in Energy=-5.724563D-05
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C74H46ClN5
 Framework group  C1[X(C74H46ClN5)]
 Deg. of freedom   372
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        1.260106    2.450098   -0.052994
      2          6           0        1.598064    1.096208   -0.008522
      3          6           0        0.629692    0.075691    0.009462
      4          6           0       -0.732737    0.453764   -0.019646
      5          6           0       -1.079743    1.816678   -0.071684
      6          6           0       -0.107136    2.796951   -0.087788
      7          6           0        0.990665   -1.352215    0.033495
      8          6           0       -0.020366   -2.357692    0.059965
      9          6           0       -1.415199   -1.957889    0.083980
     10          6           0       -1.779788   -0.562577    0.014469
     11          6           0        2.331920   -1.764862    0.029094
     12          6           0        2.709480   -3.110467    0.035732
     13          6           0        1.691221   -4.083678    0.045121
     14          6           0        0.359481   -3.718386    0.056731
     15          7           0       -2.418077   -2.850504    0.161513
     16          6           0       -3.729799   -2.476201    0.146230
     17          6           0       -4.030820   -1.085910    0.038382
     18          7           0       -3.043809   -0.165036   -0.011484
     19          6           0       -4.774124   -3.427529    0.230228
     20          6           0       -6.074165   -2.982717    0.195453
     21          6           0       -6.411286   -1.596917    0.080750
     22          6           0       -5.384506   -0.671529    0.007378
     23          6           0        2.311669    3.495883   -0.066616
     24          6           0        4.138799   -3.500116    0.033823
     25          6           0       -7.831447   -1.175197    0.043172
     26          6           0        4.576856   -4.634339    0.739304
     27          6           0        5.918739   -4.999492    0.755709
     28          6           0        6.863523   -4.248981    0.042991
     29          6           0        6.439454   -3.123443   -0.676374
     30          6           0        5.099002   -2.752808   -0.669882
     31          6           0        2.156004    4.667528   -0.826733
     32          6           0        3.143973    5.646589   -0.854547
     33          6           0        4.314126    5.489389   -0.100297
     34          6           0        4.478230    4.332256    0.672405
     35          6           0        3.493832    3.349254    0.678951
     36          6           0       -8.803406   -1.831690    0.817220
     37          6           0      -10.133671   -1.425846    0.798685
     38          6           0      -10.535635   -0.360714   -0.018593
     39          6           0       -9.578692    0.294539   -0.805976
     40          6           0       -8.246995   -0.103599   -0.765343
     41          7           0        5.318600    6.488875   -0.117487
     42          7           0        8.229226   -4.624051    0.047299
     43          7           0      -11.891155    0.046358   -0.051050
     44          6           0        8.733229   -5.893570   -0.270781
     45          6           0       10.145659   -5.869340   -0.154031
     46          6           0       10.512035   -4.529450    0.255230
     47          6           0        9.308525   -3.788724    0.367605
     48          6           0        6.673217    6.285209   -0.414044
     49          6           0        7.353938    7.525808   -0.328502
     50          6           0        6.369281    8.522094    0.038921
     51          6           0        5.126998    7.849648    0.158559
     52          6           0      -12.360059    1.355087    0.134601
     53          6           0      -13.773474    1.355931    0.027423
     54          6           0      -14.177339   -0.009124   -0.238084
     55          6           0      -12.994771   -0.789409   -0.278066
     56          6           0       11.733397   -3.909595    0.542404
     57          6           0       11.740011   -2.576438    0.941765
     58          6           0       10.536862   -1.861616    1.064191
     59          6           0        9.307641   -2.454524    0.783376
     60          6           0        8.053322   -7.041386   -0.686808
     61          6           0        8.809796   -8.178206   -0.963389
     62          6           0       10.208996   -8.176217   -0.836774
     63          6           0       10.881743   -7.025506   -0.437142
     64          6           0        6.434876    9.898666    0.282783
     65          6           0        5.276432   10.578679    0.646443
     66          6           0        4.056486    9.893841    0.775402
     67          6           0        3.963310    8.524227    0.537347
     68          6           0        7.335171    5.111477   -0.783987
     69          6           0        8.700748    5.193036   -1.048137
     70          6           0        9.393845    6.411424   -0.953142
     71          6           0        8.726222    7.579694   -0.597995
     72          6           0      -15.416938   -0.621951   -0.453368
     73          6           0      -15.461548   -1.988546   -0.712006
     74          6           0      -14.278499   -2.744170   -0.765653
     75          6           0      -13.031951   -2.158895   -0.553809
     76          6           0      -11.648985    2.521869    0.427844
     77          6           0      -12.374367    3.700606    0.588596
     78          6           0      -13.773785    3.722012    0.468162
     79          6           0      -14.477961    2.553747    0.192527
     80          1           0       -2.265295   -3.950613    0.312472
     81          1           0        2.649437    0.839690   -0.017176
     82          1           0       -2.131031    2.077618   -0.085121
     83          1           0       -0.397609    3.842397   -0.097384
     84          1           0        3.117845   -1.021396    0.048637
     85          1           0        1.945227   -5.137786    0.015887
     86          1           0       -0.391685   -4.503738    0.070014
     87          1           0       -4.518097   -4.479519    0.314586
     88          1           0       -6.876313   -3.712525    0.231249
     89          1           0       -5.578968    0.393626   -0.046897
     90          1           0        3.865369   -5.214541    1.318072
     91          1           0        6.244759   -5.855345    1.336720
     92          1           0        7.160674   -2.558527   -1.257050
     93          1           0        4.786610   -1.896830   -1.259947
     94          1           0        1.268676    4.796037   -1.438648
     95          1           0        3.024066    6.527870   -1.475513
     96          1           0        5.368151    4.220092    1.282424
     97          1           0        3.625631    2.474690    1.308438
     98          1           0       -8.510134   -2.643515    1.475457
     99          1           0      -10.863533   -1.917630    1.432402
    100          1           0       -9.889402    1.097481   -1.465505
    101          1           0       -7.525062    0.397708   -1.402436
    102          1           0       12.663332   -4.464783    0.460102
    103          1           0       12.681348   -2.084433    1.165958
    104          1           0       10.561559   -0.825410    1.388323
    105          1           0        8.383398   -1.898269    0.892382
    106          1           0        6.974961   -7.050281   -0.798425
    107          1           0        8.303590   -9.082882   -1.286634
    108          1           0       10.768535   -9.079915   -1.057354
    109          1           0       11.964508   -7.021816   -0.351039
    110          1           0        7.379514   10.427474    0.194420
    111          1           0        5.314417   11.646731    0.836806
    112          1           0        3.165532   10.440331    1.070127
    113          1           0        3.019699    8.002110    0.649696
    114          1           0        6.806231    4.168879   -0.869988
    115          1           0        9.237484    4.294189   -1.336803
    116          1           0       10.458470    6.440359   -1.163232
    117          1           0        9.261270    8.522904   -0.535851
    118          1           0      -16.331199   -0.036235   -0.424611
    119          1           0      -16.417085   -2.475848   -0.878912
    120          1           0      -14.332504   -3.807329   -0.980033
    121          1           0      -12.124380   -2.749221   -0.609749
    122          1           0      -10.570225    2.513996    0.535493
    123          1           0      -11.843306    4.620245    0.815609
    124          1           0      -14.308931    4.657697    0.596698
    125          1           0      -15.561051    2.568959    0.112311
    126         17           0       -2.330134   -5.737102    0.616782
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           0.0230027           0.0074961           0.0056909
 Standard basis: 6-31G(d,p) (6D, 7F)
 There are  1434 symmetry adapted cartesian basis functions of A   symmetry.
 There are  1434 symmetry adapted basis functions of A   symmetry.
  1434 basis functions,  2586 primitive gaussians,  1434 cartesian basis functions
   271 alpha electrons      271 beta electrons
       nuclear repulsion energy     10549.8413409840 Hartrees.
 NAtoms=  126 NActive=  126 NUniq=  126 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=T Big=T
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 One-electron integrals computed using PRISM.
 NBasis=  1434 RedAO= T EigKep=  1.51D-04  NBF=  1434
 NBsUse=  1434 1.00D-06 EigRej= -1.00D+00 NBFU=  1434
 Initial guess from the checkpoint file:  "ph.chk"
 B after Tr=    -0.000000   -0.000000    0.000000
         Rot=    1.000000    0.000034   -0.000004    0.000001 Ang=   0.00 deg.
 ExpMin= 1.43D-01 ExpMax= 2.52D+04 ExpMxC= 3.78D+03 IAcc=2 IRadAn=         4 AccDes= 0.00D+00
 Harris functional with IExCor=  402 and IRadAn=       4 diagonalized for initial guess.
 HarFok:  IExCor=  402 AccDes= 0.00D+00 IRadAn=         4 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=        2001
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Petite list used in FoFCou.
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Integral accuracy reduced to 1.0D-05 until final iterations.
 Initial convergence to 1.0D-05 achieved.  Increase integral accuracy.
 SCF Done:  E(RB3LYP) =  -3581.78131499     A.U. after   10 cycles
            NFock= 10  Conv=0.77D-08     -V/T= 2.0089
 Calling FoFJK, ICntrl=      2127 FMM=T ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000241380    0.000147135   -0.000042619
      2        6           0.000024941   -0.000049704    0.000036061
      3        6          -0.000135142   -0.000083508    0.000027192
      4        6           0.000015081    0.000024167   -0.000026668
      5        6          -0.000052720    0.000029165   -0.000101499
      6        6           0.000160937   -0.000021356   -0.000025498
      7        6          -0.000147746    0.000089690    0.000165368
      8        6          -0.000039275   -0.000202554   -0.000243611
      9        6           0.000522524    0.000173117    0.000564736
     10        6          -0.000169773    0.000137212    0.000045665
     11        6           0.000015590    0.000009673   -0.000012619
     12        6          -0.000310161   -0.000117002    0.000023560
     13        6           0.000235245   -0.000056774    0.000149242
     14        6          -0.000110625    0.000130034   -0.000507411
     15        7          -0.000414415   -0.000687702   -0.000686338
     16        6          -0.000241280   -0.000038228   -0.000032813
     17        6           0.000379559   -0.000067276    0.000067932
     18        7          -0.000110950    0.000219438    0.000037613
     19        6           0.000203581    0.000152904   -0.000055575
     20        6          -0.000062129   -0.000136584   -0.000123552
     21        6           0.000291681    0.000209987   -0.000029987
     22        6          -0.000015626   -0.000069491    0.000191701
     23        6           0.000354609   -0.000185997    0.000059598
     24        6           0.000335554    0.000180339   -0.000013872
     25        6          -0.000341977   -0.000251098   -0.000028845
     26        6          -0.000155849   -0.000064523   -0.000038297
     27        6           0.000107973   -0.000040042    0.000053172
     28        6          -0.000179750   -0.000110848   -0.000020772
     29        6           0.000004687    0.000078569   -0.000063249
     30        6          -0.000113802   -0.000063498    0.000074359
     31        6          -0.000162704    0.000072859   -0.000003687
     32        6           0.000137778    0.000067858   -0.000095226
     33        6          -0.000287345    0.000163734   -0.000026986
     34        6           0.000010641   -0.000152997    0.000096028
     35        6          -0.000142180    0.000089249   -0.000046459
     36        6           0.000137287   -0.000035052    0.000206860
     37        6          -0.000004383   -0.000005883    0.000004753
     38        6           0.000163173    0.000059756   -0.000040792
     39        6          -0.000063974   -0.000009506    0.000018191
     40        6           0.000048010    0.000183850   -0.000194690
     41        7           0.000387412   -0.000211982    0.000046832
     42        7           0.000239103    0.000188360    0.000053665
     43        7          -0.000178483   -0.000087110    0.000040922
     44        6           0.000080135   -0.000120783   -0.000061732
     45        6          -0.000008991   -0.000153802   -0.000117582
     46        6          -0.000140928    0.000056111    0.000105812
     47        6          -0.000050149    0.000108112    0.000026527
     48        6          -0.000080325   -0.000154927   -0.000145073
     49        6          -0.000118177   -0.000076726   -0.000141843
     50        6          -0.000025536    0.000155270    0.000123970
     51        6           0.000055588    0.000176989    0.000143958
     52        6          -0.000065393    0.000056835   -0.000052300
     53        6           0.000022275    0.000134077    0.000131785
     54        6           0.000137778   -0.000032076   -0.000136359
     55        6           0.000028328   -0.000096571    0.000021994
     56        6           0.000023361    0.000036216   -0.000113414
     57        6          -0.000048467   -0.000034849    0.000045079
     58        6           0.000009605   -0.000045163   -0.000008782
     59        6           0.000001021    0.000040272    0.000002378
     60        6           0.000036369   -0.000009664    0.000003816
     61        6          -0.000033017    0.000028600    0.000012645
     62        6          -0.000058626   -0.000025798   -0.000044481
     63        6           0.000044293    0.000001538    0.000123072
     64        6           0.000059106   -0.000000260   -0.000113467
     65        6          -0.000062484    0.000021874    0.000034527
     66        6          -0.000033181   -0.000033203   -0.000019289
     67        6           0.000025955    0.000018592   -0.000011315
     68        6          -0.000004711   -0.000037051    0.000015552
     69        6           0.000004804    0.000048427    0.000014072
     70        6          -0.000042570    0.000032729   -0.000049398
     71        6           0.000006923   -0.000036364    0.000121081
     72        6          -0.000011527   -0.000054414    0.000121877
     73        6           0.000045587    0.000048788   -0.000042483
     74        6          -0.000016603    0.000037319    0.000012083
     75        6          -0.000023039   -0.000031513   -0.000002333
     76        6          -0.000040750   -0.000012061    0.000016572
     77        6           0.000027843   -0.000030451   -0.000011537
     78        6           0.000061890    0.000022527    0.000045133
     79        6          -0.000053808    0.000016544   -0.000118140
     80        1           0.000086880    0.000072080    0.000277965
     81        1          -0.000014572    0.000015401    0.000022604
     82        1           0.000014484   -0.000018683   -0.000003316
     83        1          -0.000040277    0.000009769    0.000003222
     84        1          -0.000010285   -0.000005620    0.000031407
     85        1          -0.000026453   -0.000025731   -0.000099418
     86        1          -0.000004149   -0.000016378    0.000126876
     87        1           0.000053971    0.000000138    0.000089351
     88        1          -0.000031288   -0.000012203    0.000010365
     89        1          -0.000035363    0.000007886   -0.000051836
     90        1           0.000035223    0.000000570   -0.000001790
     91        1          -0.000007072    0.000012879   -0.000008893
     92        1           0.000012103   -0.000011525    0.000010610
     93        1           0.000026189    0.000042561   -0.000011308
     94        1           0.000024796    0.000005862    0.000016347
     95        1           0.000002254   -0.000024528    0.000020009
     96        1           0.000024974    0.000011982   -0.000013062
     97        1           0.000011937   -0.000032925   -0.000003641
     98        1           0.000007359    0.000034903   -0.000067479
     99        1           0.000012343   -0.000014406    0.000011253
    100        1          -0.000005004    0.000022670   -0.000012849
    101        1           0.000008123   -0.000005125    0.000062842
    102        1           0.000017086   -0.000015208    0.000037789
    103        1           0.000021106    0.000014970   -0.000027738
    104        1           0.000004738    0.000016680    0.000012083
    105        1          -0.000002296   -0.000008483   -0.000014389
    106        1          -0.000011193    0.000003624    0.000018088
    107        1           0.000016669   -0.000002999   -0.000012903
    108        1           0.000022959    0.000012178    0.000027265
    109        1          -0.000006565    0.000022252   -0.000037391
    110        1          -0.000011301   -0.000025332    0.000035590
    111        1           0.000026998   -0.000009710   -0.000021968
    112        1           0.000016420    0.000001933    0.000017410
    113        1          -0.000006922    0.000005572   -0.000027991
    114        1          -0.000017149    0.000009659    0.000026246
    115        1           0.000009630   -0.000016084   -0.000012617
    116        1           0.000017178   -0.000013848    0.000027935
    117        1           0.000022092    0.000018908   -0.000033355
    118        1          -0.000018921    0.000017928   -0.000035845
    119        1          -0.000018940   -0.000018036    0.000026571
    120        1          -0.000003489   -0.000015902   -0.000015716
    121        1          -0.000019676    0.000001732    0.000001271
    122        1          -0.000006560   -0.000020532    0.000000151
    123        1          -0.000017064    0.000002777    0.000013915
    124        1          -0.000023402   -0.000010179   -0.000029237
    125        1           0.000008987   -0.000024903    0.000034180
    126       17          -0.000012835    0.000269905    0.000146606
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000687702 RMS     0.000118646

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.000273998 RMS     0.000053871
 Search for a local minimum.
 Step number  15 out of a maximum of  756
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points   12   13   14   15
 DE= -1.01D-04 DEPred=-5.72D-05 R= 1.76D+00
 TightC=F SS=  1.41D+00  RLast= 7.49D-02 DXNew= 5.0454D+00 2.2480D-01
 Trust test= 1.76D+00 RLast= 7.49D-02 DXMaxT set to 3.00D+00
 ITU=  1  1  1  1  1  1  1  1  1  1  1  1  0  1  0
     Eigenvalues ---    0.00593   0.00945   0.01520   0.02559   0.02575
     Eigenvalues ---    0.02614   0.02669   0.02677   0.02685   0.02691
     Eigenvalues ---    0.02694   0.02705   0.02707   0.02707   0.02708
     Eigenvalues ---    0.02712   0.02715   0.02718   0.02732   0.02742
     Eigenvalues ---    0.02745   0.02758   0.02762   0.02764   0.02768
     Eigenvalues ---    0.02769   0.02773   0.02776   0.02786   0.02786
     Eigenvalues ---    0.02787   0.02791   0.02792   0.02792   0.02792
     Eigenvalues ---    0.02793   0.02793   0.02793   0.02796   0.02798
     Eigenvalues ---    0.02802   0.02802   0.02802   0.02803   0.02804
     Eigenvalues ---    0.02807   0.02808   0.02808   0.02809   0.02809
     Eigenvalues ---    0.02810   0.02814   0.02818   0.02818   0.02818
     Eigenvalues ---    0.02819   0.02819   0.02821   0.02824   0.02829
     Eigenvalues ---    0.02834   0.02837   0.02838   0.02845   0.02845
     Eigenvalues ---    0.02845   0.02845   0.02845   0.02851   0.02852
     Eigenvalues ---    0.02857   0.02863   0.02868   0.02868   0.02868
     Eigenvalues ---    0.02870   0.02872   0.02872   0.02876   0.02876
     Eigenvalues ---    0.02877   0.02877   0.02877   0.02877   0.02881
     Eigenvalues ---    0.02883   0.02884   0.02884   0.02885   0.02885
     Eigenvalues ---    0.02885   0.02885   0.02885   0.02885   0.02887
     Eigenvalues ---    0.02894   0.02896   0.02896   0.02898   0.02898
     Eigenvalues ---    0.02900   0.02900   0.02901   0.02901   0.02906
     Eigenvalues ---    0.02909   0.02911   0.02927   0.02941   0.02943
     Eigenvalues ---    0.02966   0.03004   0.03025   0.03025   0.03026
     Eigenvalues ---    0.03130   0.03136   0.03136   0.03137   0.03150
     Eigenvalues ---    0.03271   0.03326   0.03602   0.05438   0.10674
     Eigenvalues ---    0.15573   0.15739   0.15897   0.15977   0.15981
     Eigenvalues ---    0.15985   0.15985   0.15987   0.15989   0.15993
     Eigenvalues ---    0.15993   0.15995   0.15995   0.15996   0.15997
     Eigenvalues ---    0.15997   0.15997   0.15998   0.15998   0.15999
     Eigenvalues ---    0.15999   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16001
     Eigenvalues ---    0.16006   0.16014   0.16050   0.16062   0.16146
     Eigenvalues ---    0.17444   0.21737   0.22000   0.22000   0.22000
     Eigenvalues ---    0.22000   0.22000   0.22002   0.22002   0.22003
     Eigenvalues ---    0.22097   0.22439   0.22446   0.22600   0.22601
     Eigenvalues ---    0.22602   0.22602   0.22602   0.22655   0.22717
     Eigenvalues ---    0.22959   0.22966   0.23027   0.23378   0.23484
     Eigenvalues ---    0.23508   0.23873   0.23982   0.24006   0.24300
     Eigenvalues ---    0.24484   0.24485   0.24487   0.24521   0.24532
     Eigenvalues ---    0.24622   0.24693   0.24777   0.24912   0.24963
     Eigenvalues ---    0.24982   0.24983   0.24984   0.24985   0.24986
     Eigenvalues ---    0.24991   0.24997   0.24999   0.25000   0.25000
     Eigenvalues ---    0.25000   0.25000   0.25000   0.25001   0.25002
     Eigenvalues ---    0.25011   0.25013   0.25129   0.25242   0.25587
     Eigenvalues ---    0.26240   0.33206   0.33248   0.33252   0.33254
     Eigenvalues ---    0.33256   0.33257   0.33288   0.33301   0.33390
     Eigenvalues ---    0.33393   0.33396   0.33399   0.33401   0.33430
     Eigenvalues ---    0.33562   0.33567   0.33570   0.33572   0.33576
     Eigenvalues ---    0.33587   0.33613   0.33624   0.33641   0.33645
     Eigenvalues ---    0.33653   0.33663   0.33690   0.33704   0.33714
     Eigenvalues ---    0.33727   0.33806   0.33815   0.33829   0.33832
     Eigenvalues ---    0.33837   0.33843   0.33900   0.33929   0.33931
     Eigenvalues ---    0.33932   0.33936   0.33941   0.34902   0.34954
     Eigenvalues ---    0.35004   0.35560   0.44441   0.44442   0.44443
     Eigenvalues ---    0.45046   0.47893   0.48394   0.48843   0.48968
     Eigenvalues ---    0.48970   0.49292   0.49352   0.49630   0.49811
     Eigenvalues ---    0.49813   0.49832   0.49930   0.49952   0.50050
     Eigenvalues ---    0.50128   0.50404   0.50408   0.50612   0.50612
     Eigenvalues ---    0.50617   0.51206   0.51768   0.52310   0.52458
     Eigenvalues ---    0.52648   0.53261   0.53756   0.54107   0.54111
     Eigenvalues ---    0.54201   0.54204   0.54205   0.54380   0.54568
     Eigenvalues ---    0.54971   0.55041   0.55206   0.55301   0.55318
     Eigenvalues ---    0.55337   0.55350   0.55369   0.55390   0.55434
     Eigenvalues ---    0.55522   0.55698   0.55711   0.55712   0.55717
     Eigenvalues ---    0.55947   0.55951   0.56014   0.56145   0.56147
     Eigenvalues ---    0.56147   0.56165   0.56263   0.56282   0.56288
     Eigenvalues ---    0.56473   0.56662   0.56664   0.56669   0.56670
     Eigenvalues ---    0.56676   0.56699   0.56759   0.56832   0.56869
     Eigenvalues ---    0.56906   0.56909   0.57100   0.57169   0.57171
     Eigenvalues ---    0.57172   0.57182   0.57183   0.59765   0.63051
     Eigenvalues ---    0.64819   0.66100   0.66143   0.67383   0.67694
     Eigenvalues ---    0.67698   0.67705   0.68547   0.70111   0.70131
     Eigenvalues ---    0.73854   0.76177
 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF=       -3 using points:    15   14   13   12   11   10    9
 RFO step:  Lambda=-7.47423326D-05.
 DidBck=F Rises=F RFO-DIIS coefs:    1.86815   -0.72000   -0.22004    0.08041    0.00553
                  RFO-DIIS coefs:    0.00801   -0.02207
 Iteration  1 RMS(Cart)=  0.02786460 RMS(Int)=  0.00010224
 Iteration  2 RMS(Cart)=  0.00026663 RMS(Int)=  0.00003889
 Iteration  3 RMS(Cart)=  0.00000002 RMS(Int)=  0.00003889
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        2.63833   0.00006   0.00046  -0.00021   0.00026   2.63858
    R2        2.66637   0.00005   0.00071  -0.00033   0.00039   2.66676
    R3        2.80268  -0.00023  -0.00160   0.00033  -0.00128   2.80141
    R4        2.65876  -0.00001   0.00058  -0.00036   0.00021   2.65898
    R5        2.04515   0.00001  -0.00035   0.00028  -0.00007   2.04509
    R6        2.67248   0.00012   0.00059  -0.00028   0.00031   2.67279
    R7        2.78361  -0.00001  -0.00072   0.00032  -0.00040   2.78321
    R8        2.65952  -0.00001   0.00005   0.00000   0.00005   2.65957
    R9        2.75824   0.00004   0.00012  -0.00006   0.00008   2.75832
   R10        2.60971  -0.00008   0.00052  -0.00053  -0.00000   2.60971
   R11        2.04708   0.00000  -0.00006   0.00002  -0.00004   2.04705
   R12        2.05053   0.00001  -0.00019   0.00019  -0.00000   2.05052
   R13        2.69501   0.00013   0.00159  -0.00042   0.00114   2.69615
   R14        2.65186   0.00000   0.00011  -0.00017  -0.00006   2.65180
   R15        2.74237   0.00018  -0.00016   0.00057   0.00040   2.74277
   R16        2.66966  -0.00012  -0.00020   0.00000  -0.00021   2.66945
   R17        2.72845   0.00016   0.00279  -0.00090   0.00187   2.73032
   R18        2.54134  -0.00009  -0.00051   0.00065   0.00020   2.54154
   R19        2.50448   0.00011  -0.00025   0.00019  -0.00013   2.50436
   R20        2.64106   0.00003   0.00047  -0.00014   0.00034   2.64140
   R21        2.04475   0.00000  -0.00021   0.00016  -0.00004   2.04471
   R22        2.66182   0.00010  -0.00014   0.00017   0.00004   2.66186
   R23        2.79959  -0.00026  -0.00164   0.00026  -0.00138   2.79821
   R24        2.60967  -0.00008   0.00021  -0.00025  -0.00003   2.60964
   R25        2.04974   0.00001  -0.00017   0.00020   0.00003   2.04977
   R26        2.05382   0.00002  -0.00155   0.00148  -0.00008   2.05374
   R27        2.57790   0.00016  -0.00024   0.00051   0.00034   2.57825
   R28        2.11815  -0.00012   0.00043   0.00080   0.00142   2.11957
   R29        5.52481  -0.00020  -0.00884   0.00266  -0.00638   5.51843
   R30        2.69586   0.00006   0.00054  -0.00051   0.00006   2.69592
   R31        2.67428   0.00018   0.00149  -0.00052   0.00098   2.67525
   R32        2.55266   0.00025  -0.00003   0.00035   0.00027   2.55293
   R33        2.67591  -0.00004   0.00021  -0.00029  -0.00008   2.67583
   R34        2.59738  -0.00008   0.00013  -0.00018  -0.00005   2.59732
   R35        2.05220   0.00001  -0.00073   0.00058  -0.00015   2.05205
   R36        2.70386   0.00004  -0.00059   0.00037  -0.00023   2.70363
   R37        2.05046  -0.00002  -0.00003  -0.00007  -0.00009   2.05036
   R38        2.61575  -0.00001   0.00080  -0.00050   0.00029   2.61604
   R39        2.80044  -0.00023   0.00001  -0.00052  -0.00051   2.79993
   R40        2.04869   0.00002  -0.00024   0.00021  -0.00002   2.04867
   R41        2.65556   0.00007   0.00043  -0.00016   0.00027   2.65583
   R42        2.65564   0.00007   0.00046  -0.00015   0.00032   2.65596
   R43        2.65643   0.00006   0.00039  -0.00015   0.00024   2.65667
   R44        2.65616   0.00006   0.00050  -0.00019   0.00032   2.65648
   R45        2.65561   0.00007   0.00038  -0.00012   0.00026   2.65587
   R46        2.65552   0.00009   0.00052  -0.00014   0.00038   2.65590
   R47        2.62818  -0.00006   0.00015  -0.00024  -0.00009   2.62809
   R48        2.05087   0.00003  -0.00005   0.00016   0.00011   2.05098
   R49        2.64821   0.00004   0.00069  -0.00021   0.00048   2.64869
   R50        2.04959  -0.00001   0.00023  -0.00027  -0.00004   2.04955
   R51        2.64842   0.00002   0.00071  -0.00026   0.00046   2.64888
   R52        2.67638  -0.00019  -0.00192   0.00053  -0.00139   2.67499
   R53        2.62816  -0.00005   0.00017  -0.00022  -0.00006   2.62811
   R54        2.04970  -0.00001   0.00028  -0.00032  -0.00003   2.04966
   R55        2.05143   0.00003  -0.00015   0.00025   0.00009   2.05153
   R56        2.62897  -0.00007   0.00021  -0.00029  -0.00009   2.62889
   R57        2.05129   0.00003  -0.00011   0.00020   0.00009   2.05139
   R58        2.64755   0.00004   0.00072  -0.00024   0.00048   2.64803
   R59        2.04984  -0.00001   0.00023  -0.00030  -0.00007   2.04977
   R60        2.64761   0.00006   0.00078  -0.00021   0.00057   2.64819
   R61        2.67797  -0.00026  -0.00204   0.00045  -0.00159   2.67638
   R62        2.62894  -0.00007   0.00010  -0.00024  -0.00014   2.62880
   R63        2.04986  -0.00002   0.00026  -0.00033  -0.00007   2.04980
   R64        2.05145   0.00003  -0.00015   0.00024   0.00009   2.05154
   R65        2.62846  -0.00002   0.00011  -0.00010   0.00001   2.62846
   R66        2.05133   0.00000   0.00003  -0.00002   0.00001   2.05134
   R67        2.64833  -0.00002   0.00059  -0.00033   0.00026   2.64859
   R68        2.04941   0.00001   0.00024  -0.00020   0.00003   2.04945
   R69        2.64904   0.00001   0.00074  -0.00035   0.00039   2.64942
   R70        2.67528  -0.00019  -0.00170   0.00042  -0.00128   2.67400
   R71        2.62773  -0.00006   0.00003  -0.00015  -0.00012   2.62760
   R72        2.04949   0.00001   0.00025  -0.00020   0.00005   2.04954
   R73        2.05136   0.00002  -0.00004   0.00010   0.00006   2.05142
   R74        2.64859   0.00016  -0.00034   0.00055   0.00022   2.64881
   R75        2.64873   0.00016  -0.00027   0.00051   0.00024   2.64897
   R76        2.65025   0.00010  -0.00034   0.00044   0.00009   2.65034
   R77        2.64916   0.00010  -0.00038   0.00044   0.00006   2.64922
   R78        2.65041   0.00001  -0.00036   0.00023  -0.00012   2.65029
   R79        2.65102   0.00002  -0.00036   0.00027  -0.00009   2.65093
   R80        2.67860   0.00007   0.00088  -0.00046   0.00042   2.67902
   R81        2.64078   0.00000   0.00076  -0.00037   0.00039   2.64117
   R82        2.73654   0.00010  -0.00001   0.00004   0.00004   2.73657
   R83        2.64473  -0.00001   0.00035  -0.00020   0.00015   2.64488
   R84        2.67898   0.00007   0.00088  -0.00045   0.00044   2.67941
   R85        2.64455  -0.00001   0.00033  -0.00020   0.00013   2.64468
   R86        2.64086   0.00001   0.00074  -0.00035   0.00039   2.64125
   R87        2.67901   0.00007   0.00087  -0.00045   0.00042   2.67943
   R88        2.64068   0.00002   0.00077  -0.00032   0.00045   2.64113
   R89        2.73660   0.00009  -0.00003   0.00002  -0.00000   2.73660
   R90        2.64473  -0.00001   0.00033  -0.00020   0.00013   2.64487
   R91        2.67899   0.00006   0.00090  -0.00048   0.00042   2.67941
   R92        2.64475  -0.00001   0.00034  -0.00021   0.00013   2.64489
   R93        2.64069   0.00002   0.00081  -0.00036   0.00045   2.64114
   R94        2.67864   0.00006   0.00089  -0.00047   0.00042   2.67906
   R95        2.64089  -0.00003   0.00075  -0.00047   0.00028   2.64116
   R96        2.73650   0.00012  -0.00001   0.00013   0.00012   2.73662
   R97        2.64449  -0.00000   0.00033  -0.00018   0.00016   2.64464
   R98        2.67842   0.00007   0.00088  -0.00043   0.00045   2.67887
   R99        2.64461  -0.00000   0.00035  -0.00019   0.00016   2.64477
   R100       2.64082  -0.00002   0.00073  -0.00043   0.00030   2.64112
   R101       2.62994  -0.00002   0.00009  -0.00016  -0.00007   2.62987
   R102       2.05258   0.00000  -0.00006   0.00004  -0.00003   2.05255
   R103       2.65473   0.00001   0.00088  -0.00055   0.00033   2.65506
   R104       2.05142  -0.00001  -0.00006   0.00000  -0.00006   2.05135
   R105       2.63302  -0.00000  -0.00020   0.00009  -0.00011   2.63291
   R106       2.05224   0.00001   0.00001  -0.00000   0.00001   2.05225
   R107       2.04887  -0.00001   0.00008  -0.00015  -0.00007   2.04880
   R108       2.63284  -0.00000  -0.00019   0.00009  -0.00011   2.63273
   R109       2.04876  -0.00001   0.00010  -0.00017  -0.00007   2.04869
   R110       2.65491   0.00001   0.00088  -0.00053   0.00034   2.65525
   R111       2.05205   0.00001   0.00002  -0.00002   0.00000   2.05205
   R112       2.62966  -0.00002   0.00008  -0.00017  -0.00008   2.62958
   R113       2.05138  -0.00001  -0.00006  -0.00000  -0.00006   2.05132
   R114       2.05260   0.00000  -0.00007   0.00004  -0.00003   2.05257
   R115       2.62982  -0.00003   0.00007  -0.00017  -0.00010   2.62971
   R116       2.05258   0.00000  -0.00007   0.00004  -0.00003   2.05256
   R117       2.65498   0.00001   0.00086  -0.00055   0.00031   2.65530
   R118       2.05139  -0.00001  -0.00006  -0.00000  -0.00007   2.05132
   R119       2.63289  -0.00001  -0.00022   0.00009  -0.00012   2.63277
   R120       2.05217   0.00001   0.00001  -0.00001   0.00000   2.05217
   R121       2.04896  -0.00001   0.00005  -0.00014  -0.00010   2.04887
   R122       2.63292  -0.00001  -0.00021   0.00009  -0.00012   2.63280
   R123       2.04899  -0.00001   0.00007  -0.00018  -0.00010   2.04889
   R124       2.65497   0.00000   0.00087  -0.00056   0.00031   2.65527
   R125       2.05219   0.00001   0.00002  -0.00001   0.00000   2.05220
   R126       2.62985  -0.00003   0.00009  -0.00018  -0.00010   2.62975
   R127       2.05138  -0.00001  -0.00006  -0.00000  -0.00006   2.05131
   R128       2.05258   0.00000  -0.00007   0.00004  -0.00003   2.05255
   R129       2.62969  -0.00001   0.00010  -0.00014  -0.00004   2.62964
   R130       2.05256   0.00000  -0.00006   0.00003  -0.00003   2.05254
   R131       2.65468   0.00003   0.00088  -0.00049   0.00038   2.65506
   R132       2.05135  -0.00001  -0.00006  -0.00000  -0.00006   2.05129
   R133       2.63297  -0.00000  -0.00019   0.00008  -0.00011   2.63286
   R134       2.05206   0.00001   0.00002  -0.00002   0.00001   2.05207
   R135       2.04868   0.00001   0.00008  -0.00008   0.00000   2.04868
   R136       2.63306  -0.00001  -0.00021   0.00009  -0.00012   2.63294
   R137       2.04874   0.00001   0.00009  -0.00008   0.00001   2.04875
   R138       2.65460   0.00003   0.00088  -0.00049   0.00039   2.65499
   R139       2.05215   0.00001   0.00002  -0.00001   0.00001   2.05216
   R140       2.62983  -0.00001   0.00010  -0.00013  -0.00004   2.62980
   R141       2.05138  -0.00001  -0.00006  -0.00000  -0.00006   2.05132
   R142       2.05255   0.00000  -0.00006   0.00004  -0.00002   2.05253
   R143       3.42679  -0.00006  -0.01020   0.00229  -0.00772   3.41907
    A1        2.06432   0.00002  -0.00045   0.00029  -0.00015   2.06417
    A2        2.10883  -0.00002   0.00037  -0.00021   0.00016   2.10899
    A3        2.11003  -0.00000   0.00008  -0.00009  -0.00001   2.11002
    A4        2.13789  -0.00001   0.00009   0.00000   0.00008   2.13798
    A5        2.05415  -0.00001  -0.00026   0.00001  -0.00025   2.05391
    A6        2.09073   0.00002   0.00019  -0.00001   0.00018   2.09091
    A7        2.05884  -0.00004   0.00028  -0.00034  -0.00005   2.05879
    A8        2.13491   0.00006   0.00014   0.00031   0.00047   2.13538
    A9        2.08929  -0.00002  -0.00037   0.00004  -0.00037   2.08891
   A10        2.09116   0.00002  -0.00037   0.00035  -0.00003   2.09113
   A11        2.09955   0.00006   0.00020   0.00028   0.00046   2.10001
   A12        2.09245  -0.00009   0.00020  -0.00063  -0.00042   2.09203
   A13        2.11086   0.00001   0.00023  -0.00012   0.00011   2.11097
   A14        2.06351  -0.00003   0.00047  -0.00030   0.00016   2.06367
   A15        2.10872   0.00002  -0.00069   0.00043  -0.00027   2.10846
   A16        2.10327  -0.00000   0.00022  -0.00018   0.00004   2.10331
   A17        2.09031  -0.00004   0.00018  -0.00027  -0.00009   2.09022
   A18        2.08917   0.00004  -0.00042   0.00047   0.00006   2.08922
   A19        2.10600  -0.00002   0.00035  -0.00015   0.00016   2.10616
   A20        2.11673   0.00005  -0.00090   0.00052  -0.00033   2.11640
   A21        2.06045  -0.00003   0.00056  -0.00037   0.00018   2.06063
   A22        2.07998   0.00009   0.00128  -0.00019   0.00104   2.08102
   A23        2.08107  -0.00001  -0.00203   0.00095  -0.00109   2.07998
   A24        2.12213  -0.00007   0.00075  -0.00076   0.00005   2.12218
   A25        2.10383  -0.00011  -0.00191   0.00052  -0.00150   2.10233
   A26        2.13514  -0.00007   0.00005   0.00058   0.00059   2.13574
   A27        2.04419   0.00018   0.00185  -0.00109   0.00091   2.04509
   A28        2.08621   0.00001   0.00105  -0.00035   0.00068   2.08689
   A29        2.06560   0.00004  -0.00087   0.00026  -0.00059   2.06500
   A30        2.13135  -0.00005  -0.00015   0.00009  -0.00008   2.13128
   A31        2.14279   0.00000   0.00065  -0.00019   0.00044   2.14323
   A32        2.08532   0.00001   0.00033  -0.00018   0.00016   2.08548
   A33        2.05470  -0.00002  -0.00102   0.00038  -0.00064   2.05406
   A34        2.06004  -0.00000  -0.00068   0.00030  -0.00038   2.05966
   A35        2.11048  -0.00004   0.00019  -0.00030  -0.00010   2.11038
   A36        2.11266   0.00004   0.00049  -0.00000   0.00049   2.11315
   A37        2.11113  -0.00004  -0.00030   0.00008  -0.00023   2.11090
   A38        2.09669  -0.00001   0.00039  -0.00019   0.00021   2.09690
   A39        2.07501   0.00006  -0.00015   0.00013  -0.00001   2.07499
   A40        2.11074   0.00009   0.00200  -0.00077   0.00119   2.11192
   A41        2.10613  -0.00002  -0.00029   0.00020  -0.00009   2.10604
   A42        2.06629  -0.00007  -0.00163   0.00056  -0.00108   2.06522
   A43        2.13448  -0.00015  -0.00308   0.00149  -0.00192   2.13255
   A44        2.16224   0.00019   0.00342  -0.00068   0.00264   2.16488
   A45        2.26776   0.00027   0.00239   0.00124   0.00310   2.27086
   A46        1.98436  -0.00003   0.00061  -0.00066  -0.00022   1.98414
   A47        1.87714  -0.00011   0.00234  -0.00226  -0.00042   1.87673
   A48        2.06138   0.00010   0.00252  -0.00093   0.00176   2.06314
   A49        2.12289   0.00010  -0.00068   0.00065  -0.00014   2.12274
   A50        2.09891  -0.00020  -0.00185   0.00027  -0.00162   2.09730
   A51        2.10946  -0.00001  -0.00006  -0.00024  -0.00028   2.10918
   A52        2.08124   0.00008   0.00061   0.00007   0.00070   2.08194
   A53        2.09233  -0.00007  -0.00051   0.00016  -0.00039   2.09193
   A54        2.08481  -0.00007  -0.00089   0.00073  -0.00024   2.08458
   A55        2.07024   0.00011   0.00121  -0.00023   0.00100   2.07124
   A56        2.07354   0.00000   0.00071  -0.00039   0.00029   2.07383
   A57        2.13939  -0.00011  -0.00190   0.00063  -0.00130   2.13809
   A58        2.13924   0.00002   0.00013   0.00003   0.00017   2.13941
   A59        2.07229  -0.00004  -0.00139   0.00042  -0.00097   2.07132
   A60        2.07134   0.00001   0.00121  -0.00041   0.00080   2.07213
   A61        2.06801  -0.00009  -0.00071  -0.00010  -0.00082   2.06719
   A62        2.09838   0.00011   0.00013   0.00057   0.00071   2.09909
   A63        2.11680  -0.00003   0.00057  -0.00047   0.00011   2.11691
   A64        2.10869   0.00007   0.00059  -0.00003   0.00057   2.10926
   A65        2.04889  -0.00008  -0.00081  -0.00003  -0.00085   2.04804
   A66        2.12520   0.00000   0.00021   0.00007   0.00027   2.12547
   A67        2.11102   0.00005   0.00065  -0.00017   0.00049   2.11151
   A68        2.11530   0.00001   0.00061  -0.00020   0.00041   2.11571
   A69        2.05686  -0.00006  -0.00126   0.00036  -0.00090   2.05596
   A70        2.10856   0.00008   0.00081  -0.00007   0.00074   2.10930
   A71        2.11752  -0.00005   0.00042  -0.00047  -0.00005   2.11747
   A72        2.05710  -0.00003  -0.00123   0.00054  -0.00069   2.05641
   A73        2.11286   0.00011   0.00097  -0.00002   0.00095   2.11381
   A74        2.11179  -0.00002   0.00083  -0.00061   0.00022   2.11201
   A75        2.05853  -0.00008  -0.00180   0.00063  -0.00117   2.05736
   A76        2.11581   0.00002   0.00090  -0.00042   0.00048   2.11629
   A77        2.08829  -0.00003   0.00001  -0.00014  -0.00013   2.08816
   A78        2.07817   0.00001  -0.00094   0.00058  -0.00036   2.07780
   A79        2.09887  -0.00001   0.00020   0.00002   0.00022   2.09909
   A80        2.09847   0.00001  -0.00132   0.00061  -0.00071   2.09776
   A81        2.08564  -0.00000   0.00111  -0.00063   0.00048   2.08611
   A82        2.07963   0.00001  -0.00090   0.00024  -0.00066   2.07897
   A83        2.10219  -0.00000   0.00047  -0.00011   0.00035   2.10254
   A84        2.10137  -0.00001   0.00043  -0.00013   0.00030   2.10167
   A85        2.09817  -0.00000   0.00036  -0.00007   0.00029   2.09847
   A86        2.08503  -0.00000   0.00110  -0.00062   0.00047   2.08551
   A87        2.09969   0.00000  -0.00148   0.00069  -0.00079   2.09890
   A88        2.11656   0.00001   0.00070  -0.00033   0.00038   2.11694
   A89        2.08837  -0.00004   0.00016  -0.00033  -0.00017   2.08820
   A90        2.07711   0.00003  -0.00093   0.00069  -0.00024   2.07687
   A91        2.11637   0.00003   0.00087  -0.00029   0.00058   2.11695
   A92        2.08768  -0.00003   0.00001  -0.00010  -0.00009   2.08759
   A93        2.07822  -0.00001  -0.00092   0.00039  -0.00053   2.07769
   A94        2.09833   0.00001   0.00024   0.00007   0.00031   2.09864
   A95        2.09984  -0.00001  -0.00143   0.00052  -0.00092   2.09892
   A96        2.08481   0.00001   0.00118  -0.00059   0.00059   2.08539
   A97        2.07991  -0.00002  -0.00092   0.00008  -0.00084   2.07907
   A98        2.10174   0.00000   0.00067  -0.00021   0.00046   2.10220
   A99        2.10153   0.00001   0.00025   0.00013   0.00038   2.10192
   A100       2.09820   0.00001   0.00032   0.00003   0.00034   2.09855
   A101       2.08477   0.00000   0.00108  -0.00056   0.00051   2.08529
   A102       2.09995  -0.00001  -0.00142   0.00054  -0.00088   2.09907
   A103       2.11650   0.00003   0.00081  -0.00028   0.00053   2.11703
   A104       2.08728  -0.00003   0.00004  -0.00012  -0.00008   2.08720
   A105       2.07838  -0.00000  -0.00090   0.00041  -0.00048   2.07790
   A106       2.11511   0.00003   0.00117  -0.00048   0.00069   2.11581
   A107       2.09038   0.00001   0.00110  -0.00048   0.00062   2.09099
   A108       2.07680  -0.00005  -0.00236   0.00097  -0.00139   2.07541
   A109       2.09884  -0.00000   0.00043  -0.00011   0.00031   2.09916
   A110       2.09849  -0.00000  -0.00184   0.00091  -0.00094   2.09756
   A111       2.08563   0.00000   0.00137  -0.00077   0.00060   2.08622
   A112       2.07948   0.00001  -0.00132   0.00050  -0.00082   2.07866
   A113       2.10196   0.00001   0.00061  -0.00012   0.00048   2.10245
   A114       2.10174  -0.00002   0.00072  -0.00038   0.00033   2.10207
   A115       2.09846  -0.00000   0.00051  -0.00019   0.00032   2.09878
   A116       2.08526  -0.00000   0.00138  -0.00080   0.00058   2.08584
   A117       2.09915   0.00000  -0.00196   0.00103  -0.00093   2.09822
   A118       2.11572   0.00004   0.00106  -0.00037   0.00069   2.11641
   A119       2.08653  -0.00000   0.00123  -0.00067   0.00055   2.08708
   A120       2.08006  -0.00004  -0.00239   0.00108  -0.00132   2.07874
   A121       2.19585   0.00002  -0.00042   0.00037  -0.00005   2.19580
   A122       2.19622   0.00001  -0.00018   0.00016  -0.00002   2.19620
   A123       1.89111  -0.00002   0.00060  -0.00053   0.00007   1.89118
   A124       2.19639  -0.00001  -0.00035   0.00022  -0.00014   2.19625
   A125       2.19604   0.00001  -0.00031   0.00029  -0.00002   2.19602
   A126       1.89075  -0.00000   0.00067  -0.00051   0.00016   1.89091
   A127       2.19616  -0.00003  -0.00024   0.00005  -0.00019   2.19597
   A128       2.19648  -0.00000  -0.00043   0.00034  -0.00009   2.19639
   A129       1.89054   0.00004   0.00067  -0.00039   0.00029   1.89082
   A130       1.90069  -0.00000  -0.00033   0.00023  -0.00009   1.90060
   A131       2.26034   0.00001   0.00105  -0.00043   0.00061   2.26096
   A132       2.12160  -0.00001  -0.00074   0.00017  -0.00057   2.12104
   A133       1.86628   0.00000  -0.00001   0.00002   0.00001   1.86629
   A134       2.08668  -0.00001   0.00066  -0.00027   0.00038   2.08706
   A135       2.33018   0.00000  -0.00067   0.00025  -0.00042   2.32976
   A136       1.86614   0.00001  -0.00001   0.00004   0.00002   1.86617
   A137       2.33040   0.00000  -0.00067   0.00024  -0.00043   2.32997
   A138       2.08659  -0.00001   0.00066  -0.00027   0.00038   2.08697
   A139       1.90091  -0.00000  -0.00032   0.00022  -0.00010   1.90081
   A140       2.26058   0.00002   0.00104  -0.00040   0.00065   2.26123
   A141       2.12112  -0.00001  -0.00074   0.00016  -0.00058   2.12054
   A142       1.90091  -0.00001  -0.00027   0.00019  -0.00008   1.90083
   A143       2.25998   0.00004   0.00105  -0.00029   0.00076   2.26074
   A144       2.12181  -0.00003  -0.00079   0.00006  -0.00073   2.12108
   A145       1.86593   0.00002  -0.00002   0.00006   0.00004   1.86597
   A146       2.08621   0.00000   0.00067  -0.00019   0.00047   2.08668
   A147       2.33100  -0.00002  -0.00067   0.00013  -0.00054   2.33046
   A148       1.86597   0.00002   0.00000   0.00005   0.00005   1.86603
   A149       2.33093  -0.00002  -0.00072   0.00017  -0.00055   2.33038
   A150       2.08623   0.00000   0.00070  -0.00022   0.00047   2.08671
   A151       1.90085  -0.00000  -0.00032   0.00023  -0.00009   1.90076
   A152       2.25995   0.00003   0.00115  -0.00038   0.00077   2.26072
   A153       2.12190  -0.00003  -0.00085   0.00012  -0.00073   2.12117
   A154       1.90066   0.00000  -0.00034   0.00023  -0.00011   1.90056
   A155       2.26105  -0.00004   0.00105  -0.00070   0.00035   2.26140
   A156       2.12085   0.00004  -0.00074   0.00047  -0.00027   2.12057
   A157       1.86648  -0.00002   0.00000  -0.00003  -0.00003   1.86645
   A158       2.08698  -0.00003   0.00066  -0.00045   0.00020   2.08719
   A159       2.32966   0.00005  -0.00069   0.00049  -0.00020   2.32946
   A160       1.86652  -0.00001  -0.00002   0.00001  -0.00001   1.86651
   A161       2.32957   0.00004  -0.00066   0.00043  -0.00024   2.32933
   A162       2.08705  -0.00003   0.00066  -0.00044   0.00022   2.08726
   A163       1.90057  -0.00001  -0.00032   0.00018  -0.00014   1.90043
   A164       2.26100  -0.00003   0.00102  -0.00061   0.00041   2.26141
   A165       2.12101   0.00003  -0.00073   0.00043  -0.00031   2.12070
   A166       2.07983   0.00002  -0.00013   0.00019   0.00006   2.07989
   A167       2.10048  -0.00005  -0.00018  -0.00018  -0.00036   2.10012
   A168       2.10286   0.00003   0.00032  -0.00001   0.00030   2.10316
   A169       2.10408  -0.00002  -0.00038   0.00005  -0.00032   2.10376
   A170       2.09156   0.00004   0.00015   0.00022   0.00036   2.09192
   A171       2.08753  -0.00002   0.00022  -0.00027  -0.00005   2.08748
   A172       2.11938   0.00003   0.00056  -0.00023   0.00033   2.11971
   A173       2.08523  -0.00000   0.00015  -0.00014   0.00001   2.08524
   A174       2.07857  -0.00003  -0.00071   0.00037  -0.00034   2.07823
   A175       2.05518  -0.00001   0.00007   0.00008   0.00014   2.05533
   A176       2.11796   0.00001   0.00087  -0.00044   0.00043   2.11839
   A177       2.11001   0.00000  -0.00094   0.00037  -0.00057   2.10944
   A178       2.05458  -0.00001   0.00006   0.00007   0.00013   2.05471
   A179       2.11920   0.00001   0.00097  -0.00049   0.00047   2.11967
   A180       2.10939   0.00000  -0.00103   0.00042  -0.00061   2.10878
   A181       2.11965   0.00003   0.00055  -0.00023   0.00033   2.11997
   A182       2.07804  -0.00003  -0.00071   0.00036  -0.00035   2.07769
   A183       2.08550  -0.00000   0.00016  -0.00014   0.00002   2.08552
   A184       2.10428  -0.00002  -0.00037   0.00005  -0.00032   2.10396
   A185       2.08732  -0.00002   0.00020  -0.00026  -0.00005   2.08726
   A186       2.09158   0.00004   0.00016   0.00020   0.00036   2.09195
   A187       2.07939   0.00002  -0.00013   0.00018   0.00005   2.07944
   A188       2.10070  -0.00005  -0.00019  -0.00017  -0.00036   2.10034
   A189       2.10308   0.00003   0.00032  -0.00001   0.00031   2.10339
   A190       2.07961   0.00002  -0.00011   0.00018   0.00007   2.07968
   A191       2.10069  -0.00005  -0.00017  -0.00020  -0.00037   2.10032
   A192       2.10287   0.00003   0.00029   0.00002   0.00031   2.10317
   A193       2.10437  -0.00002  -0.00039   0.00002  -0.00037   2.10400
   A194       2.09147   0.00004   0.00016   0.00022   0.00038   2.09185
   A195       2.08734  -0.00002   0.00023  -0.00024  -0.00002   2.08732
   A196       2.11947   0.00003   0.00054  -0.00020   0.00034   2.11981
   A197       2.08519  -0.00000   0.00015  -0.00012   0.00003   2.08522
   A198       2.07852  -0.00003  -0.00070   0.00032  -0.00037   2.07815
   A199       2.05462  -0.00001   0.00014   0.00008   0.00022   2.05484
   A200       2.11807   0.00002   0.00090  -0.00038   0.00052   2.11859
   A201       2.11048  -0.00001  -0.00105   0.00030  -0.00074   2.10973
   A202       2.05478  -0.00001   0.00012   0.00010   0.00022   2.05500
   A203       2.11777   0.00002   0.00087  -0.00036   0.00051   2.11827
   A204       2.11061  -0.00001  -0.00099   0.00026  -0.00073   2.10988
   A205       2.11936   0.00003   0.00053  -0.00019   0.00034   2.11970
   A206       2.07872  -0.00003  -0.00069   0.00033  -0.00036   2.07835
   A207       2.08510  -0.00000   0.00015  -0.00013   0.00002   2.08512
   A208       2.10435  -0.00002  -0.00039   0.00002  -0.00037   2.10398
   A209       2.08731  -0.00002   0.00023  -0.00023  -0.00001   2.08730
   A210       2.09151   0.00004   0.00016   0.00022   0.00037   2.09189
   A211       2.07969   0.00002  -0.00011   0.00018   0.00007   2.07976
   A212       2.10067  -0.00005  -0.00019  -0.00018  -0.00037   2.10030
   A213       2.10281   0.00003   0.00030  -0.00000   0.00030   2.10311
   A214       2.07948   0.00001  -0.00014   0.00017   0.00003   2.07951
   A215       2.10060  -0.00004  -0.00020  -0.00015  -0.00035   2.10025
   A216       2.10309   0.00003   0.00034  -0.00001   0.00032   2.10341
   A217       2.10405  -0.00001  -0.00038   0.00015  -0.00024   2.10381
   A218       2.09168   0.00003   0.00016   0.00016   0.00032   2.09200
   A219       2.08745  -0.00003   0.00021  -0.00031  -0.00009   2.08735
   A220       2.11963   0.00002   0.00056  -0.00026   0.00031   2.11994
   A221       2.08550  -0.00000   0.00018  -0.00014   0.00003   2.08554
   A222       2.07805  -0.00002  -0.00074   0.00040  -0.00034   2.07771
   A223       2.05495  -0.00003   0.00006  -0.00006   0.00000   2.05495
   A224       2.11944   0.00000   0.00095  -0.00057   0.00038   2.11982
   A225       2.10877   0.00003  -0.00101   0.00063  -0.00038   2.10839
   A226       2.05514  -0.00003   0.00006  -0.00007  -0.00001   2.05513
   A227       2.11889  -0.00000   0.00096  -0.00061   0.00035   2.11924
   A228       2.10913   0.00003  -0.00102   0.00067  -0.00035   2.10878
   A229       2.11955   0.00002   0.00057  -0.00027   0.00030   2.11985
   A230       2.07823  -0.00002  -0.00076   0.00041  -0.00034   2.07789
   A231       2.08540  -0.00000   0.00018  -0.00014   0.00004   2.08544
   A232       2.10397  -0.00001  -0.00039   0.00015  -0.00024   2.10373
   A233       2.08758  -0.00003   0.00022  -0.00031  -0.00009   2.08748
   A234       2.09162   0.00003   0.00016   0.00017   0.00032   2.09195
   A235       2.07967   0.00001  -0.00013   0.00016   0.00003   2.07970
   A236       2.10049  -0.00004  -0.00022  -0.00014  -0.00036   2.10013
   A237       2.10301   0.00003   0.00036  -0.00003   0.00033   2.10334
    D1       -0.00574   0.00000  -0.00095   0.00066  -0.00029  -0.00603
    D2        3.10496   0.00002  -0.00011   0.00049   0.00037   3.10533
    D3        3.13841  -0.00000  -0.00128   0.00048  -0.00080   3.13761
    D4       -0.03408   0.00001  -0.00044   0.00031  -0.00013  -0.03422
    D5        0.00516  -0.00002   0.00063  -0.00091  -0.00028   0.00488
    D6        3.11476  -0.00000   0.00033  -0.00031   0.00002   3.11478
    D7       -3.13899  -0.00001   0.00095  -0.00073   0.00023  -3.13876
    D8       -0.02939   0.00001   0.00066  -0.00013   0.00053  -0.02886
    D9        2.49776  -0.00002   0.00171  -0.00085   0.00086   2.49862
   D10       -0.64457  -0.00002   0.00143  -0.00072   0.00070  -0.64386
   D11       -0.64121  -0.00003   0.00138  -0.00104   0.00034  -0.64087
   D12        2.49965  -0.00003   0.00109  -0.00091   0.00018   2.49983
   D13        0.00047   0.00002   0.00035   0.00055   0.00089   0.00136
   D14        3.12318   0.00007   0.00266   0.00140   0.00406   3.12724
   D15       -3.10960   0.00001  -0.00050   0.00072   0.00022  -3.10938
   D16        0.01312   0.00006   0.00181   0.00157   0.00338   0.01650
   D17        0.00543  -0.00003   0.00058  -0.00151  -0.00093   0.00450
   D18       -3.12789  -0.00006  -0.00128  -0.00153  -0.00281  -3.13069
   D19       -3.11780  -0.00008  -0.00168  -0.00235  -0.00402  -3.12182
   D20        0.03207  -0.00011  -0.00354  -0.00237  -0.00589   0.02618
   D21        3.13449  -0.00005  -0.00581   0.00037  -0.00542   3.12907
   D22       -0.00878   0.00001  -0.00247   0.00062  -0.00184  -0.01062
   D23       -0.02630   0.00001  -0.00345   0.00124  -0.00220  -0.02850
   D24        3.11362   0.00006  -0.00010   0.00148   0.00138   3.11500
   D25       -0.00604   0.00002  -0.00090   0.00130   0.00040  -0.00565
   D26       -3.13328   0.00001  -0.00102   0.00075  -0.00028  -3.13356
   D27        3.12730   0.00005   0.00095   0.00132   0.00227   3.12958
   D28        0.00007   0.00003   0.00083   0.00077   0.00160   0.00166
   D29        0.00460   0.00005   0.00318   0.00094   0.00413   0.00873
   D30        3.13896   0.00006   0.00493   0.00055   0.00551  -3.13871
   D31       -3.12870   0.00003   0.00133   0.00092   0.00225  -3.12645
   D32        0.00565   0.00004   0.00307   0.00052   0.00363   0.00928
   D33        0.00063   0.00000   0.00028  -0.00006   0.00022   0.00085
   D34       -3.10899  -0.00001   0.00057  -0.00064  -0.00007  -3.10906
   D35        3.12749   0.00002   0.00042   0.00050   0.00092   3.12841
   D36        0.01788   0.00000   0.00071  -0.00008   0.00062   0.01850
   D37       -0.01656   0.00015   0.01053   0.00135   0.01189  -0.00467
   D38        3.12061   0.00014   0.01031   0.00046   0.01077   3.13139
   D39        3.12666   0.00010   0.00730   0.00112   0.00842   3.13508
   D40       -0.01935   0.00009   0.00708   0.00023   0.00730  -0.01205
   D41       -3.12826  -0.00010  -0.00323  -0.00280  -0.00604  -3.13430
   D42        0.04352  -0.00008  -0.00164  -0.00305  -0.00469   0.03883
   D43        0.01169  -0.00005   0.00003  -0.00256  -0.00255   0.00915
   D44       -3.09971  -0.00003   0.00162  -0.00281  -0.00120  -3.10091
   D45        0.05370  -0.00020  -0.01095  -0.00277  -0.01370   0.04000
   D46       -3.09581  -0.00016  -0.01256  -0.00141  -0.01396  -3.10977
   D47       -3.08337  -0.00020  -0.01072  -0.00186  -0.01255  -3.09592
   D48        0.05031  -0.00016  -0.01232  -0.00050  -0.01281   0.03749
   D49        0.01412  -0.00007  -0.00922   0.00256  -0.00666   0.00746
   D50       -3.13461   0.00002   0.00083  -0.00063   0.00021  -3.13439
   D51       -3.13200  -0.00007  -0.00945   0.00165  -0.00780  -3.13981
   D52        0.00245   0.00002   0.00061  -0.00154  -0.00093   0.00153
   D53       -0.04810   0.00011   0.00414   0.00166   0.00578  -0.04232
   D54        3.10101   0.00010   0.00233   0.00207   0.00435   3.10536
   D55        3.10101   0.00007   0.00565   0.00036   0.00603   3.10703
   D56       -0.03307   0.00006   0.00384   0.00077   0.00459  -0.02847
   D57       -3.10873  -0.00004  -0.00193  -0.00078  -0.00266  -3.11140
   D58        0.10710  -0.00019  -0.00853  -0.00340  -0.01193   0.09517
   D59        0.13877  -0.00023  -0.00630  -0.00728  -0.01376   0.12501
   D60        0.02520  -0.00000  -0.00348   0.00055  -0.00292   0.02227
   D61       -3.04216  -0.00015  -0.01008  -0.00208  -0.01219  -3.05435
   D62       -3.01049  -0.00019  -0.00785  -0.00595  -0.01402  -3.02451
   D63       -3.12525  -0.00005  -0.00377  -0.00003  -0.00381  -3.12906
   D64        0.00891  -0.00005  -0.00198  -0.00044  -0.00239   0.00652
   D65        0.00177  -0.00002  -0.00505   0.00206  -0.00299  -0.00123
   D66       -3.13915  -0.00002  -0.00337   0.00103  -0.00234  -3.14149
   D67        3.11367  -0.00003  -0.00659   0.00230  -0.00430   3.10936
   D68       -0.02725  -0.00003  -0.00491   0.00126  -0.00365  -0.03090
   D69       -0.00764   0.00005   0.00297   0.00083   0.00380  -0.00383
   D70        3.10472   0.00005   0.00075   0.00170   0.00246   3.10718
   D71        3.13328   0.00004   0.00129   0.00186   0.00315   3.13643
   D72       -0.03755   0.00004  -0.00093   0.00274   0.00180  -0.03574
   D73        2.52289  -0.00003  -0.00042  -0.00005  -0.00047   2.52242
   D74       -0.61894  -0.00004  -0.00112  -0.00006  -0.00118  -0.62012
   D75       -0.61801  -0.00003   0.00132  -0.00111   0.00021  -0.61780
   D76        2.52335  -0.00004   0.00061  -0.00112  -0.00051   2.52284
   D77       -0.00036  -0.00000   0.00412  -0.00312   0.00101   0.00065
   D78       -3.13497  -0.00009  -0.00573   0.00000  -0.00572  -3.14069
   D79       -3.11307  -0.00000   0.00631  -0.00398   0.00233  -3.11075
   D80        0.03550  -0.00009  -0.00354  -0.00086  -0.00440   0.03110
   D81        0.00445  -0.00006   0.00132  -0.00200  -0.00066   0.00379
   D82       -3.14026  -0.00008   0.00105  -0.00217  -0.00108  -3.14134
   D83        3.07875   0.00009   0.00752   0.00036   0.00785   3.08660
   D84       -0.06596   0.00006   0.00724   0.00019   0.00743  -0.05853
   D85        3.06092   0.00012   0.00533   0.00336   0.00846   3.06938
   D86       -0.08379   0.00009   0.00506   0.00319   0.00804  -0.07575
   D87       -0.02994   0.00007   0.00078   0.00231   0.00304  -0.02690
   D88        3.13112   0.00004  -0.00129   0.00231   0.00101   3.13213
   D89        3.11473   0.00010   0.00104   0.00247   0.00345   3.11817
   D90       -0.00740   0.00006  -0.00103   0.00247   0.00142  -0.00598
   D91       -3.13007  -0.00002  -0.00011  -0.00080  -0.00090  -3.13097
   D92        0.00631  -0.00004  -0.00364   0.00069  -0.00295   0.00336
   D93        0.00834  -0.00004  -0.00038  -0.00097  -0.00132   0.00701
   D94       -3.13847  -0.00007  -0.00390   0.00052  -0.00337   3.14135
   D95        0.02272  -0.00003  -0.00041  -0.00107  -0.00148   0.02125
   D96       -3.13846   0.00001   0.00169  -0.00107   0.00057  -3.13789
   D97        0.00040  -0.00003   0.00044  -0.00129  -0.00083  -0.00043
   D98        3.11219  -0.00003  -0.00023  -0.00090  -0.00113   3.11106
   D99       -3.12192  -0.00007  -0.00161  -0.00128  -0.00284  -3.12476
   D100      -0.01013  -0.00006  -0.00228  -0.00090  -0.00313  -0.01327
   D101      -0.00246  -0.00000   0.00240  -0.00174   0.00065  -0.00181
   D102       3.11159  -0.00000   0.00018   0.00009   0.00026   3.11185
   D103      -3.13864   0.00002   0.00605  -0.00329   0.00277  -3.13586
   D104      -0.02458   0.00002   0.00383  -0.00145   0.00238  -0.02220
   D105      -0.00440   0.00003  -0.00298   0.00291  -0.00008  -0.00447
   D106       3.13776   0.00001  -0.00404   0.00238  -0.00166   3.13610
   D107      -3.11847   0.00003  -0.00071   0.00106   0.00034  -3.11812
   D108       0.02369   0.00001  -0.00178   0.00053  -0.00124   0.02245
   D109       0.00534  -0.00001   0.00147  -0.00131   0.00017   0.00551
   D110      -3.10512  -0.00002   0.00219  -0.00171   0.00049  -3.10463
   D111      -3.13682   0.00001   0.00254  -0.00077   0.00177  -3.13505
   D112       0.03590   0.00001   0.00326  -0.00118   0.00210   0.03800
   D113       0.64067  -0.00016  -0.01055  -0.00279  -0.01335   0.62732
   D114      -2.50395  -0.00016  -0.00980  -0.00331  -0.01311  -2.51707
   D115      -2.50035  -0.00019  -0.01164  -0.00334  -0.01497  -2.51532
   D116       0.63822  -0.00019  -0.01089  -0.00386  -0.01474   0.62347
   D117      -3.13043  -0.00000  -0.00126   0.00073  -0.00054  -3.13096
   D118      -0.03519  -0.00000  -0.00232   0.00087  -0.00145  -0.03664
   D119       0.01188  -0.00000  -0.00099   0.00060  -0.00039   0.01149
   D120       3.10711  -0.00000  -0.00205   0.00075  -0.00130   3.10582
   D121      -3.13601   0.00000  -0.00061   0.00046  -0.00015  -3.13616
   D122      -0.04341   0.00000  -0.00180   0.00082  -0.00098  -0.04440
   D123       0.00487   0.00000  -0.00088   0.00058  -0.00030   0.00457
   D124       3.09747   0.00000  -0.00208   0.00094  -0.00113   3.09633
   D125      -3.12887  -0.00001  -0.00156   0.00040  -0.00116  -3.13003
   D126      -0.03370  -0.00000  -0.00226   0.00082  -0.00143  -0.03513
   D127       0.01295  -0.00000  -0.00088   0.00041  -0.00047   0.01248
   D128       3.10812   0.00000  -0.00157   0.00083  -0.00074   3.10738
   D129      -3.13591   0.00001   0.00004   0.00051   0.00054  -3.13537
   D130      -0.04635   0.00002  -0.00153   0.00133  -0.00020  -0.04655
   D131       0.00545   0.00000  -0.00065   0.00050  -0.00015   0.00531
   D132       3.09502   0.00001  -0.00222   0.00132  -0.00090   3.09412
   D133       3.12527   0.00001   0.00148  -0.00055   0.00093   3.12620
   D134       0.02971   0.00003   0.00399  -0.00109   0.00290   0.03260
   D135      -0.01338   0.00001   0.00075  -0.00004   0.00071  -0.01268
   D136      -3.10894   0.00003   0.00325  -0.00058   0.00267  -3.10628
   D137       3.13960   0.00000   0.00017  -0.00011   0.00006   3.13966
   D138       0.04334   0.00002   0.00303  -0.00100   0.00204   0.04538
   D139      -0.00493   0.00000   0.00091  -0.00062   0.00029  -0.00464
   D140      -3.10119   0.00002   0.00377  -0.00150   0.00227  -3.09892
   D141      -0.01969   0.00000   0.00162  -0.00097   0.00064  -0.01905
   D142       3.09995  -0.00000   0.00051  -0.00065  -0.00013   3.09982
   D143      -3.11513  -0.00000   0.00229  -0.00137   0.00091  -3.11422
   D144       0.00451  -0.00001   0.00118  -0.00105   0.00013   0.00465
   D145       0.00782   0.00000  -0.00083   0.00062  -0.00020   0.00761
   D146      -3.13182   0.00000  -0.00063   0.00066   0.00003  -3.13178
   D147      -3.11199   0.00001   0.00030   0.00028   0.00058  -3.11141
   D148       0.03156   0.00001   0.00050   0.00032   0.00082   0.03238
   D149       0.01033  -0.00000  -0.00069   0.00028  -0.00041   0.00992
   D150      -3.10551   0.00001   0.00062   0.00011   0.00074  -3.10477
   D151      -3.13322  -0.00001  -0.00089   0.00024  -0.00065  -3.13387
   D152       0.03413   0.00000   0.00042   0.00008   0.00050   0.03463
   D153       0.91906  -0.00007  -0.01205   0.00022  -0.01182   0.90724
   D154      -2.22502  -0.00006  -0.01125   0.00041  -0.01084  -2.23586
   D155      -2.22055  -0.00007  -0.01184   0.00026  -0.01158  -2.23213
   D156       0.91856  -0.00006  -0.01105   0.00045  -0.01060   0.90796
   D157      -0.01710   0.00000   0.00144  -0.00085   0.00059  -0.01651
   D158      -3.10699  -0.00000   0.00296  -0.00163   0.00133  -3.10566
   D159       3.09852  -0.00001   0.00015  -0.00070  -0.00055   3.09797
   D160       0.00863  -0.00001   0.00167  -0.00148   0.00019   0.00882
   D161      -0.01809   0.00000   0.00181  -0.00109   0.00072  -0.01738
   D162       3.10166  -0.00001   0.00039  -0.00110  -0.00070   3.10096
   D163      -3.11358   0.00000   0.00283  -0.00122   0.00161  -3.11196
   D164       0.00618  -0.00001   0.00141  -0.00123   0.00019   0.00637
   D165       0.00735  -0.00000  -0.00075   0.00038  -0.00037   0.00698
   D166      -3.13305  -0.00000  -0.00063   0.00034  -0.00028  -3.13333
   D167      -3.11259   0.00001   0.00069   0.00038   0.00106  -3.11153
   D168       0.03020   0.00001   0.00081   0.00034   0.00115   0.03135
   D169       0.00916   0.00000  -0.00111   0.00079  -0.00032   0.00884
   D170      -3.10816   0.00001   0.00045   0.00051   0.00096  -3.10720
   D171      -3.13363   0.00000  -0.00123   0.00083  -0.00040  -3.13403
   D172       0.03223   0.00001   0.00033   0.00054   0.00088   0.03311
   D173      -2.20320  -0.00012  -0.01559  -0.00018  -0.01577  -2.21897
   D174       0.93789  -0.00012  -0.01561  -0.00028  -0.01589   0.92200
   D175       0.93960  -0.00012  -0.01546  -0.00022  -0.01568   0.92392
   D176      -2.20249  -0.00012  -0.01549  -0.00032  -0.01581  -2.21829
   D177      -0.01539  -0.00000   0.00193  -0.00128   0.00065  -0.01474
   D178      -3.10823  -0.00000   0.00310  -0.00163   0.00147  -3.10676
   D179       3.10171  -0.00001   0.00039  -0.00101  -0.00062   3.10110
   D180       0.00887  -0.00001   0.00156  -0.00136   0.00020   0.00908
   D181       0.02053  -0.00001  -0.00152   0.00050  -0.00103   0.01951
   D182      -3.09833  -0.00001   0.00115  -0.00084   0.00030  -3.09803
   D183       3.11645  -0.00003  -0.00392   0.00100  -0.00292   3.11353
   D184      -0.00242  -0.00003  -0.00125  -0.00034  -0.00159  -0.00401
   D185      -0.00913   0.00000   0.00066  -0.00031   0.00036  -0.00877
   D186       3.12991   0.00001   0.00037   0.00002   0.00039   3.13030
   D187       3.10990  -0.00000  -0.00202   0.00104  -0.00098   3.10892
   D188      -0.03424   0.00000  -0.00231   0.00137  -0.00095  -0.03519
   D189      -0.00894   0.00001   0.00098  -0.00035   0.00063  -0.00831
   D190       3.10576   0.00000  -0.00237   0.00162  -0.00076   3.10500
   D191       3.13521   0.00000   0.00127  -0.00067   0.00059   3.13580
   D192      -0.03328   0.00000  -0.00208   0.00129  -0.00079  -0.03407
   D193       2.23583   0.00000   0.00716  -0.00098   0.00619   2.24202
   D194      -0.90908   0.00001   0.00766  -0.00081   0.00684  -0.90224
   D195      -0.90835   0.00000   0.00686  -0.00065   0.00622  -0.90213
   D196       2.22993   0.00001   0.00736  -0.00048   0.00687   2.23680
   D197       0.01608  -0.00001  -0.00177   0.00082  -0.00095   0.01513
   D198       3.11251  -0.00003  -0.00454   0.00166  -0.00288   3.10963
   D199      -3.09840  -0.00001   0.00156  -0.00113   0.00042  -3.09798
   D200      -0.00197  -0.00003  -0.00121  -0.00030  -0.00150  -0.00348
   D201       3.14011   0.00000  -0.00000   0.00005   0.00005   3.14016
   D202       0.03209   0.00002   0.00071   0.00106   0.00178   0.03387
   D203      -0.00105   0.00000   0.00002   0.00013   0.00015  -0.00090
   D204      -3.10908   0.00002   0.00074   0.00115   0.00189  -3.10719
   D205       3.14107   0.00000  -0.00003   0.00014   0.00011   3.14118
   D206       0.03293   0.00002   0.00084   0.00106   0.00190   0.03483
   D207      -0.00095   0.00000  -0.00006   0.00006   0.00000  -0.00095
   D208      -3.10909   0.00002   0.00081   0.00098   0.00179  -3.10729
   D209       3.13860   0.00001   0.00069   0.00012   0.00081   3.13941
   D210       0.03268   0.00002   0.00133   0.00086   0.00220   0.03487
   D211      -0.00087  -0.00000   0.00001  -0.00004  -0.00003  -0.00090
   D212      -3.10679   0.00001   0.00065   0.00070   0.00135  -3.10543
   D213      -3.14065  -0.00001  -0.00058  -0.00004  -0.00062  -3.14128
   D214       0.03764  -0.00000  -0.00020   0.00058   0.00038   0.03802
   D215      -0.00119   0.00000   0.00009   0.00012   0.00022  -0.00097
   D216      -3.10608   0.00001   0.00048   0.00074   0.00122  -3.10486
   D217       3.14018   0.00001   0.00042   0.00005   0.00047   3.14065
   D218      -0.03974   0.00001  -0.00042   0.00009  -0.00034  -0.04008
   D219       0.00142  -0.00000   0.00000  -0.00009  -0.00009   0.00133
   D220       3.10469   0.00000  -0.00084  -0.00005  -0.00090   3.10379
   D221      -3.13810  -0.00001  -0.00045  -0.00020  -0.00066  -3.13875
   D222      -0.03428  -0.00001  -0.00133  -0.00030  -0.00163  -0.03591
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   D224       3.10448  -0.00000  -0.00092  -0.00016  -0.00108   3.10341
   D225       0.00252  -0.00000  -0.00010  -0.00006  -0.00016   0.00235
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   D227       3.11181  -0.00001  -0.00065  -0.00074  -0.00139   3.11042
   D228      -0.02047   0.00001   0.00199  -0.00093   0.00107  -0.01941
   D229       3.12129  -0.00001  -0.00177  -0.00010  -0.00187   3.11942
   D230      -0.01338  -0.00000  -0.00116   0.00004  -0.00112  -0.01450
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   D234       3.12644  -0.00002  -0.00282   0.00043  -0.00239   3.12406
   D235       3.12724  -0.00002  -0.00300   0.00035  -0.00264   3.12460
   D236      -0.02631  -0.00004  -0.00598   0.00065  -0.00532  -0.03164
   D237       0.00692  -0.00001  -0.00182   0.00057  -0.00126   0.00565
   D238      -3.14059  -0.00000  -0.00086   0.00039  -0.00047  -3.14106
   D239      -3.12240   0.00002   0.00165   0.00032   0.00197  -3.12043
   D240       0.01328   0.00003   0.00262   0.00015   0.00277   0.01605
   D241       0.00271  -0.00000  -0.00016  -0.00016  -0.00032   0.00240
   D242       3.11109  -0.00001  -0.00046  -0.00073  -0.00120   3.10990
   D243      -3.12891   0.00001   0.00234  -0.00041   0.00192  -3.12698
   D244      -0.02053   0.00001   0.00203  -0.00099   0.00105  -0.01948
   D245      -3.12151   0.00001   0.00150   0.00027   0.00178  -3.11973
   D246       0.01365   0.00002   0.00255   0.00006   0.00261   0.01627
   D247       0.00693  -0.00001  -0.00178   0.00061  -0.00118   0.00576
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   D249       3.12015  -0.00001  -0.00155   0.00006  -0.00150   3.11865
   D250      -0.01339   0.00000  -0.00137   0.00034  -0.00104  -0.01443
   D251       0.01929  -0.00000  -0.00114   0.00074  -0.00040   0.01890
   D252      -3.11425   0.00001  -0.00096   0.00102   0.00007  -3.11418
   D253       0.00258  -0.00001   0.00002  -0.00027  -0.00025   0.00234
   D254      -3.13005   0.00002   0.00247  -0.00030   0.00217  -3.12788
   D255       3.11377  -0.00002  -0.00059  -0.00119  -0.00178   3.11199
   D256      -0.01887   0.00000   0.00186  -0.00123   0.00064  -0.01823
   D257       3.12185  -0.00002  -0.00192  -0.00002  -0.00194   3.11991
   D258      -0.01280  -0.00000  -0.00135   0.00018  -0.00117  -0.01397
   D259       0.01753   0.00000  -0.00114   0.00110  -0.00004   0.01749
   D260      -3.11712   0.00002  -0.00056   0.00130   0.00074  -3.11638
   D261      -0.00311   0.00001  -0.00006   0.00030   0.00024  -0.00287
   D262       3.12787  -0.00002  -0.00304   0.00038  -0.00266   3.12521
   D263       3.12773  -0.00002  -0.00299   0.00034  -0.00265   3.12508
   D264      -0.02447  -0.00005  -0.00597   0.00042  -0.00555  -0.03002
   D265       0.00660  -0.00001  -0.00158   0.00056  -0.00102   0.00558
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   D267      -3.12317   0.00002   0.00165   0.00052   0.00216  -3.12101
   D268       0.01251   0.00003   0.00252   0.00033   0.00284   0.01536
   D269       0.00252  -0.00000   0.00007  -0.00022  -0.00015   0.00237
   D270       3.11381  -0.00002  -0.00068  -0.00107  -0.00174   3.11207
   D271      -3.13023   0.00002   0.00257  -0.00029   0.00227  -3.12796
   D272      -0.01894   0.00000   0.00182  -0.00114   0.00068  -0.01826
   D273      -3.12336   0.00002   0.00171   0.00043   0.00214  -3.12122
   D274       0.01234   0.00003   0.00255   0.00030   0.00285   0.01519
   D275       0.00656  -0.00001  -0.00157   0.00052  -0.00105   0.00550
   D276      -3.14092   0.00000  -0.00074   0.00039  -0.00035  -3.14127
   D277       3.12212  -0.00002  -0.00204   0.00001  -0.00203   3.12009
   D278      -0.01247  -0.00000  -0.00143   0.00015  -0.00128  -0.01375
   D279       0.01767   0.00000  -0.00108   0.00103  -0.00005   0.01762
   D280      -3.11691   0.00002  -0.00047   0.00117   0.00070  -3.11622
   D281      -0.00288   0.00000   0.00003   0.00020   0.00023  -0.00265
   D282       3.12859  -0.00001  -0.00249   0.00041  -0.00208   3.12651
   D283      -3.10981   0.00000   0.00075   0.00020   0.00095  -3.10886
   D284       0.02166  -0.00002  -0.00177   0.00041  -0.00136   0.02030
   D285      -3.11953   0.00001   0.00183  -0.00033   0.00151  -3.11802
   D286       0.01368   0.00000   0.00136  -0.00020   0.00116   0.01484
   D287      -0.02047   0.00001   0.00091  -0.00030   0.00061  -0.01986
   D288       3.11274   0.00000   0.00044  -0.00017   0.00027   3.11300
   D289       0.00323  -0.00000  -0.00005  -0.00024  -0.00029   0.00295
   D290      -3.12637   0.00002   0.00300  -0.00043   0.00257  -3.12380
   D291      -3.12623   0.00002   0.00296  -0.00048   0.00248  -3.12375
   D292       0.02735   0.00004   0.00601  -0.00068   0.00533   0.03268
   D293      -0.00723   0.00001   0.00166  -0.00032   0.00134  -0.00589
   D294       3.14081   0.00000   0.00067  -0.00020   0.00047   3.14128
   D295       3.12103  -0.00001  -0.00166  -0.00005  -0.00171   3.11932
   D296      -0.01412  -0.00002  -0.00265   0.00007  -0.00258  -0.01669
   D297      -0.00242   0.00000   0.00005   0.00019   0.00024  -0.00218
   D298      -3.10985   0.00000   0.00081   0.00030   0.00110  -3.10874
   D299       3.12917  -0.00002  -0.00250   0.00035  -0.00215   3.12702
   D300       0.02174  -0.00001  -0.00174   0.00046  -0.00128   0.02046
   D301       3.12099  -0.00001  -0.00177  -0.00003  -0.00180   3.11919
   D302      -0.01423  -0.00002  -0.00261  -0.00006  -0.00267  -0.01690
   D303      -0.00742   0.00001   0.00158  -0.00024   0.00134  -0.00608
   D304       3.14055   0.00000   0.00075  -0.00028   0.00047   3.14102
   D305      -3.12005   0.00001   0.00195  -0.00036   0.00160  -3.11845
   D306       0.01348   0.00000   0.00119  -0.00002   0.00117   0.01465
   D307      -0.02038   0.00001   0.00098  -0.00047   0.00052  -0.01987
   D308       3.11314   0.00000   0.00022  -0.00013   0.00009   3.11323
   D309       0.00696   0.00001   0.00072  -0.00002   0.00070   0.00766
   D310      -3.14017  -0.00000  -0.00086   0.00037  -0.00049  -3.14066
   D311      -3.12819  -0.00000  -0.00032   0.00019  -0.00013  -3.12832
   D312       0.00787  -0.00002  -0.00191   0.00058  -0.00133   0.00654
   D313      -0.00804  -0.00000   0.00017  -0.00022  -0.00005  -0.00810
   D314       3.12922   0.00000  -0.00090   0.00047  -0.00043   3.12879
   D315       3.13907   0.00001   0.00175  -0.00061   0.00114   3.14021
   D316      -0.00685   0.00001   0.00068   0.00008   0.00076  -0.00609
   D317      -0.00507  -0.00000   0.00003  -0.00014  -0.00011  -0.00518
   D318       3.12851  -0.00001  -0.00014  -0.00042  -0.00056   3.12795
   D319       3.14083  -0.00000   0.00109  -0.00082   0.00027   3.14110
   D320      -0.00878  -0.00001   0.00092  -0.00110  -0.00018  -0.00896
   D321      -0.00520  -0.00000   0.00002  -0.00017  -0.00016  -0.00536
   D322       3.13974  -0.00000   0.00128  -0.00095   0.00033   3.14007
   D323       3.12950  -0.00001  -0.00058  -0.00031  -0.00090   3.12861
   D324      -0.00874  -0.00002   0.00068  -0.00109  -0.00041  -0.00915
   D325      -0.00786  -0.00000   0.00010  -0.00017  -0.00007  -0.00793
   D326       3.13851   0.00001   0.00193  -0.00069   0.00124   3.13975
   D327       3.13037  -0.00000  -0.00117   0.00062  -0.00056   3.12981
   D328      -0.00645   0.00001   0.00066   0.00009   0.00075  -0.00570
   D329       0.00685   0.00001   0.00082  -0.00004   0.00079   0.00764
   D330      -3.12882  -0.00000  -0.00015   0.00014  -0.00001  -3.12883
   D331      -3.13953  -0.00000  -0.00102   0.00049  -0.00053  -3.14005
   D332       0.00798  -0.00001  -0.00199   0.00067  -0.00132   0.00666
   D333       0.00622   0.00001   0.00068   0.00015   0.00083   0.00705
   D334      -3.14008  -0.00000  -0.00107   0.00055  -0.00052  -3.14060
   D335      -3.12948   0.00000  -0.00015   0.00028   0.00012  -3.12935
   D336       0.00741  -0.00001  -0.00191   0.00068  -0.00123   0.00618
   D337      -0.00735  -0.00000   0.00004  -0.00024  -0.00020  -0.00755
   D338       3.13060  -0.00000  -0.00104   0.00045  -0.00059   3.13001
   D339       3.13894   0.00001   0.00179  -0.00064   0.00114   3.14008
   D340      -0.00630   0.00001   0.00071   0.00004   0.00075  -0.00554
   D341      -0.00458  -0.00000   0.00015  -0.00034  -0.00019  -0.00478
   D342       3.13004  -0.00001  -0.00045  -0.00048  -0.00093   3.12910
   D343       3.14064  -0.00001   0.00122  -0.00103   0.00020   3.14083
   D344      -0.00793  -0.00002   0.00062  -0.00116  -0.00055  -0.00848
   D345      -0.00449  -0.00000   0.00017  -0.00035  -0.00017  -0.00466
   D346       3.14082  -0.00000   0.00128  -0.00101   0.00027   3.14109
   D347       3.13019  -0.00002  -0.00039  -0.00055  -0.00094   3.12925
   D348      -0.00768  -0.00002   0.00072  -0.00122  -0.00050  -0.00818
   D349      -0.00733  -0.00001   0.00005  -0.00029  -0.00023  -0.00756
   D350       3.13895   0.00001   0.00179  -0.00063   0.00116   3.14011
   D351       3.13053  -0.00000  -0.00106   0.00038  -0.00068   3.12985
   D352      -0.00638   0.00001   0.00068   0.00004   0.00072  -0.00566
   D353       0.00613   0.00001   0.00066   0.00018   0.00083   0.00696
   D354      -3.12954   0.00000  -0.00021   0.00037   0.00015  -3.12939
   D355      -3.14016  -0.00000  -0.00108   0.00052  -0.00057  -3.14073
   D356       0.00735  -0.00001  -0.00196   0.00071  -0.00125   0.00610
   D357      -0.00727  -0.00001  -0.00074   0.00005  -0.00069  -0.00796
   D358       3.13969   0.00000   0.00107  -0.00063   0.00044   3.14013
   D359       3.12794   0.00001   0.00010   0.00008   0.00018   3.12812
   D360      -0.00828   0.00002   0.00190  -0.00059   0.00131  -0.00698
   D361       0.00846  -0.00000  -0.00001  -0.00006  -0.00007   0.00839
   D362      -3.12941  -0.00000   0.00116  -0.00085   0.00031  -3.12910
   D363      -3.13849  -0.00001  -0.00181   0.00062  -0.00119  -3.13968
   D364       0.00682  -0.00001  -0.00064  -0.00017  -0.00081   0.00601
   D365       0.00536   0.00000  -0.00010   0.00026   0.00016   0.00552
   D366      -3.12822   0.00001   0.00065  -0.00007   0.00058  -3.12764
   D367      -3.13994   0.00001  -0.00127   0.00105  -0.00022  -3.14016
   D368       0.00966   0.00001  -0.00052   0.00072   0.00020   0.00987
   D369       0.00550  -0.00000   0.00004   0.00010   0.00014   0.00564
   D370      -3.14020   0.00000  -0.00105   0.00083  -0.00022  -3.14041
   D371      -3.12776   0.00000   0.00050  -0.00002   0.00048  -3.12728
   D372       0.00973   0.00001  -0.00059   0.00071   0.00013   0.00986
   D373       0.00843  -0.00000  -0.00010  -0.00003  -0.00013   0.00830
   D374      -3.13881  -0.00001  -0.00175   0.00055  -0.00119  -3.14000
   D375      -3.12904  -0.00001   0.00099  -0.00076   0.00022  -3.12882
   D376       0.00691  -0.00001  -0.00066  -0.00018  -0.00084   0.00607
   D377      -0.00741  -0.00001  -0.00075   0.00014  -0.00062  -0.00802
   D378       3.12773   0.00001   0.00023   0.00002   0.00025   3.12798
   D379       3.13984   0.00000   0.00089  -0.00044   0.00045   3.14029
   D380      -0.00821   0.00002   0.00188  -0.00056   0.00132  -0.00689
         Item               Value     Threshold  Converged?
 Maximum Force            0.000274     0.000450     YES
 RMS     Force            0.000054     0.000300     YES
 Maximum Displacement     0.196196     0.001800     NO 
 RMS     Displacement     0.027870     0.001200     NO 
 Predicted change in Energy=-3.743923D-05
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C74H46ClN5
 Framework group  C1[X(C74H46ClN5)]
 Deg. of freedom   372
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        1.258914    2.447654   -0.038477
      2          6           0        1.597976    1.093814    0.003338
      3          6           0        0.630355    0.072507    0.025404
      4          6           0       -0.732602    0.449707    0.002230
      5          6           0       -1.080730    1.812467   -0.047024
      6          6           0       -0.108952    2.793496   -0.066583
      7          6           0        0.991754   -1.355034    0.051659
      8          6           0       -0.019109   -2.361196    0.088925
      9          6           0       -1.414832   -1.963413    0.106723
     10          6           0       -1.779286   -0.567041    0.037207
     11          6           0        2.333202   -1.766884    0.043176
     12          6           0        2.712309   -3.112166    0.058846
     13          6           0        1.694829   -4.085899    0.085717
     14          6           0        0.363010   -3.721090    0.100781
     15          7           0       -2.417377   -2.857091    0.177870
     16          6           0       -3.728770   -2.481114    0.159565
     17          6           0       -4.030231   -1.090517    0.056568
     18          7           0       -3.043158   -0.169309    0.010420
     19          6           0       -4.774754   -3.432072    0.235438
     20          6           0       -6.074625   -2.986966    0.199215
     21          6           0       -6.411497   -1.600783    0.090068
     22          6           0       -5.383713   -0.675737    0.023929
     23          6           0        2.309078    3.493836   -0.055554
     24          6           0        4.141325   -3.500027    0.049192
     25          6           0       -7.831009   -1.178204    0.048442
     26          6           0        4.587351   -4.627018    0.761491
     27          6           0        5.929581   -4.990995    0.769280
     28          6           0        6.867773   -4.246329    0.041388
     29          6           0        6.435716   -3.127729   -0.684486
     30          6           0        5.094932   -2.758640   -0.669912
     31          6           0        2.149416    4.666846   -0.812992
     32          6           0        3.136080    5.647074   -0.843632
     33          6           0        4.310458    5.490031   -0.095466
     34          6           0        4.478855    4.331204    0.674319
     35          6           0        3.495175    3.347616    0.684139
     36          6           0       -8.810339   -1.847411    0.802298
     37          6           0      -10.140487   -1.441416    0.779062
     38          6           0      -10.535747   -0.361613   -0.022319
     39          6           0       -9.571304    0.307288   -0.789173
     40          6           0       -8.240246   -0.092317   -0.744424
     41          7           0        5.313360    6.489846   -0.115644
     42          7           0        8.233093   -4.620011    0.036816
     43          7           0      -11.890237    0.046141   -0.059456
     44          6           0        8.734324   -5.895491   -0.261397
     45          6           0       10.148192   -5.868147   -0.161228
     46          6           0       10.518198   -4.520018    0.216575
     47          6           0        9.315283   -3.777740    0.328001
     48          6           0        6.670121    6.284866   -0.401859
     49          6           0        7.349064    7.527167   -0.323502
     50          6           0        6.361034    8.525779    0.028203
     51          6           0        5.118520    7.853047    0.146445
     52          6           0      -12.359789    1.352735    0.138683
     53          6           0      -13.772681    1.355417    0.022120
     54          6           0      -14.175208   -0.006346   -0.262021
     55          6           0      -12.992400   -0.786612   -0.303650
     56          6           0       11.742440   -3.894923    0.479435
     57          6           0       11.753135   -2.554343    0.852886
     58          6           0       10.550873   -1.837514    0.974320
     59          6           0        9.318851   -2.435623    0.718190
     60          6           0        8.051292   -7.051961   -0.647999
     61          6           0        8.806051   -8.192852   -0.911929
     62          6           0       10.206821   -8.187263   -0.801861
     63          6           0       10.882570   -7.028447   -0.431973
     64          6           0        6.424874    9.904236    0.262081
     65          6           0        5.264194   10.586747    0.613516
     66          6           0        4.043862    9.901996    0.741078
     67          6           0        3.952503    8.530535    0.513579
     68          6           0        7.336251    5.109161   -0.758710
     69          6           0        8.702930    5.190836   -1.016731
     70          6           0        9.393954    6.411122   -0.928845
     71          6           0        8.722511    7.581208   -0.587342
     72          6           0      -15.413507   -0.615422   -0.495220
     73          6           0      -15.457017   -1.978592   -0.771408
     74          6           0      -14.273721   -2.734170   -0.825591
     75          6           0      -13.028447   -2.152609   -0.597080
     76          6           0      -11.650633    2.515793    0.451418
     77          6           0      -12.377140    3.692249    0.622894
     78          6           0      -13.776011    3.715499    0.494310
     79          6           0      -14.478362    2.550906    0.199255
     80          1           0       -2.266754   -3.959838    0.316857
     81          1           0        2.649496    0.838260   -0.010102
     82          1           0       -2.132175    2.072875   -0.056184
     83          1           0       -0.400202    3.838742   -0.074002
     84          1           0        3.118846   -1.022969    0.053426
     85          1           0        1.949179   -5.140166    0.066234
     86          1           0       -0.386877   -4.507427    0.122290
     87          1           0       -4.520450   -4.484914    0.313070
     88          1           0       -6.876191   -3.717606    0.229113
     89          1           0       -5.576930    0.389871   -0.025463
     90          1           0        3.881902   -5.202219    1.352618
     91          1           0        6.260837   -5.840964    1.355900
     92          1           0        7.150424   -2.567372   -1.277466
     93          1           0        4.776452   -1.909106   -1.266096
     94          1           0        1.259797    4.795361   -1.421657
     95          1           0        3.011823    6.528493   -1.463485
     96          1           0        5.371065    4.218224    1.280771
     97          1           0        3.630572    2.472815    1.312610
     98          1           0       -8.523753   -2.669356    1.450863
     99          1           0      -10.874999   -1.944501    1.398400
    100          1           0       -9.875234    1.121727   -1.437719
    101          1           0       -7.514105    0.419289   -1.368466
    102          1           0       12.671353   -4.451869    0.397663
    103          1           0       12.696450   -2.058127    1.058559
    104          1           0       10.578498   -0.795339    1.278481
    105          1           0        8.396071   -1.876986    0.827043
    106          1           0        6.971847   -7.064639   -0.747781
    107          1           0        8.297078   -9.103758   -1.212544
    108          1           0       10.764731   -9.094152   -1.013104
    109          1           0       11.966238   -7.021542   -0.358537
    110          1           0        7.369980   10.432353    0.174758
    111          1           0        5.300570   11.656096    0.796578
    112          1           0        3.150942   10.450088    1.026743
    113          1           0        3.008330    8.009534    0.625901
    114          1           0        6.809889    4.164794   -0.840306
    115          1           0        9.242219    4.290355   -1.295379
    116          1           0       10.459318    6.439937   -1.134988
    117          1           0        9.255295    8.526027   -0.530676
    118          1           0      -16.327410   -0.029208   -0.465738
    119          1           0      -16.411285   -2.463145   -0.952739
    120          1           0      -14.326455   -3.794464   -1.054041
    121          1           0      -12.121070   -2.743118   -0.654251
    122          1           0      -10.572594    2.506905    0.566021
    123          1           0      -11.847328    4.608690    0.865258
    124          1           0      -14.311800    4.649357    0.632785
    125          1           0      -15.560916    2.566817    0.112376
    126         17           0       -2.336421   -5.745870    0.597552
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           0.0230023           0.0074969           0.0056900
 Standard basis: 6-31G(d,p) (6D, 7F)
 There are  1434 symmetry adapted cartesian basis functions of A   symmetry.
 There are  1434 symmetry adapted basis functions of A   symmetry.
  1434 basis functions,  2586 primitive gaussians,  1434 cartesian basis functions
   271 alpha electrons      271 beta electrons
       nuclear repulsion energy     10549.8572706307 Hartrees.
 NAtoms=  126 NActive=  126 NUniq=  126 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=T Big=T
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 One-electron integrals computed using PRISM.
 NBasis=  1434 RedAO= T EigKep=  1.51D-04  NBF=  1434
 NBsUse=  1434 1.00D-06 EigRej= -1.00D+00 NBFU=  1434
 Initial guess from the checkpoint file:  "ph.chk"
 B after Tr=    -0.000000   -0.000000    0.000000
         Rot=    1.000000    0.000024   -0.000003   -0.000150 Ang=   0.02 deg.
 ExpMin= 1.43D-01 ExpMax= 2.52D+04 ExpMxC= 3.78D+03 IAcc=2 IRadAn=         4 AccDes= 0.00D+00
 Harris functional with IExCor=  402 and IRadAn=       4 diagonalized for initial guess.
 HarFok:  IExCor=  402 AccDes= 0.00D+00 IRadAn=         4 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=        2001
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Petite list used in FoFCou.
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Integral accuracy reduced to 1.0D-05 until final iterations.
 Initial convergence to 1.0D-05 achieved.  Increase integral accuracy.
 SCF Done:  E(RB3LYP) =  -3581.78136010     A.U. after   10 cycles
            NFock= 10  Conv=0.83D-08     -V/T= 2.0089
 Calling FoFJK, ICntrl=      2127 FMM=T ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000145355   -0.000016297    0.000015876
      2        6           0.000103474    0.000006938    0.000041633
      3        6           0.000008637    0.000113829    0.000001267
      4        6          -0.000080431   -0.000067990   -0.000007993
      5        6          -0.000121184    0.000079713   -0.000059724
      6        6           0.000065703   -0.000121147   -0.000010727
      7        6           0.000138171   -0.000071361    0.000053375
      8        6          -0.000379171   -0.000157326   -0.000237164
      9        6           0.000099882    0.000510409    0.000414102
     10        6           0.000004632   -0.000348104    0.000090722
     11        6           0.000025364   -0.000120648   -0.000066637
     12        6           0.000026166    0.000128726   -0.000050882
     13        6           0.000129833    0.000047624    0.000085925
     14        6           0.000008411    0.000016577   -0.000062008
     15        7          -0.000460928    0.000206113   -0.000645284
     16        6           0.000426625   -0.000283465    0.000045094
     17        6           0.000143863   -0.000145737    0.000016990
     18        7          -0.000047787    0.000148342    0.000069994
     19        6          -0.000008033    0.000197077    0.000001543
     20        6          -0.000155535   -0.000209965   -0.000074009
     21        6           0.000174693    0.000301029   -0.000007934
     22        6          -0.000024462   -0.000120299    0.000061936
     23        6          -0.000115262    0.000050350   -0.000005474
     24        6          -0.000118330   -0.000082018   -0.000001605
     25        6          -0.000148657   -0.000115602   -0.000055650
     26        6          -0.000083487    0.000004217   -0.000037431
     27        6           0.000051790    0.000052075    0.000001813
     28        6           0.000220606    0.000138367   -0.000005451
     29        6           0.000055620    0.000013549   -0.000011798
     30        6          -0.000022330   -0.000082253    0.000058841
     31        6          -0.000104774   -0.000009866    0.000026216
     32        6           0.000080252   -0.000040766   -0.000020691
     33        6           0.000138855   -0.000083465    0.000008691
     34        6           0.000059835   -0.000033481    0.000042565
     35        6          -0.000024819    0.000091463   -0.000035934
     36        6           0.000097417    0.000004926    0.000049321
     37        6          -0.000073492    0.000044948   -0.000055546
     38        6          -0.000224723   -0.000174222   -0.000034300
     39        6          -0.000036211   -0.000086551    0.000076413
     40        6           0.000080891    0.000127344   -0.000040157
     41        7           0.000253560   -0.000133400    0.000037795
     42        7           0.000138618    0.000100903    0.000027674
     43        7          -0.000090808   -0.000051273    0.000034884
     44        6          -0.000131718   -0.000344263    0.000019037
     45        6           0.000086397   -0.000027882    0.000084619
     46        6           0.000011881    0.000083150   -0.000094501
     47        6          -0.000357345    0.000033222   -0.000034744
     48        6          -0.000404820   -0.000085958   -0.000081800
     49        6           0.000009399   -0.000108491    0.000074900
     50        6           0.000110657    0.000043750   -0.000057127
     51        6          -0.000158262    0.000389558    0.000002303
     52        6           0.000129339    0.000272923   -0.000083165
     53        6          -0.000065766    0.000022403   -0.000085162
     54        6          -0.000004640   -0.000073999    0.000081708
     55        6           0.000303558    0.000006837    0.000063930
     56        6           0.000070870    0.000069655    0.000033928
     57        6           0.000134614    0.000047232   -0.000013068
     58        6          -0.000126796   -0.000116318   -0.000017739
     59        6           0.000055089   -0.000073045    0.000048619
     60        6          -0.000043607    0.000082688   -0.000035663
     61        6          -0.000157752   -0.000056663    0.000023730
     62        6           0.000099402    0.000098760    0.000013429
     63        6           0.000095337    0.000031035   -0.000031604
     64        6           0.000084801   -0.000032122    0.000038728
     65        6           0.000110150   -0.000091368   -0.000002732
     66        6          -0.000163949    0.000053513   -0.000043906
     67        6          -0.000047938   -0.000098501    0.000023923
     68        6           0.000056912    0.000086117   -0.000020619
     69        6          -0.000137175    0.000113685    0.000002462
     70        6           0.000133452   -0.000040297    0.000036160
     71        6           0.000077811   -0.000056682   -0.000016656
     72        6          -0.000068479   -0.000079351   -0.000030806
     73        6          -0.000133126   -0.000046482    0.000008123
     74        6           0.000118213    0.000107396    0.000022217
     75        6          -0.000064129    0.000068166   -0.000039934
     76        6           0.000030679   -0.000085936    0.000050689
     77        6           0.000146073    0.000067211   -0.000019729
     78        6          -0.000096302   -0.000103912   -0.000010313
     79        6          -0.000102252   -0.000025747    0.000029202
     80        1           0.000042853    0.000096393    0.000182525
     81        1          -0.000026149   -0.000023253    0.000011227
     82        1           0.000029829   -0.000038219   -0.000009952
     83        1          -0.000036736    0.000006880   -0.000009558
     84        1          -0.000011167    0.000053229    0.000082483
     85        1          -0.000030808   -0.000016899   -0.000095892
     86        1           0.000087099   -0.000021815    0.000020109
     87        1          -0.000007182   -0.000021256   -0.000009429
     88        1          -0.000010242    0.000025071    0.000056286
     89        1          -0.000031348   -0.000004460   -0.000015435
     90        1           0.000027671    0.000002552    0.000041320
     91        1          -0.000048297    0.000028356   -0.000008846
     92        1           0.000005253   -0.000059750    0.000007821
     93        1           0.000020469    0.000032499   -0.000053886
     94        1           0.000034889    0.000009243   -0.000037888
     95        1          -0.000042342   -0.000037913    0.000007091
     96        1           0.000013770    0.000056692   -0.000013985
     97        1           0.000004474   -0.000034655    0.000044212
     98        1          -0.000033212    0.000003379    0.000027954
     99        1           0.000021687    0.000043997    0.000044637
    100        1           0.000053673   -0.000000456   -0.000045342
    101        1          -0.000012553   -0.000034773   -0.000026266
    102        1          -0.000001902   -0.000016369    0.000000383
    103        1          -0.000006743    0.000017086    0.000008620
    104        1          -0.000013652    0.000010752    0.000015132
    105        1           0.000012958   -0.000036235   -0.000018825
    106        1          -0.000028521    0.000029652    0.000013762
    107        1           0.000003371   -0.000017637   -0.000016236
    108        1           0.000012088   -0.000014132   -0.000009854
    109        1          -0.000015720    0.000005783   -0.000000123
    110        1          -0.000015513   -0.000009277   -0.000001324
    111        1           0.000010052    0.000015082    0.000014067
    112        1           0.000002531    0.000014970    0.000016780
    113        1          -0.000020837   -0.000022225   -0.000027435
    114        1           0.000000371    0.000033152    0.000026562
    115        1          -0.000007530   -0.000012201   -0.000017354
    116        1          -0.000004693   -0.000018115   -0.000014089
    117        1          -0.000000972    0.000017943   -0.000000316
    118        1           0.000004160    0.000013558    0.000001456
    119        1           0.000007238   -0.000015785   -0.000008096
    120        1           0.000019722   -0.000007177   -0.000016120
    121        1          -0.000025649    0.000036081   -0.000001440
    122        1           0.000027759   -0.000035908   -0.000003069
    123        1           0.000001551    0.000020761    0.000014909
    124        1          -0.000011502    0.000012451    0.000006280
    125        1           0.000014407   -0.000000016   -0.000003158
    126       17           0.000026990   -0.000046603    0.000145592
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000645284 RMS     0.000106143

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.000388090 RMS     0.000052417
 Search for a local minimum.
 Step number  16 out of a maximum of  756
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points   12   13   14   15   16
 DE= -4.51D-05 DEPred=-3.74D-05 R= 1.20D+00
 TightC=F SS=  1.41D+00  RLast= 7.66D-02 DXNew= 5.0454D+00 2.2982D-01
 Trust test= 1.20D+00 RLast= 7.66D-02 DXMaxT set to 3.00D+00
 ITU=  1  1  1  1  1  1  1  1  1  1  1  1  1  0  1  0
     Eigenvalues ---    0.00575   0.00799   0.01332   0.02448   0.02576
     Eigenvalues ---    0.02580   0.02668   0.02678   0.02684   0.02692
     Eigenvalues ---    0.02694   0.02705   0.02707   0.02707   0.02708
     Eigenvalues ---    0.02712   0.02716   0.02718   0.02731   0.02737
     Eigenvalues ---    0.02744   0.02758   0.02762   0.02765   0.02768
     Eigenvalues ---    0.02769   0.02774   0.02776   0.02786   0.02786
     Eigenvalues ---    0.02787   0.02791   0.02792   0.02792   0.02792
     Eigenvalues ---    0.02793   0.02793   0.02793   0.02797   0.02800
     Eigenvalues ---    0.02802   0.02802   0.02803   0.02803   0.02804
     Eigenvalues ---    0.02807   0.02808   0.02808   0.02809   0.02809
     Eigenvalues ---    0.02809   0.02814   0.02818   0.02818   0.02818
     Eigenvalues ---    0.02818   0.02819   0.02820   0.02824   0.02828
     Eigenvalues ---    0.02834   0.02837   0.02838   0.02845   0.02845
     Eigenvalues ---    0.02845   0.02845   0.02845   0.02851   0.02853
     Eigenvalues ---    0.02859   0.02863   0.02868   0.02868   0.02868
     Eigenvalues ---    0.02870   0.02872   0.02872   0.02876   0.02877
     Eigenvalues ---    0.02877   0.02877   0.02877   0.02877   0.02882
     Eigenvalues ---    0.02884   0.02884   0.02884   0.02885   0.02885
     Eigenvalues ---    0.02885   0.02885   0.02885   0.02885   0.02887
     Eigenvalues ---    0.02894   0.02896   0.02896   0.02898   0.02898
     Eigenvalues ---    0.02900   0.02901   0.02901   0.02901   0.02909
     Eigenvalues ---    0.02910   0.02912   0.02916   0.02941   0.02943
     Eigenvalues ---    0.02963   0.03025   0.03025   0.03026   0.03039
     Eigenvalues ---    0.03129   0.03136   0.03136   0.03137   0.03150
     Eigenvalues ---    0.03272   0.03337   0.03699   0.05480   0.10735
     Eigenvalues ---    0.15609   0.15740   0.15882   0.15980   0.15981
     Eigenvalues ---    0.15985   0.15985   0.15988   0.15989   0.15993
     Eigenvalues ---    0.15994   0.15995   0.15995   0.15996   0.15997
     Eigenvalues ---    0.15997   0.15997   0.15998   0.15999   0.15999
     Eigenvalues ---    0.15999   0.15999   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16001   0.16004
     Eigenvalues ---    0.16011   0.16015   0.16048   0.16090   0.16159
     Eigenvalues ---    0.17438   0.21900   0.22000   0.22000   0.22000
     Eigenvalues ---    0.22000   0.22001   0.22002   0.22002   0.22003
     Eigenvalues ---    0.22148   0.22443   0.22449   0.22599   0.22600
     Eigenvalues ---    0.22601   0.22602   0.22602   0.22662   0.22751
     Eigenvalues ---    0.22959   0.22966   0.23072   0.23380   0.23483
     Eigenvalues ---    0.23529   0.23879   0.23983   0.24008   0.24309
     Eigenvalues ---    0.24483   0.24484   0.24486   0.24515   0.24529
     Eigenvalues ---    0.24622   0.24687   0.24783   0.24949   0.24979
     Eigenvalues ---    0.24980   0.24981   0.24982   0.24983   0.24992
     Eigenvalues ---    0.24995   0.24999   0.25000   0.25000   0.25000
     Eigenvalues ---    0.25000   0.25000   0.25001   0.25003   0.25006
     Eigenvalues ---    0.25013   0.25069   0.25158   0.25330   0.25802
     Eigenvalues ---    0.26262   0.33222   0.33248   0.33252   0.33254
     Eigenvalues ---    0.33256   0.33257   0.33287   0.33299   0.33390
     Eigenvalues ---    0.33393   0.33396   0.33399   0.33401   0.33431
     Eigenvalues ---    0.33562   0.33567   0.33570   0.33572   0.33576
     Eigenvalues ---    0.33596   0.33613   0.33624   0.33642   0.33645
     Eigenvalues ---    0.33653   0.33664   0.33690   0.33706   0.33717
     Eigenvalues ---    0.33728   0.33812   0.33824   0.33829   0.33833
     Eigenvalues ---    0.33838   0.33849   0.33900   0.33929   0.33931
     Eigenvalues ---    0.33932   0.33937   0.33941   0.34913   0.34955
     Eigenvalues ---    0.35002   0.35589   0.44442   0.44443   0.44444
     Eigenvalues ---    0.45013   0.47867   0.48643   0.48859   0.48968
     Eigenvalues ---    0.48972   0.49291   0.49360   0.49563   0.49808
     Eigenvalues ---    0.49810   0.49827   0.49935   0.49958   0.50064
     Eigenvalues ---    0.50117   0.50405   0.50410   0.50612   0.50612
     Eigenvalues ---    0.50617   0.51355   0.51751   0.52311   0.52464
     Eigenvalues ---    0.52759   0.53159   0.53777   0.54101   0.54108
     Eigenvalues ---    0.54202   0.54204   0.54205   0.54490   0.54578
     Eigenvalues ---    0.55010   0.55061   0.55199   0.55306   0.55319
     Eigenvalues ---    0.55338   0.55350   0.55371   0.55390   0.55435
     Eigenvalues ---    0.55576   0.55692   0.55708   0.55713   0.55716
     Eigenvalues ---    0.55948   0.55951   0.56018   0.56145   0.56147
     Eigenvalues ---    0.56147   0.56189   0.56274   0.56282   0.56289
     Eigenvalues ---    0.56518   0.56661   0.56664   0.56669   0.56670
     Eigenvalues ---    0.56676   0.56700   0.56762   0.56825   0.56905
     Eigenvalues ---    0.56909   0.56965   0.57142   0.57169   0.57171
     Eigenvalues ---    0.57172   0.57183   0.57183   0.61078   0.63131
     Eigenvalues ---    0.65602   0.66101   0.66175   0.67693   0.67694
     Eigenvalues ---    0.67700   0.67722   0.69909   0.70112   0.70199
     Eigenvalues ---    0.73759   0.76149
 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF=       -3 using points:    16   15   14   13   12   11   10    9
 RFO step:  Lambda=-2.24127178D-05.
 DidBck=F Rises=F RFO-DIIS coefs:    2.14800   -1.57519    0.32977    0.07969    0.04061
                  RFO-DIIS coefs:   -0.01214   -0.04744    0.03669
 Iteration  1 RMS(Cart)=  0.02271059 RMS(Int)=  0.00009359
 Iteration  2 RMS(Cart)=  0.00021708 RMS(Int)=  0.00003389
 Iteration  3 RMS(Cart)=  0.00000004 RMS(Int)=  0.00003389
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        2.63858  -0.00004   0.00015  -0.00012   0.00004   2.63862
    R2        2.66676  -0.00008   0.00007  -0.00004   0.00002   2.66678
    R3        2.80141   0.00007  -0.00070   0.00058  -0.00012   2.80129
    R4        2.65898  -0.00012  -0.00003  -0.00017  -0.00020   2.65878
    R5        2.04509   0.00003  -0.00001   0.00009   0.00007   2.04516
    R6        2.67279  -0.00006   0.00022  -0.00031  -0.00008   2.67271
    R7        2.78321   0.00002  -0.00001  -0.00005  -0.00005   2.78316
    R8        2.65957  -0.00001  -0.00000   0.00006   0.00006   2.65963
    R9        2.75832   0.00000   0.00011   0.00005   0.00016   2.75848
   R10        2.60971  -0.00011  -0.00031   0.00012  -0.00018   2.60952
   R11        2.04705   0.00001  -0.00002   0.00003   0.00001   2.04706
   R12        2.05052   0.00001   0.00008  -0.00008  -0.00001   2.05052
   R13        2.69615  -0.00024   0.00054  -0.00064  -0.00010   2.69605
   R14        2.65180  -0.00003  -0.00005  -0.00006  -0.00010   2.65170
   R15        2.74277   0.00009   0.00071  -0.00001   0.00069   2.74346
   R16        2.66945  -0.00006  -0.00034   0.00017  -0.00018   2.66927
   R17        2.73032  -0.00039   0.00066  -0.00078  -0.00012   2.73020
   R18        2.54154  -0.00016   0.00022  -0.00035  -0.00018   2.54136
   R19        2.50436   0.00008   0.00006   0.00000   0.00012   2.50447
   R20        2.64140  -0.00006   0.00014  -0.00014   0.00000   2.64140
   R21        2.04471   0.00002  -0.00003   0.00008   0.00004   2.04475
   R22        2.66186   0.00007   0.00027  -0.00006   0.00021   2.66207
   R23        2.79821   0.00007  -0.00080   0.00066  -0.00015   2.79806
   R24        2.60964  -0.00006  -0.00024   0.00015  -0.00009   2.60955
   R25        2.04977   0.00000   0.00007  -0.00008  -0.00001   2.04975
   R26        2.05374   0.00009   0.00091  -0.00073   0.00018   2.05392
   R27        2.57825   0.00009   0.00049  -0.00004   0.00039   2.57864
   R28        2.11957  -0.00004   0.00221  -0.00291  -0.00089   2.11868
   R29        5.51843   0.00001  -0.00107   0.00112   0.00024   5.51867
   R30        2.69592  -0.00007   0.00007  -0.00017  -0.00011   2.69581
   R31        2.67525  -0.00015   0.00049  -0.00047   0.00001   2.67526
   R32        2.55293   0.00016   0.00041   0.00007   0.00053   2.55345
   R33        2.67583  -0.00010  -0.00017  -0.00007  -0.00024   2.67559
   R34        2.59732  -0.00010  -0.00025   0.00001  -0.00025   2.59708
   R35        2.05205   0.00002   0.00007  -0.00013  -0.00007   2.05198
   R36        2.70363   0.00014   0.00008   0.00030   0.00039   2.70402
   R37        2.05036  -0.00001  -0.00008  -0.00003  -0.00011   2.05025
   R38        2.61604  -0.00007  -0.00010   0.00016   0.00006   2.61611
   R39        2.79993  -0.00016  -0.00080   0.00044  -0.00036   2.79957
   R40        2.04867   0.00000   0.00008  -0.00020  -0.00011   2.04856
   R41        2.65583  -0.00004   0.00015  -0.00011   0.00004   2.65587
   R42        2.65596  -0.00005   0.00017  -0.00012   0.00006   2.65602
   R43        2.65667  -0.00005   0.00011  -0.00009   0.00003   2.65670
   R44        2.65648  -0.00005   0.00016  -0.00009   0.00007   2.65655
   R45        2.65587  -0.00001   0.00015   0.00003   0.00018   2.65605
   R46        2.65590   0.00002   0.00024   0.00010   0.00034   2.65624
   R47        2.62809  -0.00007  -0.00020   0.00001  -0.00019   2.62790
   R48        2.05098   0.00000   0.00018  -0.00016   0.00002   2.05100
   R49        2.64869  -0.00006   0.00015  -0.00008   0.00007   2.64877
   R50        2.04955  -0.00002  -0.00018   0.00018  -0.00000   2.04955
   R51        2.64888  -0.00008   0.00009  -0.00007   0.00002   2.64890
   R52        2.67499   0.00019  -0.00039   0.00034  -0.00005   2.67494
   R53        2.62811  -0.00007  -0.00016  -0.00001  -0.00017   2.62793
   R54        2.04966  -0.00002  -0.00019   0.00018  -0.00001   2.04966
   R55        2.05153   0.00001   0.00020  -0.00023  -0.00003   2.05150
   R56        2.62889  -0.00009  -0.00022   0.00000  -0.00022   2.62867
   R57        2.05139   0.00001   0.00018  -0.00016   0.00002   2.05141
   R58        2.64803  -0.00005   0.00014  -0.00002   0.00011   2.64814
   R59        2.04977  -0.00002  -0.00021   0.00018  -0.00003   2.04974
   R60        2.64819  -0.00006   0.00019  -0.00007   0.00012   2.64831
   R61        2.67638   0.00013  -0.00057   0.00029  -0.00028   2.67610
   R62        2.62880  -0.00007  -0.00022   0.00002  -0.00020   2.62860
   R63        2.04980  -0.00002  -0.00023   0.00021  -0.00002   2.04977
   R64        2.05154   0.00001   0.00018  -0.00018  -0.00000   2.05154
   R65        2.62846  -0.00005  -0.00007  -0.00004  -0.00011   2.62836
   R66        2.05134  -0.00002   0.00006  -0.00017  -0.00011   2.05123
   R67        2.64859  -0.00010  -0.00005  -0.00010  -0.00016   2.64844
   R68        2.04945  -0.00002  -0.00010   0.00012   0.00002   2.04947
   R69        2.64942  -0.00008   0.00003  -0.00004  -0.00001   2.64941
   R70        2.67400   0.00017  -0.00040   0.00038  -0.00001   2.67399
   R71        2.62760  -0.00008  -0.00018  -0.00008  -0.00026   2.62734
   R72        2.04954  -0.00002  -0.00007   0.00008   0.00001   2.04955
   R73        2.05142  -0.00001   0.00012  -0.00026  -0.00014   2.05128
   R74        2.64881   0.00025   0.00051   0.00029   0.00079   2.64961
   R75        2.64897   0.00024   0.00050   0.00031   0.00080   2.64977
   R76        2.65034   0.00020   0.00036   0.00028   0.00063   2.65098
   R77        2.64922   0.00019   0.00034   0.00027   0.00061   2.64983
   R78        2.65029   0.00013   0.00010   0.00029   0.00039   2.65068
   R79        2.65093   0.00012   0.00014   0.00023   0.00037   2.65130
   R80        2.67902  -0.00012   0.00014  -0.00026  -0.00012   2.67890
   R81        2.64117  -0.00011   0.00003  -0.00013  -0.00010   2.64107
   R82        2.73657   0.00004   0.00019  -0.00001   0.00018   2.73675
   R83        2.64488  -0.00008  -0.00004  -0.00007  -0.00011   2.64477
   R84        2.67941  -0.00012   0.00016  -0.00027  -0.00011   2.67931
   R85        2.64468  -0.00008  -0.00005  -0.00007  -0.00012   2.64456
   R86        2.64125  -0.00011   0.00004  -0.00014  -0.00010   2.64116
   R87        2.67943  -0.00013   0.00014  -0.00029  -0.00014   2.67928
   R88        2.64113  -0.00010   0.00010  -0.00016  -0.00006   2.64107
   R89        2.73660   0.00004   0.00015  -0.00001   0.00014   2.73674
   R90        2.64487  -0.00008  -0.00005  -0.00008  -0.00013   2.64474
   R91        2.67941  -0.00013   0.00013  -0.00028  -0.00015   2.67926
   R92        2.64489  -0.00008  -0.00005  -0.00007  -0.00012   2.64476
   R93        2.64114  -0.00011   0.00008  -0.00014  -0.00006   2.64108
   R94        2.67906  -0.00011   0.00014  -0.00021  -0.00007   2.67899
   R95        2.64116  -0.00012  -0.00010  -0.00005  -0.00014   2.64102
   R96        2.73662   0.00005   0.00030  -0.00004   0.00026   2.73688
   R97        2.64464  -0.00007  -0.00002  -0.00005  -0.00007   2.64457
   R98        2.67887  -0.00011   0.00018  -0.00025  -0.00007   2.67880
   R99        2.64477  -0.00007  -0.00003  -0.00006  -0.00008   2.64468
   R100       2.64112  -0.00012  -0.00007  -0.00009  -0.00015   2.64097
   R101       2.62987  -0.00004  -0.00012   0.00004  -0.00008   2.62978
   R102       2.05255   0.00001   0.00002   0.00003   0.00005   2.05260
   R103       2.65506  -0.00016  -0.00007  -0.00011  -0.00019   2.65488
   R104       2.05135   0.00001  -0.00004   0.00004   0.00000   2.05136
   R105       2.63291   0.00002  -0.00000   0.00006   0.00006   2.63297
   R106       2.05225   0.00001   0.00004  -0.00001   0.00003   2.05228
   R107       2.04880  -0.00001  -0.00014   0.00011  -0.00003   2.04878
   R108       2.63273   0.00002  -0.00000   0.00006   0.00006   2.63279
   R109       2.04869  -0.00002  -0.00014   0.00010  -0.00004   2.04865
   R110       2.65525  -0.00016  -0.00006  -0.00011  -0.00018   2.65508
   R111       2.05205   0.00001   0.00003   0.00000   0.00003   2.05208
   R112       2.62958  -0.00004  -0.00013   0.00004  -0.00009   2.62949
   R113       2.05132   0.00001  -0.00005   0.00005   0.00000   2.05132
   R114       2.05257   0.00001   0.00002   0.00002   0.00005   2.05262
   R115       2.62971  -0.00005  -0.00015   0.00005  -0.00010   2.62961
   R116       2.05256   0.00001   0.00002   0.00002   0.00005   2.05260
   R117       2.65530  -0.00017  -0.00009  -0.00011  -0.00020   2.65509
   R118       2.05132   0.00001  -0.00005   0.00004  -0.00000   2.05132
   R119       2.63277   0.00002  -0.00001   0.00007   0.00006   2.63283
   R120       2.05217   0.00001   0.00003   0.00000   0.00003   2.05220
   R121       2.04887  -0.00002  -0.00015   0.00009  -0.00005   2.04881
   R122       2.63280   0.00002  -0.00001   0.00007   0.00006   2.63286
   R123       2.04889  -0.00002  -0.00017   0.00013  -0.00004   2.04884
   R124       2.65527  -0.00017  -0.00010  -0.00011  -0.00020   2.65507
   R125       2.05220   0.00001   0.00003   0.00000   0.00003   2.05223
   R126       2.62975  -0.00005  -0.00015   0.00005  -0.00010   2.62965
   R127       2.05131   0.00001  -0.00005   0.00004  -0.00000   2.05131
   R128       2.05255   0.00001   0.00002   0.00002   0.00005   2.05260
   R129       2.62964  -0.00004  -0.00009   0.00003  -0.00006   2.62958
   R130       2.05254   0.00001   0.00002   0.00003   0.00005   2.05258
   R131       2.65506  -0.00015  -0.00001  -0.00013  -0.00015   2.65492
   R132       2.05129   0.00001  -0.00004   0.00005   0.00000   2.05129
   R133       2.63286   0.00002  -0.00001   0.00007   0.00006   2.63292
   R134       2.05207   0.00001   0.00004   0.00000   0.00004   2.05210
   R135       2.04868  -0.00001  -0.00005   0.00005   0.00000   2.04868
   R136       2.63294   0.00002  -0.00001   0.00007   0.00006   2.63301
   R137       2.04875  -0.00001  -0.00005   0.00002  -0.00002   2.04872
   R138       2.65499  -0.00016  -0.00001  -0.00014  -0.00015   2.65484
   R139       2.05216   0.00001   0.00004  -0.00001   0.00003   2.05220
   R140       2.62980  -0.00004  -0.00008   0.00002  -0.00007   2.62973
   R141       2.05132   0.00001  -0.00004   0.00005   0.00000   2.05132
   R142       2.05253   0.00001   0.00002   0.00003   0.00005   2.05258
   R143       3.41907   0.00004  -0.00248   0.00376   0.00109   3.42016
    A1        2.06417   0.00001   0.00008  -0.00008   0.00001   2.06417
    A2        2.10899  -0.00002   0.00000   0.00003   0.00003   2.10902
    A3        2.11002   0.00001  -0.00009   0.00005  -0.00004   2.10999
    A4        2.13798  -0.00000   0.00006  -0.00016  -0.00010   2.13788
    A5        2.05391   0.00001  -0.00022   0.00038   0.00016   2.05406
    A6        2.09091  -0.00001   0.00017  -0.00022  -0.00005   2.09086
    A7        2.05879  -0.00000  -0.00029   0.00042   0.00013   2.05892
    A8        2.13538  -0.00002   0.00060  -0.00077  -0.00017   2.13521
    A9        2.08891   0.00002  -0.00028   0.00034   0.00007   2.08898
   A10        2.09113   0.00000   0.00019  -0.00023  -0.00004   2.09109
   A11        2.10001   0.00000   0.00042  -0.00026   0.00015   2.10015
   A12        2.09203  -0.00001  -0.00060   0.00049  -0.00010   2.09193
   A13        2.11097  -0.00001   0.00006  -0.00009  -0.00003   2.11094
   A14        2.06367  -0.00004  -0.00027  -0.00019  -0.00046   2.06322
   A15        2.10846   0.00005   0.00022   0.00028   0.00050   2.10895
   A16        2.10331  -0.00000  -0.00010   0.00014   0.00004   2.10335
   A17        2.09022  -0.00004  -0.00040  -0.00008  -0.00049   2.08973
   A18        2.08922   0.00004   0.00052  -0.00006   0.00046   2.08969
   A19        2.10616  -0.00004   0.00000   0.00005   0.00005   2.10621
   A20        2.11640   0.00007   0.00021  -0.00037  -0.00016   2.11623
   A21        2.06063  -0.00002  -0.00022   0.00032   0.00010   2.06073
   A22        2.08102  -0.00004   0.00062  -0.00058   0.00002   2.08104
   A23        2.07998   0.00014  -0.00005   0.00004  -0.00001   2.07997
   A24        2.12218  -0.00010  -0.00058   0.00055  -0.00002   2.12216
   A25        2.10233   0.00014  -0.00083   0.00084   0.00005   2.10238
   A26        2.13574  -0.00020  -0.00008  -0.00020  -0.00020   2.13553
   A27        2.04509   0.00006   0.00089  -0.00064   0.00016   2.04525
   A28        2.08689  -0.00007   0.00034  -0.00035  -0.00002   2.08687
   A29        2.06500   0.00009  -0.00006   0.00007   0.00003   2.06503
   A30        2.13128  -0.00001  -0.00029   0.00028  -0.00000   2.13127
   A31        2.14323  -0.00002   0.00014  -0.00016  -0.00002   2.14321
   A32        2.08548  -0.00002   0.00001  -0.00024  -0.00024   2.08525
   A33        2.05406   0.00005  -0.00018   0.00043   0.00025   2.05431
   A34        2.05966   0.00001  -0.00002  -0.00007  -0.00009   2.05957
   A35        2.11038  -0.00001  -0.00023   0.00026   0.00002   2.11040
   A36        2.11315   0.00000   0.00025  -0.00018   0.00006   2.11321
   A37        2.11090  -0.00002  -0.00021   0.00021  -0.00001   2.11089
   A38        2.09690  -0.00003  -0.00012  -0.00028  -0.00040   2.09650
   A39        2.07499   0.00005   0.00033   0.00007   0.00040   2.07540
   A40        2.11192  -0.00009   0.00036  -0.00033   0.00005   2.11197
   A41        2.10604   0.00002  -0.00015   0.00009  -0.00003   2.10602
   A42        2.06522   0.00007  -0.00029   0.00024  -0.00002   2.06520
   A43        2.13255   0.00015  -0.00134   0.00126   0.00020   2.13275
   A44        2.16488   0.00001   0.00209  -0.00069   0.00145   2.16633
   A45        2.27086  -0.00001   0.00261  -0.00100   0.00207   2.27293
   A46        1.98414  -0.00015  -0.00084  -0.00051  -0.00123   1.98291
   A47        1.87673  -0.00013  -0.00183  -0.00007  -0.00147   1.87525
   A48        2.06314  -0.00020   0.00087  -0.00109  -0.00033   2.06281
   A49        2.12274   0.00019   0.00030   0.00063   0.00101   2.12376
   A50        2.09730   0.00001  -0.00118   0.00046  -0.00069   2.09661
   A51        2.10918   0.00004  -0.00008   0.00037   0.00027   2.10945
   A52        2.08194   0.00003   0.00054  -0.00014   0.00040   2.08234
   A53        2.09193  -0.00007  -0.00044  -0.00023  -0.00064   2.09129
   A54        2.08458  -0.00003  -0.00008  -0.00013  -0.00016   2.08442
   A55        2.07124  -0.00000   0.00072  -0.00036   0.00035   2.07159
   A56        2.07383  -0.00001   0.00010  -0.00009   0.00004   2.07387
   A57        2.13809   0.00001  -0.00087   0.00045  -0.00039   2.13770
   A58        2.13941   0.00003   0.00014   0.00028   0.00042   2.13983
   A59        2.07132   0.00000  -0.00026  -0.00016  -0.00042   2.07089
   A60        2.07213  -0.00003   0.00012  -0.00013  -0.00000   2.07213
   A61        2.06719  -0.00010  -0.00064  -0.00031  -0.00094   2.06625
   A62        2.09909   0.00006   0.00063  -0.00017   0.00046   2.09955
   A63        2.11691   0.00003   0.00000   0.00048   0.00048   2.11739
   A64        2.10926   0.00003   0.00042   0.00006   0.00048   2.10974
   A65        2.04804  -0.00005  -0.00062  -0.00029  -0.00091   2.04713
   A66        2.12547   0.00002   0.00020   0.00023   0.00043   2.12590
   A67        2.11151  -0.00000   0.00026  -0.00021   0.00005   2.11156
   A68        2.11571  -0.00001   0.00019  -0.00001   0.00019   2.11590
   A69        2.05596   0.00001  -0.00045   0.00022  -0.00023   2.05572
   A70        2.10930   0.00001   0.00045  -0.00021   0.00024   2.10954
   A71        2.11747  -0.00004  -0.00025   0.00009  -0.00016   2.11732
   A72        2.05641   0.00003  -0.00020   0.00012  -0.00008   2.05633
   A73        2.11381   0.00001   0.00051  -0.00024   0.00026   2.11407
   A74        2.11201   0.00000  -0.00004   0.00032   0.00028   2.11229
   A75        2.05736  -0.00001  -0.00047  -0.00007  -0.00054   2.05682
   A76        2.11629  -0.00002   0.00011  -0.00003   0.00008   2.11638
   A77        2.08816  -0.00001  -0.00031   0.00003  -0.00028   2.08789
   A78        2.07780   0.00004   0.00020   0.00001   0.00021   2.07801
   A79        2.09909  -0.00000   0.00006  -0.00015  -0.00008   2.09901
   A80        2.09776   0.00005  -0.00001   0.00024   0.00024   2.09799
   A81        2.08611  -0.00004  -0.00007  -0.00010  -0.00017   2.08595
   A82        2.07897   0.00003  -0.00015   0.00022   0.00007   2.07904
   A83        2.10254  -0.00001   0.00010  -0.00008   0.00002   2.10256
   A84        2.10167  -0.00002   0.00005  -0.00014  -0.00009   2.10158
   A85        2.09847  -0.00001   0.00006  -0.00014  -0.00007   2.09840
   A86        2.08551  -0.00004  -0.00007  -0.00012  -0.00019   2.08532
   A87        2.09890   0.00005  -0.00002   0.00026   0.00024   2.09913
   A88        2.11694  -0.00002   0.00010  -0.00003   0.00007   2.11701
   A89        2.08820  -0.00003  -0.00041   0.00007  -0.00034   2.08785
   A90        2.07687   0.00004   0.00032  -0.00002   0.00030   2.07717
   A91        2.11695  -0.00001   0.00026  -0.00010   0.00016   2.11711
   A92        2.08759  -0.00001  -0.00026   0.00002  -0.00024   2.08736
   A93        2.07769   0.00003  -0.00002   0.00010   0.00008   2.07777
   A94        2.09864   0.00001   0.00016  -0.00014   0.00002   2.09866
   A95        2.09892   0.00003  -0.00021   0.00025   0.00004   2.09896
   A96        2.08539  -0.00004   0.00002  -0.00011  -0.00008   2.08531
   A97        2.07907   0.00000  -0.00037   0.00024  -0.00013   2.07894
   A98        2.10220  -0.00001   0.00014  -0.00009   0.00005   2.10224
   A99        2.10192   0.00001   0.00023  -0.00015   0.00008   2.10200
   A100       2.09855  -0.00000   0.00016  -0.00016   0.00001   2.09855
   A101       2.08529  -0.00004  -0.00002  -0.00008  -0.00009   2.08519
   A102       2.09907   0.00004  -0.00017   0.00024   0.00006   2.09913
   A103       2.11703  -0.00001   0.00024  -0.00007   0.00017   2.11720
   A104       2.08720  -0.00002  -0.00025   0.00002  -0.00023   2.08697
   A105       2.07790   0.00003   0.00000   0.00007   0.00007   2.07797
   A106       2.11581  -0.00002   0.00024   0.00007   0.00031   2.11611
   A107       2.09099  -0.00003   0.00002  -0.00008  -0.00005   2.09094
   A108       2.07541   0.00005  -0.00032   0.00004  -0.00028   2.07513
   A109       2.09916  -0.00001   0.00007  -0.00013  -0.00006   2.09910
   A110       2.09756   0.00006  -0.00006   0.00036   0.00031   2.09786
   A111       2.08622  -0.00006  -0.00003  -0.00022  -0.00025   2.08597
   A112       2.07866   0.00005  -0.00014   0.00019   0.00005   2.07871
   A113       2.10245  -0.00002   0.00021  -0.00018   0.00003   2.10247
   A114       2.10207  -0.00003  -0.00006  -0.00001  -0.00007   2.10200
   A115       2.09878  -0.00001   0.00004  -0.00012  -0.00007   2.09871
   A116       2.08584  -0.00006  -0.00007  -0.00021  -0.00028   2.08556
   A117       2.09822   0.00007   0.00001   0.00034   0.00035   2.09857
   A118       2.11641  -0.00001   0.00027   0.00005   0.00032   2.11673
   A119       2.08708  -0.00004  -0.00005  -0.00000  -0.00006   2.08702
   A120       2.07874   0.00005  -0.00027  -0.00001  -0.00028   2.07846
   A121       2.19580   0.00007   0.00014   0.00003   0.00017   2.19597
   A122       2.19620   0.00005   0.00007   0.00011   0.00018   2.19639
   A123       1.89118  -0.00012  -0.00021  -0.00014  -0.00036   1.89083
   A124       2.19625   0.00006   0.00001   0.00015   0.00016   2.19641
   A125       2.19602   0.00005   0.00013  -0.00001   0.00012   2.19614
   A126       1.89091  -0.00011  -0.00014  -0.00014  -0.00028   1.89063
   A127       2.19597   0.00004  -0.00012   0.00020   0.00008   2.19605
   A128       2.19639   0.00005   0.00010   0.00000   0.00011   2.19650
   A129       1.89082  -0.00008   0.00002  -0.00020  -0.00019   1.89064
   A130       1.90060   0.00002   0.00006  -0.00002   0.00005   1.90065
   A131       2.26096  -0.00004   0.00011  -0.00021  -0.00009   2.26087
   A132       2.12104   0.00002  -0.00021   0.00021  -0.00000   2.12104
   A133       1.86629   0.00004   0.00000   0.00009   0.00009   1.86638
   A134       2.08706  -0.00002   0.00006  -0.00007  -0.00000   2.08706
   A135       2.32976  -0.00002  -0.00009  -0.00001  -0.00010   2.32966
   A136       1.86617   0.00004   0.00002   0.00006   0.00009   1.86625
   A137       2.32997  -0.00002  -0.00011   0.00001  -0.00010   2.32987
   A138       2.08697  -0.00002   0.00006  -0.00006  -0.00000   2.08697
   A139       1.90081   0.00002   0.00005   0.00000   0.00005   1.90086
   A140       2.26123  -0.00004   0.00015  -0.00024  -0.00009   2.26114
   A141       2.12054   0.00002  -0.00023   0.00023   0.00000   2.12054
   A142       1.90083   0.00001   0.00005  -0.00001   0.00004   1.90088
   A143       2.26074  -0.00002   0.00028  -0.00026   0.00002   2.26076
   A144       2.12108   0.00001  -0.00038   0.00026  -0.00013   2.12095
   A145       1.86597   0.00005   0.00005   0.00009   0.00014   1.86610
   A146       2.08668  -0.00001   0.00016  -0.00006   0.00010   2.08678
   A147       2.33046  -0.00004  -0.00023  -0.00002  -0.00025   2.33021
   A148       1.86603   0.00005   0.00005   0.00008   0.00013   1.86616
   A149       2.33038  -0.00004  -0.00023  -0.00002  -0.00024   2.33013
   A150       2.08671  -0.00001   0.00015  -0.00005   0.00010   2.08681
   A151       1.90076   0.00001   0.00006  -0.00002   0.00004   1.90081
   A152       2.26072  -0.00003   0.00025  -0.00022   0.00003   2.26075
   A153       2.12117   0.00002  -0.00035   0.00022  -0.00013   2.12104
   A154       1.90056   0.00002   0.00005   0.00002   0.00007   1.90062
   A155       2.26140  -0.00007  -0.00020  -0.00011  -0.00031   2.26109
   A156       2.12057   0.00004   0.00014   0.00009   0.00023   2.12080
   A157       1.86645   0.00002  -0.00005   0.00007   0.00002   1.86648
   A158       2.08719  -0.00004  -0.00016  -0.00004  -0.00019   2.08699
   A159       2.32946   0.00002   0.00018  -0.00003   0.00016   2.32962
   A160       1.86651   0.00002  -0.00002   0.00004   0.00002   1.86653
   A161       2.32933   0.00002   0.00013   0.00003   0.00016   2.32949
   A162       2.08726  -0.00004  -0.00014  -0.00006  -0.00019   2.08707
   A163       1.90043   0.00002   0.00000   0.00008   0.00008   1.90051
   A164       2.26141  -0.00007  -0.00012  -0.00023  -0.00034   2.26107
   A165       2.12070   0.00005   0.00010   0.00015   0.00025   2.12095
   A166       2.07989   0.00002   0.00016  -0.00011   0.00005   2.07994
   A167       2.10012  -0.00002  -0.00046   0.00020  -0.00026   2.09986
   A168       2.10316   0.00000   0.00030  -0.00009   0.00021   2.10337
   A169       2.10376   0.00000  -0.00022   0.00016  -0.00006   2.10370
   A170       2.09192   0.00001   0.00043  -0.00025   0.00018   2.09210
   A171       2.08748  -0.00001  -0.00022   0.00010  -0.00012   2.08736
   A172       2.11971  -0.00002   0.00019  -0.00013   0.00005   2.11976
   A173       2.08524   0.00000  -0.00003   0.00005   0.00003   2.08527
   A174       2.07823   0.00002  -0.00016   0.00008  -0.00008   2.07815
   A175       2.05533  -0.00000   0.00003  -0.00010  -0.00006   2.05526
   A176       2.11839  -0.00002   0.00005  -0.00010  -0.00005   2.11833
   A177       2.10944   0.00002  -0.00009   0.00020   0.00011   2.10955
   A178       2.05471  -0.00000   0.00002  -0.00007  -0.00005   2.05466
   A179       2.11967  -0.00003   0.00005  -0.00012  -0.00007   2.11960
   A180       2.10878   0.00003  -0.00009   0.00020   0.00011   2.10889
   A181       2.11997  -0.00002   0.00018  -0.00014   0.00004   2.12002
   A182       2.07769   0.00002  -0.00017   0.00009  -0.00008   2.07761
   A183       2.08552   0.00000  -0.00002   0.00006   0.00004   2.08555
   A184       2.10396   0.00000  -0.00022   0.00016  -0.00006   2.10390
   A185       2.08726  -0.00001  -0.00021   0.00009  -0.00012   2.08714
   A186       2.09195   0.00001   0.00043  -0.00025   0.00018   2.09213
   A187       2.07944   0.00002   0.00015  -0.00010   0.00006   2.07950
   A188       2.10034  -0.00002  -0.00046   0.00019  -0.00027   2.10007
   A189       2.10339   0.00000   0.00031  -0.00010   0.00021   2.10360
   A190       2.07968   0.00002   0.00016  -0.00011   0.00005   2.07973
   A191       2.10032  -0.00002  -0.00048   0.00018  -0.00029   2.10003
   A192       2.10317   0.00000   0.00032  -0.00008   0.00024   2.10342
   A193       2.10400  -0.00000  -0.00027   0.00016  -0.00011   2.10389
   A194       2.09185   0.00001   0.00044  -0.00024   0.00020   2.09205
   A195       2.08732  -0.00001  -0.00018   0.00009  -0.00009   2.08723
   A196       2.11981  -0.00002   0.00021  -0.00013   0.00008   2.11989
   A197       2.08522   0.00000  -0.00000   0.00006   0.00006   2.08527
   A198       2.07815   0.00001  -0.00021   0.00007  -0.00013   2.07802
   A199       2.05484  -0.00000   0.00009  -0.00009  -0.00000   2.05484
   A200       2.11859  -0.00001   0.00014  -0.00009   0.00006   2.11865
   A201       2.10973   0.00002  -0.00024   0.00018  -0.00006   2.10967
   A202       2.05500  -0.00000   0.00010  -0.00012  -0.00001   2.05499
   A203       2.11827  -0.00001   0.00014  -0.00009   0.00006   2.11833
   A204       2.10988   0.00001  -0.00026   0.00021  -0.00005   2.10983
   A205       2.11970  -0.00002   0.00021  -0.00012   0.00009   2.11979
   A206       2.07835   0.00001  -0.00020   0.00005  -0.00014   2.07821
   A207       2.08512   0.00000  -0.00002   0.00007   0.00006   2.08518
   A208       2.10398  -0.00000  -0.00027   0.00016  -0.00011   2.10387
   A209       2.08730  -0.00001  -0.00017   0.00008  -0.00009   2.08721
   A210       2.09189   0.00001   0.00044  -0.00024   0.00020   2.09208
   A211       2.07976   0.00002   0.00017  -0.00012   0.00004   2.07981
   A212       2.10030  -0.00002  -0.00047   0.00018  -0.00029   2.10001
   A213       2.10311   0.00000   0.00031  -0.00006   0.00025   2.10336
   A214       2.07951   0.00002   0.00013  -0.00007   0.00006   2.07957
   A215       2.10025  -0.00001  -0.00044   0.00022  -0.00022   2.10003
   A216       2.10341  -0.00000   0.00031  -0.00015   0.00016   2.10357
   A217       2.10381   0.00001  -0.00011   0.00015   0.00004   2.10385
   A218       2.09200   0.00001   0.00038  -0.00024   0.00013   2.09214
   A219       2.08735  -0.00002  -0.00027   0.00009  -0.00018   2.08718
   A220       2.11994  -0.00003   0.00015  -0.00017  -0.00001   2.11992
   A221       2.08554  -0.00000  -0.00002   0.00001  -0.00001   2.08553
   A222       2.07771   0.00003  -0.00014   0.00016   0.00002   2.07773
   A223       2.05495  -0.00001  -0.00013  -0.00002  -0.00015   2.05480
   A224       2.11982  -0.00004  -0.00006  -0.00016  -0.00022   2.11960
   A225       2.10839   0.00005   0.00018   0.00018   0.00037   2.10876
   A226       2.05513  -0.00001  -0.00014   0.00001  -0.00013   2.05500
   A227       2.11924  -0.00004  -0.00008  -0.00012  -0.00020   2.11904
   A228       2.10878   0.00004   0.00022   0.00011   0.00033   2.10911
   A229       2.11985  -0.00003   0.00014  -0.00016  -0.00002   2.11983
   A230       2.07789   0.00003  -0.00014   0.00017   0.00003   2.07792
   A231       2.08544  -0.00000  -0.00001  -0.00000  -0.00001   2.08543
   A232       2.10373   0.00001  -0.00011   0.00015   0.00004   2.10378
   A233       2.08748  -0.00002  -0.00027   0.00010  -0.00018   2.08731
   A234       2.09195   0.00000   0.00038  -0.00025   0.00013   2.09208
   A235       2.07970   0.00002   0.00013  -0.00006   0.00007   2.07976
   A236       2.10013  -0.00001  -0.00044   0.00023  -0.00021   2.09993
   A237       2.10334  -0.00001   0.00031  -0.00017   0.00014   2.10348
    D1       -0.00603   0.00001   0.00012   0.00041   0.00053  -0.00550
    D2        3.10533   0.00002   0.00074   0.00017   0.00091   3.10624
    D3        3.13761   0.00001  -0.00037   0.00049   0.00013   3.13774
    D4       -0.03422   0.00001   0.00026   0.00025   0.00051  -0.03370
    D5        0.00488  -0.00002  -0.00083  -0.00042  -0.00125   0.00363
    D6        3.11478  -0.00001  -0.00006  -0.00062  -0.00068   3.11410
    D7       -3.13876  -0.00001  -0.00035  -0.00051  -0.00085  -3.13961
    D8       -0.02886  -0.00001   0.00043  -0.00071  -0.00028  -0.02914
    D9        2.49862  -0.00002  -0.00070  -0.00032  -0.00102   2.49761
   D10       -0.64386  -0.00002  -0.00083  -0.00023  -0.00106  -0.64492
   D11       -0.64087  -0.00002  -0.00120  -0.00023  -0.00143  -0.64229
   D12        2.49983  -0.00002  -0.00132  -0.00014  -0.00146   2.49837
   D13        0.00136   0.00001   0.00120  -0.00004   0.00116   0.00251
   D14        3.12724   0.00005   0.00403  -0.00007   0.00397   3.13121
   D15       -3.10938   0.00001   0.00056   0.00019   0.00076  -3.10862
   D16        0.01650   0.00004   0.00340   0.00016   0.00357   0.02007
   D17        0.00450  -0.00003  -0.00181  -0.00032  -0.00213   0.00237
   D18       -3.13069  -0.00004  -0.00314  -0.00037  -0.00351  -3.13421
   D19       -3.12182  -0.00006  -0.00457  -0.00027  -0.00486  -3.12668
   D20        0.02618  -0.00007  -0.00590  -0.00033  -0.00624   0.01993
   D21        3.12907   0.00001  -0.00304   0.00121  -0.00184   3.12722
   D22       -0.01062   0.00003  -0.00019   0.00099   0.00080  -0.00982
   D23       -0.02850   0.00004  -0.00016   0.00117   0.00101  -0.02748
   D24        3.11500   0.00006   0.00269   0.00096   0.00366   3.11866
   D25       -0.00565   0.00002   0.00115   0.00031   0.00146  -0.00418
   D26       -3.13356   0.00002   0.00035   0.00045   0.00080  -3.13276
   D27        3.12958   0.00003   0.00248   0.00036   0.00284   3.13241
   D28        0.00166   0.00002   0.00168   0.00050   0.00218   0.00384
   D29        0.00873   0.00001   0.00358  -0.00088   0.00269   0.01143
   D30       -3.13871   0.00001   0.00415  -0.00057   0.00355  -3.13517
   D31       -3.12645   0.00000   0.00225  -0.00093   0.00131  -3.12514
   D32        0.00928   0.00001   0.00282  -0.00062   0.00217   0.01145
   D33        0.00085   0.00000   0.00020   0.00007   0.00027   0.00112
   D34       -3.10906  -0.00001  -0.00056   0.00027  -0.00029  -3.10935
   D35        3.12841   0.00001   0.00102  -0.00008   0.00094   3.12936
   D36        0.01850   0.00000   0.00026   0.00013   0.00039   0.01889
   D37       -0.00467   0.00005   0.00848  -0.00078   0.00771   0.00304
   D38        3.13139   0.00006   0.00743  -0.00047   0.00697   3.13835
   D39        3.13508   0.00003   0.00572  -0.00057   0.00515   3.14023
   D40       -0.01205   0.00004   0.00467  -0.00026   0.00440  -0.00764
   D41       -3.13430  -0.00007  -0.00594   0.00018  -0.00577  -3.14007
   D42        0.03883  -0.00007  -0.00491  -0.00071  -0.00562   0.03321
   D43        0.00915  -0.00005  -0.00316  -0.00003  -0.00319   0.00596
   D44       -3.10091  -0.00005  -0.00213  -0.00092  -0.00304  -3.10395
   D45        0.04000  -0.00011  -0.01085  -0.00042  -0.01129   0.02871
   D46       -3.10977  -0.00007  -0.00939  -0.00063  -0.01001  -3.11978
   D47       -3.09592  -0.00012  -0.00977  -0.00074  -0.01052  -3.10644
   D48        0.03749  -0.00007  -0.00831  -0.00095  -0.00924   0.02825
   D49        0.00746   0.00000  -0.00260   0.00040  -0.00220   0.00526
   D50       -3.13439  -0.00002   0.00079  -0.00048   0.00031  -3.13409
   D51       -3.13981   0.00001  -0.00367   0.00072  -0.00296   3.14042
   D52        0.00153  -0.00001  -0.00028  -0.00017  -0.00046   0.00107
   D53       -0.04232   0.00008   0.00491   0.00125   0.00617  -0.03615
   D54        3.10536   0.00008   0.00431   0.00093   0.00528   3.11064
   D55        3.10703   0.00004   0.00350   0.00145   0.00496   3.11199
   D56       -0.02847   0.00004   0.00291   0.00113   0.00407  -0.02440
   D57       -3.11140  -0.00005  -0.00172  -0.00101  -0.00277  -3.11416
   D58        0.09517  -0.00014  -0.00948  -0.00218  -0.01165   0.08352
   D59        0.12501  -0.00024  -0.01232  -0.00390  -0.01603   0.10898
   D60        0.02227  -0.00001  -0.00030  -0.00121  -0.00153   0.02074
   D61       -3.05435  -0.00010  -0.00806  -0.00238  -0.01041  -3.06476
   D62       -3.02451  -0.00020  -0.01090  -0.00410  -0.01479  -3.03930
   D63       -3.12906  -0.00002  -0.00267  -0.00032  -0.00297  -3.13203
   D64        0.00652  -0.00001  -0.00208  -0.00000  -0.00210   0.00443
   D65       -0.00123   0.00002  -0.00054   0.00019  -0.00035  -0.00158
   D66       -3.14149   0.00002  -0.00059   0.00025  -0.00034   3.14136
   D67        3.10936   0.00002  -0.00155   0.00105  -0.00051   3.10886
   D68       -0.03090   0.00002  -0.00160   0.00111  -0.00049  -0.03139
   D69       -0.00383   0.00002   0.00277  -0.00005   0.00273  -0.00111
   D70        3.10718   0.00004   0.00269   0.00009   0.00278   3.10996
   D71        3.13643   0.00003   0.00282  -0.00011   0.00271   3.13914
   D72       -0.03574   0.00004   0.00274   0.00003   0.00277  -0.03298
   D73        2.52242  -0.00002  -0.00134  -0.00006  -0.00140   2.52102
   D74       -0.62012  -0.00002  -0.00186   0.00001  -0.00185  -0.62197
   D75       -0.61780  -0.00002  -0.00139   0.00000  -0.00139  -0.61919
   D76        2.52284  -0.00002  -0.00191   0.00007  -0.00183   2.52101
   D77        0.00065  -0.00004  -0.00121  -0.00024  -0.00145  -0.00080
   D78       -3.14069  -0.00002  -0.00450   0.00062  -0.00390   3.13860
   D79       -3.11075  -0.00005  -0.00112  -0.00037  -0.00149  -3.11224
   D80        0.03110  -0.00003  -0.00442   0.00049  -0.00394   0.02716
   D81        0.00379  -0.00004  -0.00281   0.00025  -0.00260   0.00119
   D82       -3.14134  -0.00005  -0.00351   0.00067  -0.00291   3.13894
   D83        3.08660   0.00005   0.00420   0.00129   0.00552   3.09212
   D84       -0.05853   0.00004   0.00350   0.00170   0.00521  -0.05332
   D85        3.06938   0.00012   0.00544   0.00250   0.00817   3.07755
   D86       -0.07575   0.00011   0.00474   0.00291   0.00786  -0.06789
   D87       -0.02690   0.00007   0.00372   0.00091   0.00467  -0.02223
   D88        3.13213   0.00005   0.00241   0.00056   0.00297   3.13510
   D89        3.11817   0.00008   0.00441   0.00051   0.00497   3.12315
   D90       -0.00598   0.00006   0.00310   0.00016   0.00327  -0.00270
   D91       -3.13097  -0.00002  -0.00125  -0.00054  -0.00180  -3.13277
   D92        0.00336  -0.00001  -0.00238   0.00028  -0.00210   0.00126
   D93        0.00701  -0.00003  -0.00197  -0.00012  -0.00211   0.00490
   D94        3.14135  -0.00002  -0.00309   0.00070  -0.00241   3.13894
   D95        0.02125  -0.00004  -0.00129  -0.00100  -0.00229   0.01896
   D96       -3.13789  -0.00002   0.00004  -0.00065  -0.00057  -3.13846
   D97       -0.00043  -0.00003  -0.00165  -0.00016  -0.00182  -0.00226
   D98        3.11106  -0.00003  -0.00192   0.00005  -0.00186   3.10920
   D99       -3.12476  -0.00005  -0.00295  -0.00052  -0.00352  -3.12827
   D100      -0.01327  -0.00005  -0.00322  -0.00030  -0.00355  -0.01682
   D101      -0.00181  -0.00002  -0.00061   0.00010  -0.00050  -0.00231
   D102       3.11185  -0.00001  -0.00026  -0.00037  -0.00062   3.11124
   D103      -3.13586  -0.00003   0.00056  -0.00075  -0.00020  -3.13606
   D104      -0.02220  -0.00002   0.00090  -0.00121  -0.00031  -0.02251
   D105      -0.00447   0.00004   0.00203  -0.00010   0.00193  -0.00254
   D106       3.13610   0.00004   0.00067   0.00087   0.00154   3.13764
   D107      -3.11812   0.00004   0.00168   0.00036   0.00206  -3.11607
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   D111      -3.13505  -0.00002   0.00054  -0.00085  -0.00032  -3.13536
   D112       0.03800  -0.00002   0.00083  -0.00107  -0.00025   0.03775
   D113       0.62732  -0.00008  -0.00980  -0.00187  -0.01167   0.61566
   D114      -2.51707  -0.00009  -0.00993  -0.00169  -0.01161  -2.52868
   D115      -2.51532  -0.00008  -0.01120  -0.00087  -0.01208  -2.52740
   D116       0.62347  -0.00009  -0.01132  -0.00069  -0.01202   0.61146
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   D119       0.01149   0.00001   0.00003   0.00008   0.00012   0.01161
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   D121      -3.13616   0.00001   0.00017  -0.00001   0.00016  -3.13600
   D122      -0.04440   0.00002   0.00003   0.00040   0.00044  -0.04396
   D123       0.00457   0.00001   0.00005   0.00007   0.00012   0.00469
   D124       3.09633   0.00002  -0.00009   0.00049   0.00040   3.09673
   D125      -3.13003   0.00000  -0.00062   0.00032  -0.00030  -3.13033
   D126      -0.03513   0.00001  -0.00035   0.00047   0.00012  -0.03501
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   D130      -0.04655   0.00002   0.00084   0.00018   0.00102  -0.04553
   D131       0.00531   0.00000   0.00011  -0.00006   0.00005   0.00536
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   D133       3.12620  -0.00001   0.00031  -0.00035  -0.00004   3.12616
   D134       0.03260  -0.00001   0.00176  -0.00117   0.00060   0.03320
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   D144       0.00465  -0.00002  -0.00079  -0.00046  -0.00125   0.00339
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   D152       0.03463   0.00001   0.00049   0.00027   0.00076   0.03538
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   D154      -2.23586   0.00003  -0.00417   0.00147  -0.00270  -2.23856
   D155      -2.23213   0.00002  -0.00464   0.00127  -0.00337  -2.23550
   D156       0.90796   0.00003  -0.00399   0.00130  -0.00269   0.90527
   D157      -0.01651  -0.00001   0.00002  -0.00015  -0.00013  -0.01664
   D158      -3.10566  -0.00002  -0.00018  -0.00046  -0.00064  -3.10630
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   D162       3.10096  -0.00002  -0.00114  -0.00011  -0.00125   3.09971
   D163      -3.11196  -0.00002   0.00023  -0.00066  -0.00044  -3.11240
   D164       0.00637  -0.00003  -0.00088  -0.00057  -0.00145   0.00492
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   D167      -3.11153   0.00001   0.00105   0.00007   0.00112  -3.11041
   D168       0.03135   0.00001   0.00111  -0.00003   0.00108   0.03242
   D169       0.00884   0.00001   0.00014  -0.00002   0.00012   0.00896
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   D172       0.03311   0.00001   0.00101   0.00014   0.00114   0.03425
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   D174       0.92200   0.00000  -0.00750   0.00119  -0.00631   0.91569
   D175       0.92392   0.00000  -0.00732   0.00109  -0.00623   0.91769
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   D177      -0.01474  -0.00001  -0.00014  -0.00010  -0.00024  -0.01498
   D178      -3.10676  -0.00002   0.00000  -0.00051  -0.00051  -3.10727
   D179       3.10110  -0.00002  -0.00106  -0.00017  -0.00123   3.09987
   D180       0.00908  -0.00003  -0.00092  -0.00058  -0.00150   0.00758
   D181       0.01951   0.00001  -0.00054   0.00038  -0.00015   0.01935
   D182      -3.09803  -0.00001  -0.00006  -0.00021  -0.00027  -3.09830
   D183       3.11353   0.00001  -0.00197   0.00120  -0.00078   3.11275
   D184      -0.00401  -0.00001  -0.00150   0.00060  -0.00089  -0.00490
   D185      -0.00877  -0.00000   0.00019   0.00007   0.00026  -0.00852
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   D187       3.10892   0.00001  -0.00029   0.00067   0.00038   3.10930
   D188      -0.03519   0.00002  -0.00013   0.00046   0.00033  -0.03486
   D189      -0.00831  -0.00001   0.00026  -0.00036  -0.00010  -0.00841
   D190       3.10500   0.00001   0.00005   0.00008   0.00014   3.10514
   D191       3.13580  -0.00001   0.00010  -0.00016  -0.00005   3.13574
   D192      -0.03407   0.00001  -0.00011   0.00029   0.00018  -0.03389
   D193       2.24202  -0.00004   0.00084  -0.00085  -0.00001   2.24201
   D194      -0.90224  -0.00004   0.00131  -0.00059   0.00072  -0.90151
   D195      -0.90213  -0.00004   0.00100  -0.00106  -0.00006  -0.90218
   D196       2.23680  -0.00004   0.00147  -0.00080   0.00068   2.23748
   D197       0.01513   0.00001  -0.00037   0.00021  -0.00015   0.01498
   D198       3.10963   0.00001  -0.00161   0.00092  -0.00068   3.10895
   D199      -3.09798  -0.00001  -0.00017  -0.00022  -0.00038  -3.09836
   D200      -0.00348  -0.00001  -0.00140   0.00048  -0.00092  -0.00439
   D201       3.14016  -0.00000   0.00006  -0.00013  -0.00007   3.14009
   D202       0.03387   0.00002   0.00161   0.00030   0.00192   0.03578
   D203      -0.00090   0.00000   0.00016  -0.00013   0.00003  -0.00087
   D204      -3.10719   0.00002   0.00171   0.00031   0.00202  -3.10518
   D205       3.14118   0.00000   0.00010   0.00006   0.00016   3.14134
   D206       0.03483   0.00002   0.00166   0.00039   0.00205   0.03688
   D207      -0.00095   0.00000   0.00001   0.00005   0.00006  -0.00089
   D208      -3.10729   0.00002   0.00156   0.00039   0.00195  -3.10535
   D209       3.13941   0.00000   0.00052   0.00003   0.00055   3.13996
   D210       0.03487   0.00002   0.00167   0.00035   0.00201   0.03689
   D211      -0.00090  -0.00000  -0.00004   0.00001  -0.00003  -0.00093
   D212      -3.10543   0.00002   0.00111   0.00033   0.00143  -3.10400
   D213      -3.14128  -0.00000  -0.00037  -0.00009  -0.00046   3.14145
   D214       0.03802   0.00001   0.00044   0.00025   0.00070   0.03872
   D215      -0.00097   0.00000   0.00019  -0.00006   0.00012  -0.00085
   D216      -3.10486   0.00002   0.00100   0.00028   0.00128  -3.10358
   D217       3.14065   0.00000   0.00032   0.00010   0.00042   3.14107
   D218      -0.04008   0.00000  -0.00002  -0.00003  -0.00005  -0.04013
   D219       0.00133  -0.00000  -0.00008  -0.00013  -0.00021   0.00112
   D220       3.10379  -0.00000  -0.00043  -0.00025  -0.00067   3.10311
   D221      -3.13875  -0.00000  -0.00049  -0.00001  -0.00050  -3.13925
   D222      -0.03591  -0.00001  -0.00102  -0.00007  -0.00108  -0.03700
   D223       0.00056   0.00000  -0.00008   0.00021   0.00013   0.00069
   D224       3.10341  -0.00000  -0.00062   0.00016  -0.00046   3.10295
   D225       0.00235   0.00000  -0.00012   0.00005  -0.00007   0.00228
   D226      -3.12748  -0.00000   0.00110  -0.00039   0.00072  -3.12676
   D227       3.11042  -0.00002  -0.00114  -0.00025  -0.00139   3.10903
   D228      -0.01941  -0.00002   0.00008  -0.00069  -0.00061  -0.02002
   D229       3.11942  -0.00000  -0.00109   0.00013  -0.00096   3.11846
   D230      -0.01450   0.00000  -0.00024  -0.00008  -0.00032  -0.01482
   D231       0.01896   0.00002   0.00018   0.00049   0.00067   0.01962
   D232      -3.11496   0.00002   0.00102   0.00028   0.00131  -3.11366
   D233      -0.00289  -0.00000   0.00023  -0.00009   0.00014  -0.00275
   D234       3.12406   0.00001  -0.00099   0.00046  -0.00054   3.12352
   D235       3.12460   0.00001  -0.00123   0.00043  -0.00080   3.12380
   D236      -0.03164   0.00001  -0.00245   0.00098  -0.00148  -0.03311
   D237       0.00565   0.00001  -0.00045   0.00050   0.00005   0.00570
   D238      -3.14106   0.00001   0.00007   0.00009   0.00015  -3.14090
   D239      -3.12043   0.00001   0.00115  -0.00008   0.00108  -3.11935
   D240       0.01605   0.00000   0.00167  -0.00049   0.00119   0.01723
   D241       0.00240  -0.00000  -0.00026   0.00010  -0.00016   0.00224
   D242       3.10990  -0.00002  -0.00098  -0.00023  -0.00121   3.10869
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   D246       0.01627  -0.00000   0.00150  -0.00050   0.00100   0.01726
   D247       0.00576   0.00001  -0.00037   0.00048   0.00011   0.00586
   D248      -3.14143   0.00001   0.00015   0.00010   0.00025  -3.14118
   D249       3.11865  -0.00000  -0.00075   0.00011  -0.00064   3.11801
   D250      -0.01443   0.00001  -0.00005  -0.00000  -0.00005  -0.01448
   D251       0.01890   0.00002   0.00015   0.00049   0.00064   0.01954
   D252      -3.11418   0.00002   0.00085   0.00038   0.00123  -3.11296
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   D255       3.11199  -0.00002  -0.00164  -0.00025  -0.00190   3.11010
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   D263       3.12508   0.00000  -0.00125   0.00034  -0.00091   3.12418
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   D269       0.00237  -0.00000  -0.00016   0.00004  -0.00012   0.00225
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   D324      -0.00915  -0.00002  -0.00118   0.00001  -0.00117  -0.01032
   D325      -0.00793  -0.00001  -0.00033  -0.00004  -0.00037  -0.00830
   D326       3.13975  -0.00001   0.00037  -0.00044  -0.00007   3.13969
   D327       3.12981   0.00001  -0.00004   0.00003  -0.00001   3.12979
   D328      -0.00570   0.00000   0.00066  -0.00036   0.00029  -0.00540
   D329       0.00764   0.00000   0.00058  -0.00015   0.00043   0.00807
   D330      -3.12883   0.00001   0.00006   0.00027   0.00033  -3.12850
   D331      -3.14005   0.00001  -0.00012   0.00025   0.00012  -3.13993
   D332       0.00666   0.00001  -0.00064   0.00066   0.00002   0.00668
   D333       0.00705   0.00000   0.00069  -0.00011   0.00058   0.00764
   D334      -3.14060   0.00001  -0.00011   0.00031   0.00021  -3.14039
   D335      -3.12935   0.00001   0.00023   0.00027   0.00050  -3.12886
   D336       0.00618   0.00001  -0.00057   0.00068   0.00012   0.00630
   D337      -0.00755  -0.00001  -0.00046  -0.00006  -0.00052  -0.00807
   D338       3.13001   0.00000  -0.00016  -0.00001  -0.00017   3.12984
   D339       3.14008  -0.00001   0.00033  -0.00048  -0.00014   3.13994
   D340      -0.00554  -0.00000   0.00064  -0.00042   0.00021  -0.00533
   D341      -0.00478  -0.00000  -0.00016  -0.00013  -0.00029  -0.00507
   D342       3.12910  -0.00001  -0.00101   0.00005  -0.00097   3.12814
   D343       3.14083  -0.00002  -0.00046  -0.00019  -0.00065   3.14019
   D344      -0.00848  -0.00002  -0.00131  -0.00001  -0.00132  -0.00980
   D345      -0.00466  -0.00000  -0.00015  -0.00013  -0.00028  -0.00495
   D346       3.14109  -0.00001  -0.00042  -0.00018  -0.00060   3.14049
   D347       3.12925  -0.00001  -0.00105   0.00003  -0.00102   3.12823
   D348      -0.00818  -0.00002  -0.00132  -0.00002  -0.00134  -0.00951
   D349      -0.00756  -0.00001  -0.00050  -0.00004  -0.00055  -0.00811
   D350       3.14011  -0.00001   0.00035  -0.00049  -0.00015   3.13997
   D351       3.12985   0.00000  -0.00024   0.00001  -0.00023   3.12962
   D352      -0.00566  -0.00000   0.00061  -0.00044   0.00017  -0.00549
   D353       0.00696   0.00000   0.00071  -0.00012   0.00059   0.00756
   D354      -3.12939   0.00001   0.00029   0.00025   0.00054  -3.12885
   D355      -3.14073   0.00001  -0.00014   0.00033   0.00019  -3.14054
   D356       0.00610   0.00001  -0.00056   0.00070   0.00014   0.00624
   D357      -0.00796   0.00000  -0.00049   0.00022  -0.00027  -0.00824
   D358       3.14013  -0.00001  -0.00000  -0.00016  -0.00016   3.13997
   D359       3.12812  -0.00000   0.00018  -0.00015   0.00003   3.12815
   D360      -0.00698  -0.00001   0.00067  -0.00053   0.00015  -0.00683
   D361       0.00839   0.00000   0.00011  -0.00000   0.00011   0.00850
   D362      -3.12910  -0.00001  -0.00026  -0.00003  -0.00029  -3.12939
   D363      -3.13968   0.00001  -0.00038   0.00037  -0.00001  -3.13969
   D364       0.00601  -0.00000  -0.00075   0.00034  -0.00041   0.00561
   D365       0.00552   0.00000   0.00010   0.00001   0.00010   0.00562
   D366      -3.12764   0.00000   0.00048  -0.00012   0.00035  -3.12729
   D367      -3.14016   0.00001   0.00046   0.00004   0.00050  -3.13966
   D368       0.00987   0.00001   0.00084  -0.00009   0.00075   0.01062
   D369       0.00564  -0.00000   0.00000   0.00000   0.00000   0.00564
   D370      -3.14041   0.00001   0.00035   0.00007   0.00041  -3.14000
   D371      -3.12728   0.00000   0.00042  -0.00004   0.00037  -3.12690
   D372       0.00986   0.00001   0.00076   0.00002   0.00079   0.01064
   D373       0.00830   0.00000   0.00008   0.00009   0.00017   0.00847
   D374      -3.14000   0.00001  -0.00043   0.00041  -0.00002  -3.14002
   D375      -3.12882  -0.00001  -0.00027   0.00003  -0.00024  -3.12906
   D376       0.00607  -0.00000  -0.00077   0.00034  -0.00043   0.00564
   D377      -0.00802   0.00000  -0.00040   0.00015  -0.00024  -0.00827
   D378       3.12798  -0.00000   0.00020  -0.00025  -0.00005   3.12793
   D379       3.14029  -0.00000   0.00011  -0.00016  -0.00005   3.14024
   D380      -0.00689  -0.00001   0.00070  -0.00057   0.00014  -0.00676
         Item               Value     Threshold  Converged?
 Maximum Force            0.000388     0.000450     YES
 RMS     Force            0.000052     0.000300     YES
 Maximum Displacement     0.169919     0.001800     NO 
 RMS     Displacement     0.022754     0.001200     NO 
 Predicted change in Energy=-7.877801D-06
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C74H46ClN5
 Framework group  C1[X(C74H46ClN5)]
 Deg. of freedom   372
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        1.258292    2.446644   -0.032979
      2          6           0        1.597729    1.092762    0.004939
      3          6           0        0.630331    0.071439    0.029246
      4          6           0       -0.732731    0.448371    0.011095
      5          6           0       -1.081260    1.811237   -0.032982
      6          6           0       -0.109746    2.792360   -0.054004
      7          6           0        0.992171   -1.355946    0.056306
      8          6           0       -0.018217   -2.362327    0.098122
      9          6           0       -1.414541   -1.965103    0.110013
     10          6           0       -1.779282   -0.568696    0.044169
     11          6           0        2.333756   -1.767160    0.047329
     12          6           0        2.713560   -3.112138    0.070510
     13          6           0        1.696464   -4.086151    0.106201
     14          6           0        0.364538   -3.721832    0.119215
     15          7           0       -2.416778   -2.859554    0.173614
     16          6           0       -3.728574   -2.484345    0.152980
     17          6           0       -4.030214   -1.093207    0.059051
     18          7           0       -3.043301   -0.171172    0.018106
     19          6           0       -4.775097   -3.435565    0.217347
     20          6           0       -6.074741   -2.990165    0.181489
     21          6           0       -6.411947   -1.602948    0.084460
     22          6           0       -5.383463   -0.677999    0.027811
     23          6           0        2.308149    3.492996   -0.052767
     24          6           0        4.142651   -3.499392    0.059586
     25          6           0       -7.831154   -1.179844    0.044598
     26          6           0        4.591641   -4.620637    0.779080
     27          6           0        5.933956   -4.983949    0.785258
     28          6           0        6.869308   -4.244627    0.048246
     29          6           0        6.434332   -3.131908   -0.684910
     30          6           0        5.093541   -2.763262   -0.668530
     31          6           0        2.145572    4.666824   -0.808357
     32          6           0        3.131804    5.647235   -0.841716
     33          6           0        4.308964    5.489863   -0.097893
     34          6           0        4.480337    4.330261    0.670185
     35          6           0        3.497050    3.346460    0.682406
     36          6           0       -8.814266   -1.864136    0.779936
     37          6           0      -10.144329   -1.457954    0.758618
     38          6           0      -10.535895   -0.362089   -0.022368
     39          6           0       -9.567985    0.322297   -0.770962
     40          6           0       -8.237252   -0.078107   -0.728079
     41          7           0        5.311428    6.489852   -0.120739
     42          7           0        8.234742   -4.617767    0.041812
     43          7           0      -11.890211    0.046389   -0.057539
     44          6           0        8.735576   -5.896502   -0.244460
     45          6           0       10.149746   -5.867484   -0.150077
     46          6           0       10.520757   -4.515084    0.211485
     47          6           0        9.318117   -3.771984    0.319649
     48          6           0        6.668937    6.284536   -0.405222
     49          6           0        7.347169    7.527374   -0.330687
     50          6           0        6.358427    8.526939    0.016595
     51          6           0        5.116066    7.854362    0.136379
     52          6           0      -12.360939    1.348845    0.165023
     53          6           0      -13.773280    1.353829    0.042450
     54          6           0      -14.174496   -0.002092   -0.270706
     55          6           0      -12.991485   -0.781332   -0.323051
     56          6           0       11.745754   -3.887024    0.463194
     57          6           0       11.757549   -2.542688    0.822686
     58          6           0       10.555602   -1.825119    0.941704
     59          6           0        9.322726   -2.426114    0.696490
     60          6           0        8.051699   -7.056932   -0.617271
     61          6           0        8.806057   -8.200128   -0.872390
     62          6           0       10.207108   -8.192923   -0.767280
     63          6           0       10.883616   -7.030101   -0.411815
     64          6           0        6.422058    9.906029    0.246374
     65          6           0        5.261312   10.589480    0.595543
     66          6           0        4.041305    9.904832    0.725562
     67          6           0        3.950141    8.532639    0.502222
     68          6           0        7.335626    5.108399   -0.759475
     69          6           0        8.702336    5.190155   -1.017469
     70          6           0        9.392774    6.410850   -0.932429
     71          6           0        8.720554    7.581459   -0.594485
     72          6           0      -15.411524   -0.606447   -0.521970
     73          6           0      -15.453529   -1.963687   -0.826024
     74          6           0      -14.269938   -2.717855   -0.890434
     75          6           0      -13.025764   -2.140948   -0.644593
     76          6           0      -11.653095    2.505011    0.504777
     77          6           0      -12.380417    3.677737    0.697325
     78          6           0      -13.778633    3.703669    0.563132
     79          6           0      -14.479663    2.545449    0.241241
     80          1           0       -2.267401   -3.963570    0.299426
     81          1           0        2.649227    0.837232   -0.013046
     82          1           0       -2.132897    2.071011   -0.037582
     83          1           0       -0.400652    3.837719   -0.057626
     84          1           0        3.118883   -1.022607    0.051299
     85          1           0        1.951700   -5.140321    0.095310
     86          1           0       -0.385083   -4.508456    0.144068
     87          1           0       -4.521430   -4.489152    0.285950
     88          1           0       -6.876024   -3.721348    0.202007
     89          1           0       -5.575473    0.388138   -0.012801
     90          1           0        3.888165   -5.191648    1.376601
     91          1           0        6.267894   -5.828689    1.377879
     92          1           0        7.146784   -2.576541   -1.285246
     93          1           0        4.772429   -1.918245   -1.269672
     94          1           0        1.253513    4.795760   -1.413370
     95          1           0        3.005568    6.528699   -1.461075
     96          1           0        5.374251    4.217426    1.274128
     97          1           0        3.635008    2.470819    1.309148
     98          1           0       -8.530770   -2.698656    1.413530
     99          1           0      -10.881953   -1.973581    1.363805
    100          1           0       -9.869256    1.149841   -1.403980
    101          1           0       -7.508606    0.445793   -1.338729
    102          1           0       12.674394   -4.444769    0.383468
    103          1           0       12.701433   -2.043990    1.019560
    104          1           0       10.584047   -0.779826    1.234953
    105          1           0        8.400125   -1.866954    0.804027
    106          1           0        6.971999   -7.070726   -0.713859
    107          1           0        8.296337   -9.114271   -1.161766
    108          1           0       10.764523   -9.101758   -0.971343
    109          1           0       11.967567   -7.021705   -0.342452
    110          1           0        7.367269   10.433748    0.157503
    111          1           0        5.297328   11.659404    0.775277
    112          1           0        3.148216   10.453545    1.009563
    113          1           0        3.006296    8.011709    0.617324
    114          1           0        6.809631    4.163748   -0.839824
    115          1           0        9.242068    4.289134   -1.293574
    116          1           0       10.458182    6.439504   -1.138364
    117          1           0        9.252518    8.526919   -0.540408
    118          1           0      -16.325606   -0.020924   -0.484472
    119          1           0      -16.406817   -2.444681   -1.021458
    120          1           0      -14.321519   -3.773363   -1.140384
    121          1           0      -12.117788   -2.729678   -0.710052
    122          1           0      -10.575612    2.493281    0.624140
    123          1           0      -11.851692    4.589074    0.960495
    124          1           0      -14.314922    4.634571    0.718558
    125          1           0      -15.561858    2.563064    0.149994
    126         17           0       -2.340080   -5.754550    0.549908
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           0.0230027           0.0074966           0.0056897
 Standard basis: 6-31G(d,p) (6D, 7F)
 There are  1434 symmetry adapted cartesian basis functions of A   symmetry.
 There are  1434 symmetry adapted basis functions of A   symmetry.
  1434 basis functions,  2586 primitive gaussians,  1434 cartesian basis functions
   271 alpha electrons      271 beta electrons
       nuclear repulsion energy     10549.7977454569 Hartrees.
 NAtoms=  126 NActive=  126 NUniq=  126 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=T Big=T
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 One-electron integrals computed using PRISM.
 NBasis=  1434 RedAO= T EigKep=  1.50D-04  NBF=  1434
 NBsUse=  1434 1.00D-06 EigRej= -1.00D+00 NBFU=  1434
 Initial guess from the checkpoint file:  "ph.chk"
 B after Tr=     0.000000    0.000000   -0.000000
         Rot=    1.000000   -0.000040   -0.000000   -0.000060 Ang=  -0.01 deg.
 ExpMin= 1.43D-01 ExpMax= 2.52D+04 ExpMxC= 3.78D+03 IAcc=2 IRadAn=         4 AccDes= 0.00D+00
 Harris functional with IExCor=  402 and IRadAn=       4 diagonalized for initial guess.
 HarFok:  IExCor=  402 AccDes= 0.00D+00 IRadAn=         4 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=        2001
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Petite list used in FoFCou.
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Integral accuracy reduced to 1.0D-05 until final iterations.
 Initial convergence to 1.0D-05 achieved.  Increase integral accuracy.
 SCF Done:  E(RB3LYP) =  -3581.78138304     A.U. after   10 cycles
            NFock= 10  Conv=0.68D-08     -V/T= 2.0089
 Calling FoFJK, ICntrl=      2127 FMM=T ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000144922   -0.000067253    0.000015355
      2        6           0.000041856    0.000078627    0.000025992
      3        6           0.000065754    0.000051356   -0.000006456
      4        6          -0.000042377   -0.000042601    0.000001699
      5        6          -0.000027084    0.000002947    0.000009867
      6        6          -0.000040977   -0.000061162   -0.000001517
      7        6           0.000169932   -0.000045432    0.000004406
      8        6          -0.000238876    0.000008356   -0.000130711
      9        6          -0.000121997    0.000279320    0.000253383
     10        6           0.000033037   -0.000272357    0.000074214
     11        6          -0.000010506   -0.000134918   -0.000052527
     12        6           0.000122216    0.000139913   -0.000028267
     13        6          -0.000038956    0.000066861    0.000009261
     14        6           0.000053525   -0.000030210    0.000015819
     15        7          -0.000073406    0.000289881   -0.000519259
     16        6           0.000291155   -0.000114164    0.000033907
     17        6          -0.000070938   -0.000013495    0.000025805
     18        7           0.000037764   -0.000032211    0.000032911
     19        6          -0.000110492    0.000059802   -0.000052736
     20        6          -0.000065406   -0.000030804   -0.000037199
     21        6           0.000058767    0.000133870    0.000011389
     22        6           0.000004411   -0.000067474   -0.000010884
     23        6          -0.000191560    0.000094580   -0.000022791
     24        6          -0.000196210   -0.000123782    0.000004363
     25        6          -0.000020947   -0.000021192   -0.000015971
     26        6           0.000027018    0.000052954   -0.000013864
     27        6          -0.000045889    0.000050402   -0.000031836
     28        6           0.000154861    0.000092366   -0.000001737
     29        6           0.000024366   -0.000054834    0.000031750
     30        6           0.000070321   -0.000016287   -0.000002985
     31        6           0.000016336   -0.000048414    0.000023274
     32        6          -0.000027370   -0.000049756    0.000025150
     33        6           0.000114711   -0.000070744    0.000005702
     34        6           0.000021982    0.000059580   -0.000019099
     35        6           0.000073686    0.000015542    0.000003417
     36        6           0.000011549    0.000001106   -0.000023907
     37        6          -0.000046546    0.000043879   -0.000044066
     38        6          -0.000129074   -0.000101084   -0.000016608
     39        6           0.000001071   -0.000060512    0.000042170
     40        6           0.000026011    0.000012593    0.000002177
     41        7           0.000003998    0.000003157   -0.000001591
     42        7          -0.000049567   -0.000033864    0.000010453
     43        7           0.000055269    0.000038016    0.000019304
     44        6          -0.000106314   -0.000080713    0.000036778
     45        6           0.000066401    0.000056550    0.000098233
     46        6           0.000078316    0.000029455   -0.000101657
     47        6          -0.000118436   -0.000055334   -0.000041877
     48        6          -0.000156298    0.000039289    0.000011933
     49        6           0.000069112   -0.000045695    0.000098437
     50        6           0.000093134   -0.000043064   -0.000077922
     51        6          -0.000110960    0.000104991   -0.000043847
     52        6           0.000095526    0.000065894   -0.000049603
     53        6          -0.000051517   -0.000057657   -0.000112497
     54        6          -0.000077191   -0.000028106    0.000110193
     55        6           0.000093964    0.000069543    0.000043510
     56        6           0.000032669   -0.000002666    0.000080956
     57        6           0.000087383    0.000053680   -0.000035247
     58        6          -0.000071968   -0.000026662   -0.000000718
     59        6           0.000029705   -0.000073483    0.000029857
     60        6          -0.000054105    0.000060694   -0.000023923
     61        6          -0.000054942   -0.000049818    0.000001087
     62        6           0.000087819    0.000053234    0.000033853
     63        6           0.000010572    0.000030673   -0.000081263
     64        6          -0.000002740   -0.000036498    0.000077760
     65        6           0.000097617   -0.000047328   -0.000025109
     66        6          -0.000063035    0.000052330   -0.000008111
     67        6          -0.000053940   -0.000074914    0.000016943
     68        6           0.000035628    0.000080753   -0.000016820
     69        6          -0.000077818    0.000024042   -0.000010076
     70        6           0.000084959   -0.000050882    0.000049753
     71        6           0.000043520    0.000012626   -0.000071914
     72        6          -0.000034625    0.000001872   -0.000085219
     73        6          -0.000086772   -0.000058087    0.000027055
     74        6           0.000066900    0.000025383    0.000000579
     75        6          -0.000017328    0.000065046   -0.000024775
     76        6           0.000054843   -0.000047041    0.000033533
     77        6           0.000050476    0.000051826    0.000000871
     78        6          -0.000087241   -0.000057069   -0.000031529
     79        6          -0.000013598   -0.000032893    0.000081571
     80        1          -0.000053481    0.000045908    0.000228841
     81        1          -0.000009735    0.000016856   -0.000000987
     82        1           0.000002005    0.000009052   -0.000009237
     83        1           0.000010483    0.000013196   -0.000011666
     84        1          -0.000007059   -0.000005178    0.000039630
     85        1           0.000013118   -0.000010229   -0.000013103
     86        1           0.000062966   -0.000048151   -0.000018022
     87        1          -0.000021021   -0.000043832   -0.000008482
     88        1          -0.000004274   -0.000006180    0.000051114
     89        1          -0.000010140    0.000028190   -0.000000689
     90        1           0.000009109   -0.000012133    0.000015697
     91        1          -0.000014682    0.000022476    0.000014531
     92        1           0.000016417   -0.000026611   -0.000012409
     93        1           0.000000308    0.000031155   -0.000013763
     94        1           0.000017999    0.000013364   -0.000018230
     95        1          -0.000013103   -0.000024162   -0.000014068
     96        1           0.000016637    0.000026218    0.000013093
     97        1          -0.000001353   -0.000030010    0.000016655
     98        1          -0.000006840   -0.000009644    0.000017201
     99        1          -0.000011530    0.000022005    0.000027230
    100        1           0.000019366   -0.000017260   -0.000025527
    101        1          -0.000030291   -0.000003402   -0.000009225
    102        1          -0.000008463    0.000007090   -0.000020770
    103        1          -0.000011656    0.000000840    0.000017038
    104        1          -0.000011160   -0.000006929    0.000001137
    105        1          -0.000003830   -0.000015522   -0.000000455
    106        1          -0.000011595    0.000006371   -0.000003851
    107        1          -0.000011578   -0.000005614   -0.000000758
    108        1          -0.000004835   -0.000010635   -0.000016712
    109        1           0.000002523   -0.000010922    0.000020416
    110        1           0.000004897    0.000010101   -0.000019354
    111        1          -0.000007237    0.000010412    0.000017424
    112        1          -0.000011142    0.000004268   -0.000001538
    113        1          -0.000012156   -0.000004916   -0.000001146
    114        1          -0.000007575    0.000014953   -0.000001109
    115        1          -0.000010231    0.000006680   -0.000001997
    116        1          -0.000008872   -0.000002276   -0.000019785
    117        1          -0.000010017   -0.000007879    0.000018778
    118        1           0.000009615   -0.000008754    0.000021222
    119        1           0.000010867    0.000002168   -0.000014910
    120        1           0.000011750    0.000009592   -0.000001156
    121        1           0.000003353    0.000015325   -0.000002816
    122        1           0.000011039   -0.000005322    0.000000455
    123        1           0.000013057    0.000006332    0.000000574
    124        1           0.000005913    0.000009381    0.000015352
    125        1          -0.000003578    0.000013511   -0.000020591
    126       17           0.000059952   -0.000122409    0.000107417
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000519259 RMS     0.000068272

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.000308692 RMS     0.000034592
 Search for a local minimum.
 Step number  17 out of a maximum of  756
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points   12   13   14   15   16
                                                     17
 DE= -2.29D-05 DEPred=-7.88D-06 R= 2.91D+00
 TightC=F SS=  1.41D+00  RLast= 5.51D-02 DXNew= 5.0454D+00 1.6538D-01
 Trust test= 2.91D+00 RLast= 5.51D-02 DXMaxT set to 3.00D+00
 ITU=  1  1  1  1  1  1  1  1  1  1  1  1  1  1  0  1  0
     Eigenvalues ---    0.00457   0.00703   0.01227   0.02231   0.02576
     Eigenvalues ---    0.02595   0.02667   0.02680   0.02689   0.02692
     Eigenvalues ---    0.02698   0.02705   0.02707   0.02707   0.02709
     Eigenvalues ---    0.02712   0.02716   0.02718   0.02729   0.02738
     Eigenvalues ---    0.02744   0.02758   0.02761   0.02768   0.02768
     Eigenvalues ---    0.02773   0.02776   0.02781   0.02786   0.02786
     Eigenvalues ---    0.02787   0.02791   0.02792   0.02792   0.02792
     Eigenvalues ---    0.02793   0.02793   0.02793   0.02798   0.02799
     Eigenvalues ---    0.02802   0.02802   0.02802   0.02803   0.02804
     Eigenvalues ---    0.02808   0.02808   0.02809   0.02809   0.02809
     Eigenvalues ---    0.02810   0.02812   0.02815   0.02818   0.02818
     Eigenvalues ---    0.02818   0.02819   0.02819   0.02825   0.02827
     Eigenvalues ---    0.02834   0.02837   0.02838   0.02845   0.02845
     Eigenvalues ---    0.02845   0.02845   0.02845   0.02851   0.02856
     Eigenvalues ---    0.02859   0.02864   0.02865   0.02868   0.02868
     Eigenvalues ---    0.02868   0.02872   0.02872   0.02876   0.02877
     Eigenvalues ---    0.02877   0.02877   0.02877   0.02878   0.02881
     Eigenvalues ---    0.02882   0.02884   0.02884   0.02885   0.02885
     Eigenvalues ---    0.02885   0.02885   0.02885   0.02885   0.02890
     Eigenvalues ---    0.02893   0.02895   0.02896   0.02896   0.02898
     Eigenvalues ---    0.02898   0.02900   0.02901   0.02901   0.02907
     Eigenvalues ---    0.02910   0.02911   0.02935   0.02942   0.02943
     Eigenvalues ---    0.02955   0.03017   0.03025   0.03025   0.03026
     Eigenvalues ---    0.03126   0.03136   0.03136   0.03137   0.03150
     Eigenvalues ---    0.03255   0.03288   0.03667   0.05525   0.10596
     Eigenvalues ---    0.15519   0.15771   0.15937   0.15981   0.15983
     Eigenvalues ---    0.15985   0.15985   0.15987   0.15990   0.15994
     Eigenvalues ---    0.15994   0.15995   0.15996   0.15996   0.15996
     Eigenvalues ---    0.15997   0.15997   0.15998   0.15999   0.15999
     Eigenvalues ---    0.15999   0.15999   0.15999   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16002
     Eigenvalues ---    0.16013   0.16034   0.16045   0.16094   0.16167
     Eigenvalues ---    0.17476   0.21999   0.22000   0.22000   0.22000
     Eigenvalues ---    0.22000   0.22002   0.22002   0.22003   0.22048
     Eigenvalues ---    0.22274   0.22434   0.22454   0.22600   0.22601
     Eigenvalues ---    0.22601   0.22602   0.22602   0.22670   0.22775
     Eigenvalues ---    0.22964   0.22966   0.23245   0.23370   0.23485
     Eigenvalues ---    0.23501   0.23898   0.23988   0.24007   0.24300
     Eigenvalues ---    0.24482   0.24483   0.24484   0.24521   0.24531
     Eigenvalues ---    0.24600   0.24648   0.24759   0.24943   0.24979
     Eigenvalues ---    0.24979   0.24980   0.24981   0.24981   0.24989
     Eigenvalues ---    0.24996   0.24999   0.24999   0.25000   0.25000
     Eigenvalues ---    0.25000   0.25000   0.25001   0.25003   0.25010
     Eigenvalues ---    0.25021   0.25039   0.25162   0.25187   0.25529
     Eigenvalues ---    0.26261   0.33241   0.33249   0.33252   0.33254
     Eigenvalues ---    0.33256   0.33257   0.33288   0.33299   0.33390
     Eigenvalues ---    0.33393   0.33396   0.33399   0.33401   0.33431
     Eigenvalues ---    0.33562   0.33567   0.33570   0.33572   0.33576
     Eigenvalues ---    0.33608   0.33614   0.33624   0.33643   0.33647
     Eigenvalues ---    0.33653   0.33665   0.33691   0.33710   0.33724
     Eigenvalues ---    0.33733   0.33812   0.33826   0.33829   0.33833
     Eigenvalues ---    0.33839   0.33847   0.33901   0.33929   0.33931
     Eigenvalues ---    0.33932   0.33937   0.33941   0.34905   0.34958
     Eigenvalues ---    0.35010   0.35588   0.44442   0.44443   0.44444
     Eigenvalues ---    0.45021   0.48036   0.48561   0.48858   0.48962
     Eigenvalues ---    0.48967   0.49295   0.49361   0.49596   0.49808
     Eigenvalues ---    0.49810   0.49827   0.49934   0.49940   0.50027
     Eigenvalues ---    0.50143   0.50407   0.50412   0.50611   0.50612
     Eigenvalues ---    0.50616   0.50974   0.51794   0.52191   0.52313
     Eigenvalues ---    0.52662   0.53186   0.53785   0.54107   0.54109
     Eigenvalues ---    0.54202   0.54204   0.54205   0.54576   0.54630
     Eigenvalues ---    0.54994   0.55093   0.55208   0.55314   0.55338
     Eigenvalues ---    0.55347   0.55349   0.55390   0.55396   0.55428
     Eigenvalues ---    0.55619   0.55697   0.55711   0.55712   0.55757
     Eigenvalues ---    0.55948   0.55951   0.56048   0.56145   0.56147
     Eigenvalues ---    0.56147   0.56229   0.56282   0.56287   0.56334
     Eigenvalues ---    0.56541   0.56662   0.56664   0.56669   0.56670
     Eigenvalues ---    0.56676   0.56690   0.56770   0.56807   0.56906
     Eigenvalues ---    0.56909   0.56943   0.57139   0.57169   0.57171
     Eigenvalues ---    0.57172   0.57182   0.57183   0.60075   0.63046
     Eigenvalues ---    0.63552   0.66065   0.66105   0.67558   0.67693
     Eigenvalues ---    0.67698   0.67707   0.69108   0.70109   0.70122
     Eigenvalues ---    0.73923   0.76276
 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF=       -3 using points:    17   16   15   14   13   12   11   10    9
 RFO step:  Lambda=-1.78615966D-05.
 DidBck=F Rises=F RFO-DIIS coefs:    1.90306   -0.87330   -0.22682    0.27179   -0.11323
                  RFO-DIIS coefs:    0.03461    0.01576    0.00191   -0.01376
 Iteration  1 RMS(Cart)=  0.01695250 RMS(Int)=  0.00006649
 Iteration  2 RMS(Cart)=  0.00011924 RMS(Int)=  0.00003018
 Iteration  3 RMS(Cart)=  0.00000012 RMS(Int)=  0.00003018
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        2.63862  -0.00006   0.00005  -0.00011  -0.00006   2.63856
    R2        2.66678  -0.00008  -0.00004  -0.00008  -0.00012   2.66667
    R3        2.80129   0.00008  -0.00040   0.00036  -0.00004   2.80125
    R4        2.65878  -0.00001  -0.00017   0.00014  -0.00003   2.65875
    R5        2.04516   0.00000   0.00006  -0.00009  -0.00002   2.04514
    R6        2.67271  -0.00008   0.00008  -0.00018  -0.00011   2.67260
    R7        2.78316   0.00007  -0.00012   0.00024   0.00011   2.78327
    R8        2.65963  -0.00001   0.00006  -0.00001   0.00005   2.65968
    R9        2.75848  -0.00007   0.00004  -0.00008  -0.00004   2.75844
   R10        2.60952  -0.00005  -0.00010  -0.00003  -0.00013   2.60940
   R11        2.04706   0.00001  -0.00001   0.00002   0.00001   2.04707
   R12        2.05052   0.00001   0.00004   0.00000   0.00005   2.05056
   R13        2.69605  -0.00017  -0.00015  -0.00008  -0.00023   2.69582
   R14        2.65170   0.00003   0.00003   0.00008   0.00010   2.65181
   R15        2.74346  -0.00003   0.00072  -0.00015   0.00056   2.74402
   R16        2.66927   0.00002  -0.00022   0.00019  -0.00003   2.66924
   R17        2.73020  -0.00031  -0.00028  -0.00019  -0.00048   2.72972
   R18        2.54136  -0.00005  -0.00038   0.00019  -0.00013   2.54123
   R19        2.50447  -0.00001   0.00015  -0.00006   0.00003   2.50451
   R20        2.64140  -0.00009  -0.00007  -0.00012  -0.00019   2.64121
   R21        2.04475  -0.00000   0.00003  -0.00006  -0.00003   2.04472
   R22        2.66207  -0.00002   0.00023  -0.00017   0.00006   2.66214
   R23        2.79806   0.00010  -0.00038   0.00039   0.00001   2.79807
   R24        2.60955  -0.00003  -0.00006  -0.00002  -0.00008   2.60947
   R25        2.04975   0.00001   0.00003   0.00001   0.00004   2.04979
   R26        2.05392   0.00008   0.00003   0.00038   0.00041   2.05433
   R27        2.57864  -0.00003   0.00037  -0.00021   0.00022   2.57886
   R28        2.11868   0.00003   0.00094  -0.00086   0.00019   2.11887
   R29        5.51867   0.00006   0.00164   0.00054   0.00208   5.52075
   R30        2.69581  -0.00007   0.00020  -0.00029  -0.00007   2.69574
   R31        2.67526  -0.00018   0.00010  -0.00032  -0.00021   2.67506
   R32        2.55345  -0.00007   0.00033  -0.00018   0.00010   2.55356
   R33        2.67559  -0.00006  -0.00022   0.00005  -0.00017   2.67541
   R34        2.59708  -0.00002  -0.00020   0.00006  -0.00015   2.59693
   R35        2.05198   0.00004  -0.00005   0.00016   0.00011   2.05209
   R36        2.70402   0.00006   0.00042  -0.00003   0.00037   2.70440
   R37        2.05025   0.00000  -0.00007   0.00006  -0.00001   2.05024
   R38        2.61611  -0.00005   0.00001   0.00002   0.00002   2.61613
   R39        2.79957  -0.00010  -0.00070   0.00018  -0.00053   2.79905
   R40        2.04856   0.00003  -0.00007   0.00009   0.00003   2.04858
   R41        2.65587  -0.00006   0.00003  -0.00008  -0.00005   2.65581
   R42        2.65602  -0.00008   0.00003  -0.00012  -0.00009   2.65593
   R43        2.65670  -0.00006   0.00001  -0.00008  -0.00007   2.65662
   R44        2.65655  -0.00008   0.00003  -0.00010  -0.00008   2.65647
   R45        2.65605  -0.00002   0.00019  -0.00006   0.00013   2.65618
   R46        2.65624  -0.00003   0.00030  -0.00012   0.00019   2.65643
   R47        2.62790  -0.00001  -0.00013   0.00006  -0.00007   2.62784
   R48        2.05100   0.00001   0.00004   0.00000   0.00004   2.05104
   R49        2.64877  -0.00006   0.00012  -0.00013  -0.00001   2.64876
   R50        2.04955  -0.00003  -0.00002  -0.00003  -0.00004   2.04950
   R51        2.64890  -0.00006   0.00006  -0.00009  -0.00003   2.64887
   R52        2.67494   0.00014   0.00007   0.00009   0.00015   2.67509
   R53        2.62793  -0.00001  -0.00011   0.00005  -0.00006   2.62787
   R54        2.04966  -0.00003  -0.00002  -0.00003  -0.00005   2.04960
   R55        2.05150   0.00002  -0.00001   0.00005   0.00005   2.05155
   R56        2.62867  -0.00001  -0.00017   0.00007  -0.00010   2.62857
   R57        2.05141   0.00001   0.00004   0.00000   0.00004   2.05145
   R58        2.64814  -0.00005   0.00016  -0.00010   0.00006   2.64820
   R59        2.04974  -0.00003  -0.00004  -0.00002  -0.00006   2.04968
   R60        2.64831  -0.00005   0.00015  -0.00011   0.00004   2.64835
   R61        2.67610   0.00011  -0.00013   0.00007  -0.00005   2.67605
   R62        2.62860  -0.00000  -0.00013   0.00006  -0.00007   2.62853
   R63        2.04977  -0.00003  -0.00003  -0.00003  -0.00007   2.04971
   R64        2.05154   0.00002   0.00003   0.00002   0.00005   2.05159
   R65        2.62836  -0.00002  -0.00008  -0.00001  -0.00009   2.62827
   R66        2.05123   0.00000  -0.00008   0.00005  -0.00003   2.05120
   R67        2.64844  -0.00005  -0.00008  -0.00003  -0.00010   2.64834
   R68        2.04947  -0.00003   0.00000  -0.00005  -0.00005   2.04942
   R69        2.64941  -0.00004   0.00002  -0.00002   0.00000   2.64941
   R70        2.67399   0.00014   0.00007   0.00010   0.00018   2.67416
   R71        2.62734  -0.00004  -0.00020  -0.00002  -0.00022   2.62712
   R72        2.04955  -0.00003  -0.00001  -0.00003  -0.00004   2.04951
   R73        2.05128   0.00002  -0.00012   0.00013   0.00001   2.05129
   R74        2.64961   0.00004   0.00065  -0.00012   0.00053   2.65014
   R75        2.64977   0.00003   0.00065  -0.00012   0.00052   2.65030
   R76        2.65098   0.00001   0.00051  -0.00014   0.00037   2.65134
   R77        2.64983   0.00002   0.00048  -0.00011   0.00036   2.65019
   R78        2.65068   0.00001   0.00029  -0.00005   0.00024   2.65092
   R79        2.65130   0.00001   0.00028  -0.00005   0.00023   2.65152
   R80        2.67890  -0.00011  -0.00006  -0.00014  -0.00021   2.67870
   R81        2.64107  -0.00007  -0.00006  -0.00007  -0.00013   2.64094
   R82        2.73675  -0.00004   0.00018  -0.00010   0.00008   2.73683
   R83        2.64477  -0.00004  -0.00013   0.00002  -0.00011   2.64466
   R84        2.67931  -0.00011  -0.00005  -0.00013  -0.00018   2.67913
   R85        2.64456  -0.00004  -0.00014   0.00002  -0.00011   2.64445
   R86        2.64116  -0.00007  -0.00006  -0.00006  -0.00012   2.64103
   R87        2.67928  -0.00011  -0.00008  -0.00015  -0.00023   2.67905
   R88        2.64107  -0.00007  -0.00004  -0.00007  -0.00011   2.64096
   R89        2.73674  -0.00003   0.00015  -0.00009   0.00006   2.73680
   R90        2.64474  -0.00004  -0.00015   0.00002  -0.00012   2.64461
   R91        2.67926  -0.00012  -0.00009  -0.00014  -0.00024   2.67902
   R92        2.64476  -0.00004  -0.00014   0.00002  -0.00013   2.64464
   R93        2.64108  -0.00007  -0.00004  -0.00007  -0.00011   2.64097
   R94        2.67899  -0.00010  -0.00002  -0.00014  -0.00016   2.67883
   R95        2.64102  -0.00006  -0.00010  -0.00003  -0.00013   2.64089
   R96        2.73688  -0.00004   0.00025  -0.00014   0.00011   2.73699
   R97        2.64457  -0.00004  -0.00009   0.00000  -0.00009   2.64448
   R98        2.67880  -0.00010  -0.00003  -0.00013  -0.00016   2.67864
   R99        2.64468  -0.00004  -0.00011   0.00001  -0.00010   2.64458
   R100       2.64097  -0.00006  -0.00011  -0.00002  -0.00012   2.64085
   R101       2.62978  -0.00000  -0.00004   0.00005   0.00001   2.62979
   R102       2.05260  -0.00000   0.00004  -0.00003   0.00001   2.05261
   R103       2.65488  -0.00010  -0.00018  -0.00001  -0.00019   2.65468
   R104       2.05136   0.00001  -0.00000   0.00001   0.00001   2.05137
   R105       2.63297   0.00002   0.00009  -0.00000   0.00009   2.63306
   R106       2.05228  -0.00000   0.00002  -0.00002   0.00001   2.05229
   R107       2.04878  -0.00001  -0.00002  -0.00001  -0.00003   2.04874
   R108       2.63279   0.00001   0.00009  -0.00001   0.00008   2.63287
   R109       2.04865  -0.00001  -0.00005   0.00003  -0.00002   2.04863
   R110       2.65508  -0.00009  -0.00017  -0.00001  -0.00018   2.65490
   R111       2.05208  -0.00000   0.00002  -0.00002  -0.00000   2.05208
   R112       2.62949  -0.00000  -0.00005   0.00006   0.00001   2.62949
   R113       2.05132   0.00001  -0.00000   0.00001   0.00001   2.05133
   R114       2.05262  -0.00000   0.00004  -0.00003   0.00001   2.05263
   R115       2.62961  -0.00000  -0.00006   0.00006   0.00000   2.62961
   R116       2.05260  -0.00000   0.00004  -0.00003   0.00000   2.05261
   R117       2.65509  -0.00010  -0.00020  -0.00001  -0.00021   2.65488
   R118       2.05132   0.00001  -0.00000   0.00001   0.00001   2.05133
   R119       2.63283   0.00002   0.00009   0.00000   0.00010   2.63293
   R120       2.05220  -0.00000   0.00002  -0.00002   0.00000   2.05221
   R121       2.04881  -0.00001  -0.00005   0.00000  -0.00005   2.04877
   R122       2.63286   0.00002   0.00009   0.00000   0.00010   2.63295
   R123       2.04884  -0.00002  -0.00004  -0.00001  -0.00005   2.04879
   R124       2.65507  -0.00010  -0.00020  -0.00001  -0.00021   2.65486
   R125       2.05223  -0.00000   0.00002  -0.00002   0.00000   2.05223
   R126       2.62965  -0.00000  -0.00006   0.00006  -0.00000   2.62965
   R127       2.05131   0.00001  -0.00000   0.00001   0.00001   2.05132
   R128       2.05260  -0.00000   0.00004  -0.00003   0.00000   2.05260
   R129       2.62958  -0.00001  -0.00002   0.00003   0.00001   2.62959
   R130       2.05258  -0.00000   0.00004  -0.00003   0.00001   2.05259
   R131       2.65492  -0.00010  -0.00015  -0.00003  -0.00018   2.65474
   R132       2.05129   0.00001   0.00000   0.00001   0.00001   2.05131
   R133       2.63292   0.00001   0.00009  -0.00002   0.00007   2.63299
   R134       2.05210  -0.00001   0.00002  -0.00002  -0.00000   2.05210
   R135       2.04868  -0.00001   0.00000  -0.00002  -0.00002   2.04866
   R136       2.63301   0.00001   0.00010  -0.00002   0.00008   2.63308
   R137       2.04872  -0.00001  -0.00002   0.00001  -0.00001   2.04871
   R138       2.65484  -0.00010  -0.00015  -0.00002  -0.00018   2.65466
   R139       2.05220  -0.00001   0.00002  -0.00003  -0.00000   2.05220
   R140       2.62973  -0.00001  -0.00002   0.00003   0.00001   2.62974
   R141       2.05132   0.00001   0.00000   0.00001   0.00001   2.05134
   R142       2.05258  -0.00000   0.00004  -0.00003   0.00001   2.05259
   R143       3.42016   0.00007   0.00031   0.00192   0.00234   3.42250
    A1        2.06417   0.00002   0.00011   0.00003   0.00013   2.06431
    A2        2.10902  -0.00002  -0.00005  -0.00001  -0.00006   2.10896
    A3        2.10999   0.00001  -0.00006  -0.00002  -0.00007   2.10992
    A4        2.13788   0.00002  -0.00003   0.00006   0.00002   2.13790
    A5        2.05406  -0.00003  -0.00011  -0.00012  -0.00023   2.05383
    A6        2.09086   0.00001   0.00016   0.00006   0.00022   2.09107
    A7        2.05892  -0.00005  -0.00002  -0.00015  -0.00017   2.05875
    A8        2.13521   0.00006  -0.00005   0.00021   0.00017   2.13538
    A9        2.08898  -0.00001   0.00009  -0.00006   0.00002   2.08900
   A10        2.09109   0.00003   0.00002   0.00013   0.00015   2.09124
   A11        2.10015  -0.00001   0.00001   0.00002   0.00002   2.10017
   A12        2.09193  -0.00002  -0.00001  -0.00015  -0.00016   2.09177
   A13        2.11094  -0.00000   0.00001  -0.00002  -0.00002   2.11093
   A14        2.06322   0.00001  -0.00033   0.00018  -0.00016   2.06306
   A15        2.10895  -0.00001   0.00033  -0.00015   0.00018   2.10913
   A16        2.10335  -0.00002  -0.00007  -0.00004  -0.00011   2.10324
   A17        2.08973   0.00002  -0.00047   0.00026  -0.00021   2.08952
   A18        2.08969  -0.00000   0.00055  -0.00022   0.00033   2.09002
   A19        2.10621  -0.00003   0.00006   0.00005   0.00010   2.10631
   A20        2.11623   0.00008   0.00005   0.00003   0.00009   2.11632
   A21        2.06073  -0.00005  -0.00012  -0.00008  -0.00019   2.06054
   A22        2.08104  -0.00004  -0.00001  -0.00014  -0.00016   2.08088
   A23        2.07997   0.00011   0.00018   0.00018   0.00036   2.08033
   A24        2.12216  -0.00006  -0.00017  -0.00004  -0.00020   2.12196
   A25        2.10238   0.00010   0.00001   0.00018   0.00012   2.10250
   A26        2.13553  -0.00006  -0.00058   0.00049  -0.00015   2.13538
   A27        2.04525  -0.00004   0.00058  -0.00067   0.00004   2.04529
   A28        2.08687  -0.00001   0.00012  -0.00000   0.00011   2.08698
   A29        2.06503  -0.00002   0.00003  -0.00026  -0.00023   2.06480
   A30        2.13127   0.00003  -0.00013   0.00026   0.00012   2.13140
   A31        2.14321  -0.00000   0.00005  -0.00006  -0.00002   2.14319
   A32        2.08525   0.00001  -0.00007   0.00017   0.00010   2.08535
   A33        2.05431  -0.00001   0.00003  -0.00011  -0.00008   2.05423
   A34        2.05957   0.00003   0.00002   0.00009   0.00010   2.05968
   A35        2.11040  -0.00003   0.00001  -0.00008  -0.00007   2.11033
   A36        2.11321   0.00000  -0.00003  -0.00001  -0.00004   2.11318
   A37        2.11089   0.00000  -0.00015   0.00015  -0.00000   2.11089
   A38        2.09650   0.00001  -0.00042   0.00024  -0.00018   2.09632
   A39        2.07540  -0.00001   0.00057  -0.00038   0.00019   2.07558
   A40        2.11197  -0.00008   0.00006  -0.00029  -0.00024   2.11173
   A41        2.10602   0.00005  -0.00006   0.00035   0.00029   2.10631
   A42        2.06520   0.00003  -0.00001  -0.00006  -0.00006   2.06514
   A43        2.13275   0.00010  -0.00007   0.00044   0.00012   2.13287
   A44        2.16633  -0.00007   0.00224  -0.00099   0.00115   2.16748
   A45        2.27293   0.00003   0.00323   0.00028   0.00310   2.27603
   A46        1.98291  -0.00003  -0.00129   0.00059  -0.00084   1.98207
   A47        1.87525  -0.00013  -0.00127  -0.00073  -0.00240   1.87286
   A48        2.06281  -0.00010  -0.00042   0.00011  -0.00019   2.06263
   A49        2.12376   0.00003   0.00112  -0.00064   0.00039   2.12414
   A50        2.09661   0.00008  -0.00071   0.00054  -0.00020   2.09640
   A51        2.10945  -0.00000   0.00044  -0.00039   0.00007   2.10952
   A52        2.08234   0.00000   0.00046  -0.00022   0.00026   2.08259
   A53        2.09129   0.00000  -0.00089   0.00060  -0.00031   2.09098
   A54        2.08442   0.00001  -0.00029   0.00028  -0.00006   2.08435
   A55        2.07159  -0.00005   0.00024  -0.00029  -0.00003   2.07156
   A56        2.07387  -0.00000  -0.00002  -0.00001  -0.00004   2.07383
   A57        2.13770   0.00005  -0.00021   0.00030   0.00006   2.13776
   A58        2.13983   0.00001   0.00046  -0.00007   0.00039   2.14022
   A59        2.07089  -0.00002  -0.00033  -0.00006  -0.00039   2.07051
   A60        2.07213   0.00000  -0.00015   0.00012  -0.00002   2.07211
   A61        2.06625  -0.00003  -0.00077   0.00020  -0.00057   2.06568
   A62        2.09955   0.00004   0.00042  -0.00015   0.00028   2.09983
   A63        2.11739  -0.00001   0.00035  -0.00006   0.00029   2.11768
   A64        2.10974  -0.00002   0.00032  -0.00016   0.00017   2.10991
   A65        2.04713   0.00000  -0.00057   0.00008  -0.00049   2.04664
   A66        2.12590   0.00002   0.00024   0.00009   0.00032   2.12623
   A67        2.11156  -0.00001  -0.00002  -0.00008  -0.00010   2.11147
   A68        2.11590  -0.00003   0.00013  -0.00013  -0.00000   2.11590
   A69        2.05572   0.00004  -0.00012   0.00021   0.00010   2.05582
   A70        2.10954   0.00000   0.00014  -0.00008   0.00006   2.10960
   A71        2.11732  -0.00004  -0.00014  -0.00010  -0.00024   2.11708
   A72        2.05633   0.00004   0.00000   0.00017   0.00018   2.05651
   A73        2.11407   0.00001   0.00013  -0.00003   0.00010   2.11418
   A74        2.11229  -0.00003   0.00030  -0.00021   0.00009   2.11238
   A75        2.05682   0.00003  -0.00043   0.00024  -0.00019   2.05663
   A76        2.11638  -0.00003   0.00003  -0.00013  -0.00010   2.11628
   A77        2.08789   0.00002  -0.00030   0.00018  -0.00012   2.08777
   A78        2.07801   0.00001   0.00029  -0.00006   0.00024   2.07825
   A79        2.09901   0.00001  -0.00002  -0.00001  -0.00003   2.09898
   A80        2.09799   0.00001   0.00006   0.00009   0.00015   2.09815
   A81        2.08595  -0.00002  -0.00005  -0.00007  -0.00013   2.08582
   A82        2.07904  -0.00000  -0.00002   0.00010   0.00008   2.07912
   A83        2.10256  -0.00000   0.00007  -0.00011  -0.00005   2.10251
   A84        2.10158   0.00001  -0.00004   0.00002  -0.00003   2.10155
   A85        2.09840   0.00001   0.00001  -0.00004  -0.00003   2.09837
   A86        2.08532  -0.00002  -0.00007  -0.00005  -0.00013   2.08520
   A87        2.09913   0.00001   0.00005   0.00010   0.00014   2.09928
   A88        2.11701  -0.00002  -0.00000  -0.00010  -0.00010   2.11690
   A89        2.08785   0.00001  -0.00032   0.00014  -0.00018   2.08767
   A90        2.07717   0.00002   0.00036  -0.00006   0.00030   2.07747
   A91        2.11711  -0.00003   0.00008  -0.00013  -0.00005   2.11706
   A92        2.08736   0.00001  -0.00026   0.00012  -0.00015   2.08721
   A93        2.07777   0.00002   0.00020   0.00001   0.00022   2.07799
   A94        2.09866   0.00001   0.00008  -0.00005   0.00003   2.09870
   A95        2.09896   0.00001  -0.00011   0.00014   0.00003   2.09899
   A96        2.08531  -0.00002   0.00001  -0.00009  -0.00008   2.08524
   A97        2.07894  -0.00001  -0.00019   0.00012  -0.00006   2.07888
   A98        2.10224  -0.00001   0.00007  -0.00005   0.00001   2.10226
   A99        2.10200   0.00001   0.00013  -0.00007   0.00005   2.10205
   A100       2.09855   0.00001   0.00006  -0.00003   0.00003   2.09859
   A101       2.08519  -0.00002   0.00001  -0.00007  -0.00006   2.08513
   A102       2.09913   0.00001  -0.00010   0.00012   0.00002   2.09915
   A103       2.11720  -0.00003   0.00008  -0.00013  -0.00005   2.11715
   A104       2.08697   0.00001  -0.00024   0.00011  -0.00013   2.08684
   A105       2.07797   0.00002   0.00018   0.00003   0.00020   2.07817
   A106       2.11611  -0.00003   0.00022  -0.00014   0.00009   2.11620
   A107       2.09094   0.00000  -0.00019   0.00015  -0.00004   2.09090
   A108       2.07513   0.00003  -0.00006  -0.00000  -0.00006   2.07507
   A109       2.09910   0.00001   0.00000  -0.00002  -0.00002   2.09908
   A110       2.09786   0.00002   0.00016   0.00000   0.00016   2.09803
   A111       2.08597  -0.00002  -0.00016   0.00002  -0.00015   2.08583
   A112       2.07871   0.00001  -0.00002   0.00005   0.00003   2.07873
   A113       2.10247   0.00001   0.00007   0.00004   0.00011   2.10258
   A114       2.10200  -0.00002  -0.00004  -0.00009  -0.00013   2.10187
   A115       2.09871   0.00001  -0.00001   0.00002   0.00001   2.09872
   A116       2.08556  -0.00003  -0.00018  -0.00002  -0.00020   2.08536
   A117       2.09857   0.00002   0.00020   0.00000   0.00019   2.09877
   A118       2.11673  -0.00002   0.00024  -0.00016   0.00009   2.11681
   A119       2.08702  -0.00001  -0.00015   0.00009  -0.00006   2.08696
   A120       2.07846   0.00003  -0.00011   0.00007  -0.00004   2.07842
   A121       2.19597   0.00004   0.00016  -0.00001   0.00015   2.19612
   A122       2.19639   0.00002   0.00012   0.00000   0.00013   2.19651
   A123       1.89083  -0.00005  -0.00028   0.00001  -0.00028   1.89055
   A124       2.19641   0.00002   0.00015  -0.00006   0.00009   2.19651
   A125       2.19614   0.00003   0.00006   0.00005   0.00011   2.19625
   A126       1.89063  -0.00005  -0.00022   0.00001  -0.00020   1.89043
   A127       2.19605   0.00000   0.00003  -0.00005  -0.00002   2.19603
   A128       2.19650   0.00004   0.00011   0.00006   0.00016   2.19666
   A129       1.89064  -0.00004  -0.00014  -0.00001  -0.00015   1.89049
   A130       1.90065   0.00001   0.00004   0.00000   0.00005   1.90069
   A131       2.26087  -0.00003   0.00007  -0.00017  -0.00010   2.26077
   A132       2.12104   0.00001  -0.00015   0.00018   0.00002   2.12106
   A133       1.86638   0.00001   0.00007  -0.00001   0.00006   1.86644
   A134       2.08706  -0.00000   0.00011  -0.00009   0.00002   2.08708
   A135       2.32966  -0.00001  -0.00018   0.00010  -0.00008   2.32958
   A136       1.86625   0.00001   0.00006   0.00000   0.00006   1.86631
   A137       2.32987  -0.00001  -0.00017   0.00008  -0.00009   2.32978
   A138       2.08697   0.00000   0.00011  -0.00008   0.00003   2.08700
   A139       1.90086   0.00001   0.00005  -0.00001   0.00004   1.90090
   A140       2.26114  -0.00002   0.00006  -0.00011  -0.00005   2.26109
   A141       2.12054   0.00001  -0.00014   0.00014  -0.00001   2.12053
   A142       1.90088   0.00001   0.00004   0.00000   0.00004   1.90092
   A143       2.26076  -0.00002   0.00016  -0.00015   0.00001   2.26077
   A144       2.12095   0.00001  -0.00025   0.00016  -0.00009   2.12086
   A145       1.86610   0.00002   0.00010  -0.00001   0.00010   1.86620
   A146       2.08678   0.00000   0.00020  -0.00009   0.00011   2.08689
   A147       2.33021  -0.00002  -0.00031   0.00010  -0.00021   2.33000
   A148       1.86616   0.00002   0.00010   0.00000   0.00010   1.86626
   A149       2.33013  -0.00002  -0.00030   0.00009  -0.00021   2.32993
   A150       2.08681   0.00000   0.00020  -0.00009   0.00011   2.08691
   A151       1.90081   0.00001   0.00005  -0.00000   0.00004   1.90085
   A152       2.26075  -0.00003   0.00015  -0.00015   0.00001   2.26075
   A153       2.12104   0.00001  -0.00025   0.00016  -0.00009   2.12095
   A154       1.90062   0.00001   0.00006  -0.00002   0.00005   1.90067
   A155       2.26109  -0.00002  -0.00013  -0.00003  -0.00016   2.26093
   A156       2.12080   0.00001   0.00006   0.00005   0.00011   2.12091
   A157       1.86648   0.00001  -0.00000   0.00002   0.00002   1.86650
   A158       2.08699  -0.00000  -0.00006  -0.00001  -0.00007   2.08692
   A159       2.32962  -0.00001   0.00006  -0.00000   0.00006   2.32967
   A160       1.86653   0.00001   0.00000   0.00003   0.00003   1.86656
   A161       2.32949  -0.00001   0.00005  -0.00001   0.00004   2.32953
   A162       2.08707  -0.00000  -0.00006  -0.00001  -0.00007   2.08700
   A163       1.90051   0.00001   0.00007  -0.00002   0.00005   1.90055
   A164       2.26107  -0.00001  -0.00015   0.00000  -0.00015   2.26092
   A165       2.12095   0.00000   0.00007   0.00003   0.00010   2.12104
   A166       2.07994  -0.00000   0.00003  -0.00003  -0.00000   2.07993
   A167       2.09986   0.00002  -0.00022   0.00020  -0.00002   2.09985
   A168       2.10337  -0.00002   0.00019  -0.00017   0.00002   2.10339
   A169       2.10370   0.00000  -0.00009   0.00009  -0.00001   2.10370
   A170       2.09210  -0.00001   0.00016  -0.00015   0.00001   2.09211
   A171       2.08736   0.00001  -0.00007   0.00007  -0.00000   2.08736
   A172       2.11976  -0.00003   0.00007  -0.00010  -0.00003   2.11973
   A173       2.08527   0.00000   0.00005  -0.00002   0.00003   2.08529
   A174       2.07815   0.00003  -0.00011   0.00012   0.00001   2.07816
   A175       2.05526   0.00002   0.00001  -0.00000   0.00001   2.05527
   A176       2.11833  -0.00001   0.00007  -0.00009  -0.00002   2.11831
   A177       2.10955  -0.00000  -0.00008   0.00010   0.00001   2.10957
   A178       2.05466   0.00001   0.00003  -0.00003  -0.00001   2.05465
   A179       2.11960  -0.00002   0.00005  -0.00008  -0.00003   2.11957
   A180       2.10889   0.00000  -0.00008   0.00012   0.00004   2.10893
   A181       2.12002  -0.00003   0.00006  -0.00010  -0.00004   2.11997
   A182       2.07761   0.00003  -0.00011   0.00011   0.00000   2.07761
   A183       2.08555   0.00000   0.00005  -0.00001   0.00004   2.08559
   A184       2.10390   0.00001  -0.00009   0.00010   0.00001   2.10391
   A185       2.08714   0.00000  -0.00007   0.00006  -0.00001   2.08713
   A186       2.09213  -0.00001   0.00016  -0.00016   0.00000   2.09213
   A187       2.07950  -0.00000   0.00004  -0.00005  -0.00001   2.07949
   A188       2.10007   0.00002  -0.00022   0.00020  -0.00002   2.10006
   A189       2.10360  -0.00002   0.00018  -0.00016   0.00003   2.10363
   A190       2.07973  -0.00000   0.00003  -0.00004  -0.00001   2.07971
   A191       2.10003   0.00002  -0.00024   0.00020  -0.00004   2.09999
   A192       2.10342  -0.00002   0.00022  -0.00017   0.00005   2.10347
   A193       2.10389   0.00000  -0.00014   0.00009  -0.00004   2.10385
   A194       2.09205  -0.00001   0.00018  -0.00015   0.00003   2.09208
   A195       2.08723   0.00001  -0.00004   0.00006   0.00002   2.08724
   A196       2.11989  -0.00003   0.00009  -0.00011  -0.00002   2.11987
   A197       2.08527   0.00000   0.00007  -0.00002   0.00005   2.08533
   A198       2.07802   0.00003  -0.00016   0.00013  -0.00003   2.07798
   A199       2.05484   0.00001   0.00005  -0.00002   0.00003   2.05487
   A200       2.11865  -0.00001   0.00017  -0.00011   0.00006   2.11870
   A201       2.10967   0.00000  -0.00022   0.00013  -0.00009   2.10958
   A202       2.05499   0.00001   0.00004  -0.00001   0.00003   2.05502
   A203       2.11833  -0.00001   0.00017  -0.00011   0.00006   2.11839
   A204       2.10983  -0.00000  -0.00022   0.00012  -0.00009   2.10974
   A205       2.11979  -0.00003   0.00010  -0.00011  -0.00001   2.11978
   A206       2.07821   0.00003  -0.00017   0.00013  -0.00004   2.07818
   A207       2.08518   0.00000   0.00007  -0.00002   0.00005   2.08523
   A208       2.10387   0.00000  -0.00014   0.00009  -0.00004   2.10383
   A209       2.08721   0.00001  -0.00004   0.00005   0.00002   2.08723
   A210       2.09208  -0.00001   0.00017  -0.00014   0.00003   2.09211
   A211       2.07981  -0.00000   0.00002  -0.00004  -0.00002   2.07979
   A212       2.10001   0.00002  -0.00024   0.00020  -0.00004   2.09997
   A213       2.10336  -0.00002   0.00022  -0.00017   0.00005   2.10341
   A214       2.07957   0.00000   0.00004  -0.00003   0.00001   2.07958
   A215       2.10003   0.00002  -0.00018   0.00019   0.00001   2.10004
   A216       2.10357  -0.00002   0.00014  -0.00016  -0.00002   2.10355
   A217       2.10385   0.00001  -0.00000   0.00006   0.00005   2.10391
   A218       2.09214  -0.00001   0.00012  -0.00015  -0.00003   2.09211
   A219       2.08718   0.00001  -0.00012   0.00009  -0.00002   2.08715
   A220       2.11992  -0.00003   0.00001  -0.00009  -0.00008   2.11984
   A221       2.08553   0.00000   0.00001  -0.00001   0.00000   2.08553
   A222       2.07773   0.00003  -0.00002   0.00010   0.00008   2.07780
   A223       2.05480   0.00002  -0.00006   0.00005  -0.00002   2.05478
   A224       2.11960  -0.00002  -0.00008  -0.00003  -0.00011   2.11949
   A225       2.10876  -0.00000   0.00015  -0.00001   0.00013   2.10889
   A226       2.05500   0.00002  -0.00005   0.00002  -0.00002   2.05497
   A227       2.11904  -0.00002  -0.00008  -0.00002  -0.00010   2.11894
   A228       2.10911   0.00000   0.00012   0.00000   0.00012   2.10923
   A229       2.11983  -0.00003  -0.00000  -0.00008  -0.00008   2.11975
   A230       2.07792   0.00003  -0.00001   0.00008   0.00008   2.07800
   A231       2.08543   0.00000   0.00001  -0.00000   0.00001   2.08544
   A232       2.10378   0.00001  -0.00000   0.00006   0.00006   2.10384
   A233       2.08731   0.00000  -0.00012   0.00009  -0.00002   2.08729
   A234       2.09208  -0.00001   0.00012  -0.00015  -0.00004   2.09204
   A235       2.07976   0.00000   0.00005  -0.00004   0.00000   2.07977
   A236       2.09993   0.00002  -0.00016   0.00019   0.00003   2.09995
   A237       2.10348  -0.00002   0.00012  -0.00015  -0.00003   2.10345
    D1       -0.00550   0.00001   0.00050   0.00006   0.00055  -0.00495
    D2        3.10624   0.00001   0.00100  -0.00016   0.00084   3.10708
    D3        3.13774   0.00001   0.00016   0.00019   0.00035   3.13809
    D4       -0.03370   0.00001   0.00067  -0.00003   0.00064  -0.03307
    D5        0.00363  -0.00001  -0.00111  -0.00003  -0.00114   0.00249
    D6        3.11410  -0.00001  -0.00050  -0.00023  -0.00073   3.11337
    D7       -3.13961  -0.00001  -0.00077  -0.00016  -0.00094  -3.14055
    D8       -0.02914  -0.00001  -0.00016  -0.00036  -0.00053  -0.02967
    D9        2.49761  -0.00001  -0.00277   0.00010  -0.00268   2.49493
   D10       -0.64492  -0.00001  -0.00283   0.00021  -0.00262  -0.64754
   D11       -0.64229  -0.00001  -0.00312   0.00023  -0.00289  -0.64518
   D12        2.49837  -0.00001  -0.00318   0.00034  -0.00283   2.49553
   D13        0.00251   0.00000   0.00097  -0.00006   0.00091   0.00342
   D14        3.13121   0.00001   0.00313  -0.00031   0.00281   3.13402
   D15       -3.10862   0.00000   0.00046   0.00016   0.00062  -3.10800
   D16        0.02007   0.00002   0.00262  -0.00008   0.00253   0.02260
   D17        0.00237  -0.00001  -0.00184   0.00003  -0.00181   0.00056
   D18       -3.13421  -0.00001  -0.00270   0.00003  -0.00267  -3.13687
   D19       -3.12668  -0.00002  -0.00394   0.00027  -0.00366  -3.13034
   D20        0.01993  -0.00002  -0.00480   0.00027  -0.00452   0.01541
   D21        3.12722   0.00003  -0.00129   0.00144   0.00016   3.12738
   D22       -0.00982   0.00004   0.00071   0.00128   0.00199  -0.00783
   D23       -0.02748   0.00004   0.00091   0.00119   0.00209  -0.02539
   D24        3.11866   0.00005   0.00291   0.00103   0.00393   3.12258
   D25       -0.00418   0.00001   0.00128  -0.00001   0.00127  -0.00292
   D26       -3.13276   0.00001   0.00082   0.00002   0.00084  -3.13192
   D27        3.13241   0.00001   0.00214  -0.00001   0.00213   3.13454
   D28        0.00384   0.00001   0.00168   0.00002   0.00170   0.00554
   D29        0.01143  -0.00003   0.00226  -0.00156   0.00071   0.01214
   D30       -3.13517  -0.00002   0.00266  -0.00141   0.00129  -3.13388
   D31       -3.12514  -0.00003   0.00140  -0.00156  -0.00015  -3.12529
   D32        0.01145  -0.00002   0.00180  -0.00141   0.00042   0.01187
   D33        0.00112   0.00000   0.00023   0.00001   0.00024   0.00137
   D34       -3.10935  -0.00000  -0.00036   0.00020  -0.00016  -3.10950
   D35        3.12936   0.00000   0.00070  -0.00002   0.00068   3.13003
   D36        0.01889   0.00000   0.00010   0.00017   0.00028   0.01916
   D37        0.00304  -0.00001   0.00550  -0.00133   0.00415   0.00720
   D38        3.13835   0.00001   0.00469  -0.00060   0.00408  -3.14075
   D39        3.14023  -0.00001   0.00356  -0.00118   0.00238  -3.14058
   D40       -0.00764   0.00001   0.00275  -0.00044   0.00231  -0.00534
   D41       -3.14007  -0.00002  -0.00422   0.00051  -0.00370   3.13941
   D42        0.03321  -0.00002  -0.00468   0.00071  -0.00397   0.02924
   D43        0.00596  -0.00002  -0.00227   0.00035  -0.00191   0.00404
   D44       -3.10395  -0.00002  -0.00273   0.00055  -0.00218  -3.10613
   D45        0.02871  -0.00004  -0.00805   0.00003  -0.00800   0.02071
   D46       -3.11978  -0.00001  -0.00621   0.00000  -0.00620  -3.12598
   D47       -3.10644  -0.00006  -0.00722  -0.00072  -0.00793  -3.11437
   D48        0.02825  -0.00004  -0.00537  -0.00075  -0.00613   0.02212
   D49        0.00526   0.00000  -0.00113   0.00015  -0.00099   0.00427
   D50       -3.13409  -0.00002   0.00248  -0.00131   0.00117  -3.13292
   D51        3.14042   0.00003  -0.00197   0.00090  -0.00106   3.13936
   D52        0.00107  -0.00000   0.00165  -0.00056   0.00110   0.00217
   D53       -0.03615   0.00006   0.00423   0.00140   0.00562  -0.03053
   D54        3.11064   0.00006   0.00381   0.00126   0.00503   3.11566
   D55        3.11199   0.00003   0.00248   0.00143   0.00392   3.11591
   D56       -0.02440   0.00003   0.00206   0.00128   0.00332  -0.02108
   D57       -3.11416  -0.00006  -0.00115  -0.00240  -0.00351  -3.11768
   D58        0.08352  -0.00015  -0.01125  -0.00341  -0.01467   0.06885
   D59        0.10898  -0.00016  -0.01770  -0.00212  -0.01998   0.08899
   D60        0.02074  -0.00003   0.00065  -0.00242  -0.00177   0.01897
   D61       -3.06476  -0.00012  -0.00946  -0.00344  -0.01292  -3.07769
   D62       -3.03930  -0.00013  -0.01591  -0.00215  -0.01824  -3.05754
   D63       -3.13203  -0.00000  -0.00195   0.00016  -0.00181  -3.13384
   D64        0.00443   0.00000  -0.00154   0.00030  -0.00122   0.00321
   D65       -0.00158   0.00001   0.00009   0.00004   0.00013  -0.00145
   D66        3.14136   0.00001  -0.00007   0.00021   0.00014   3.14150
   D67        3.10886   0.00001   0.00054  -0.00015   0.00039   3.10925
   D68       -0.03139   0.00001   0.00038   0.00002   0.00040  -0.03099
   D69       -0.00111  -0.00000   0.00163  -0.00035   0.00128   0.00017
   D70        3.10996   0.00001   0.00176  -0.00036   0.00139   3.11136
   D71        3.13914  -0.00000   0.00180  -0.00052   0.00127   3.14041
   D72       -0.03298   0.00001   0.00192  -0.00054   0.00139  -0.03159
   D73        2.52102  -0.00001  -0.00288   0.00004  -0.00284   2.51817
   D74       -0.62197  -0.00000  -0.00317   0.00023  -0.00294  -0.62492
   D75       -0.61919  -0.00001  -0.00305   0.00022  -0.00284  -0.62203
   D76        2.52101  -0.00000  -0.00334   0.00041  -0.00293   2.51807
   D77       -0.00080  -0.00001  -0.00110   0.00026  -0.00085  -0.00165
   D78        3.13860   0.00002  -0.00464   0.00168  -0.00296   3.13564
   D79       -3.11224  -0.00002  -0.00121   0.00026  -0.00095  -3.11319
   D80        0.02716   0.00001  -0.00474   0.00168  -0.00306   0.02411
   D81        0.00119   0.00000  -0.00359   0.00198  -0.00158  -0.00039
   D82        3.13894   0.00000  -0.00412   0.00224  -0.00183   3.13711
   D83        3.09212   0.00008   0.00572   0.00285   0.00854   3.10065
   D84       -0.05332   0.00008   0.00519   0.00311   0.00829  -0.04503
   D85        3.07755   0.00009   0.01018   0.00179   0.01176   3.08931
   D86       -0.06789   0.00009   0.00965   0.00205   0.01151  -0.05638
   D87       -0.02223   0.00003   0.00413  -0.00030   0.00379  -0.01844
   D88        3.13510   0.00002   0.00288  -0.00021   0.00266   3.13777
   D89        3.12315   0.00003   0.00465  -0.00056   0.00403   3.12718
   D90       -0.00270   0.00002   0.00339  -0.00046   0.00291   0.00020
   D91       -3.13277  -0.00001  -0.00179   0.00010  -0.00168  -3.13445
   D92        0.00126  -0.00001  -0.00257   0.00016  -0.00241  -0.00115
   D93        0.00490  -0.00002  -0.00232   0.00037  -0.00193   0.00297
   D94        3.13894  -0.00001  -0.00310   0.00042  -0.00267   3.13627
   D95        0.01896  -0.00003  -0.00157  -0.00078  -0.00235   0.01661
   D96       -3.13846  -0.00002  -0.00029  -0.00089  -0.00121  -3.13967
   D97       -0.00226  -0.00001  -0.00173   0.00023  -0.00150  -0.00375
   D98        3.10920  -0.00001  -0.00188   0.00028  -0.00160   3.10759
   D99       -3.12827  -0.00002  -0.00299   0.00033  -0.00262  -3.13089
   D100      -0.01682  -0.00002  -0.00314   0.00038  -0.00272  -0.01954
   D101      -0.00231  -0.00001  -0.00041  -0.00004  -0.00045  -0.00276
   D102       3.11124  -0.00001  -0.00099  -0.00034  -0.00134   3.10989
   D103      -3.13606  -0.00001   0.00039  -0.00009   0.00031  -3.13575
   D104      -0.02251  -0.00002  -0.00019  -0.00039  -0.00058  -0.02309
   D105      -0.00254   0.00002   0.00205  -0.00020   0.00184  -0.00069
   D106       3.13764   0.00002   0.00170   0.00002   0.00172   3.13936
   D107      -3.11607   0.00003   0.00264   0.00011   0.00274  -3.11333
   D108       0.02411   0.00003   0.00229   0.00033   0.00262   0.02673
   D109       0.00480  -0.00001  -0.00092   0.00009  -0.00082   0.00398
   D110      -3.10528  -0.00001  -0.00075   0.00004  -0.00069  -3.10597
   D111      -3.13536  -0.00001  -0.00057  -0.00013  -0.00070  -3.13606
   D112       0.03775  -0.00002  -0.00040  -0.00019  -0.00057   0.03718
   D113       0.61566   0.00000  -0.00624   0.00119  -0.00505   0.61060
   D114      -2.52868  -0.00000  -0.00632   0.00094  -0.00539  -2.53406
   D115      -2.52740   0.00001  -0.00660   0.00142  -0.00518  -2.53257
   D116       0.61146  -0.00000  -0.00668   0.00116  -0.00551   0.60595
   D117      -3.13089   0.00001  -0.00001   0.00019   0.00019  -3.13070
   D118      -0.03635   0.00001   0.00049   0.00013   0.00062  -0.03573
   D119       0.01161   0.00000   0.00005   0.00008   0.00013   0.01174
   D120       3.10615   0.00001   0.00055   0.00002   0.00057   3.10671
   D121      -3.13600   0.00000   0.00012  -0.00004   0.00008  -3.13592
   D122      -0.04396   0.00001   0.00064  -0.00005   0.00059  -0.04337
   D123       0.00469   0.00000   0.00006   0.00007   0.00013   0.00483
   D124       3.09673   0.00001   0.00059   0.00006   0.00065   3.09737
   D125      -3.13033   0.00001  -0.00021   0.00025   0.00004  -3.13029
   D126      -0.03501   0.00001   0.00041   0.00013   0.00055  -0.03446
   D127       0.01261   0.00000   0.00007   0.00006   0.00014   0.01275
   D128       3.10793   0.00001   0.00069  -0.00005   0.00064   3.10858
   D129      -3.13488   0.00000   0.00026  -0.00002   0.00024  -3.13464
   D130      -0.04553   0.00001   0.00106  -0.00028   0.00078  -0.04476
   D131       0.00536   0.00000  -0.00002   0.00016   0.00015   0.00550
   D132       3.09470   0.00001   0.00078  -0.00010   0.00068   3.09538
   D133       3.12616  -0.00001  -0.00027  -0.00017  -0.00043   3.12573
   D134       0.03320  -0.00001   0.00045  -0.00041   0.00004   0.03324
   D135      -0.01277  -0.00000  -0.00019   0.00008  -0.00011  -0.01288
   D136      -3.10574  -0.00001   0.00052  -0.00016   0.00036  -3.10537
   D137       3.13985   0.00000   0.00036   0.00005   0.00041   3.14026
   D138       0.04611  -0.00000   0.00089  -0.00007   0.00082   0.04693
   D139      -0.00440  -0.00000   0.00028  -0.00020   0.00009  -0.00431
   D140      -3.09814  -0.00001   0.00081  -0.00032   0.00050  -3.09764
   D141      -0.01929  -0.00001  -0.00010  -0.00017  -0.00027  -0.01956
   D142       3.09897  -0.00000  -0.00096   0.00043  -0.00053   3.09844
   D143      -3.11487  -0.00001  -0.00070  -0.00007  -0.00077  -3.11563
   D144       0.00339  -0.00001  -0.00156   0.00053  -0.00103   0.00236
   D145       0.00778   0.00000   0.00006   0.00006   0.00012   0.00790
   D146      -3.13161   0.00000   0.00000   0.00011   0.00011  -3.13151
   D147      -3.11065  -0.00000   0.00092  -0.00054   0.00038  -3.11027
   D148       0.03315  -0.00000   0.00086  -0.00049   0.00037   0.03351
   D149       0.00994   0.00000  -0.00000   0.00016   0.00016   0.01009
   D150      -3.10401  -0.00000   0.00092  -0.00039   0.00053  -3.10348
   D151      -3.13386   0.00001   0.00005   0.00012   0.00017  -3.13368
   D152       0.03538  -0.00000   0.00097  -0.00043   0.00054   0.03592
   D153       0.90386   0.00005  -0.00240   0.00147  -0.00093   0.90293
   D154      -2.23856   0.00005  -0.00190   0.00155  -0.00034  -2.23890
   D155      -2.23550   0.00004  -0.00245   0.00151  -0.00094  -2.23644
   D156       0.90527   0.00005  -0.00196   0.00160  -0.00036   0.90491
   D157      -0.01664  -0.00001  -0.00002  -0.00027  -0.00029  -0.01693
   D158      -3.10630  -0.00002  -0.00079  -0.00002  -0.00081  -3.10711
   D159       3.09709  -0.00000  -0.00095   0.00028  -0.00067   3.09642
   D160       0.00743  -0.00001  -0.00172   0.00053  -0.00119   0.00624
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   D174       0.91569   0.00004  -0.00466   0.00175  -0.00291   0.91277
   D175       0.91769   0.00004  -0.00457   0.00174  -0.00284   0.91485
   D176      -2.22464   0.00004  -0.00468   0.00172  -0.00296  -2.22760
   D177      -0.01498  -0.00001  -0.00011  -0.00015  -0.00026  -0.01524
   D178      -3.10727  -0.00002  -0.00062  -0.00014  -0.00076  -3.10803
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   D189      -0.00841  -0.00001  -0.00018   0.00006  -0.00013  -0.00854
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   D193       2.24201  -0.00004   0.00010  -0.00111  -0.00101   2.24100
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   D195      -0.90218  -0.00003   0.00012  -0.00105  -0.00093  -0.90311
   D196       2.23748  -0.00003   0.00071  -0.00105  -0.00033   2.23715
   D197       0.01498   0.00001  -0.00010   0.00013   0.00003   0.01501
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   D211      -0.00093  -0.00000   0.00003  -0.00009  -0.00006  -0.00098
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   D213       3.14145  -0.00000  -0.00034  -0.00007  -0.00042   3.14103
   D214       0.03872  -0.00000   0.00054  -0.00033   0.00021   0.03893
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   D218      -0.04013   0.00001   0.00012   0.00019   0.00030  -0.03982
   D219       0.00112   0.00000  -0.00018   0.00008  -0.00010   0.00102
   D220       3.10311   0.00000  -0.00039   0.00018  -0.00021   3.10290
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   D228      -0.02002  -0.00001  -0.00086   0.00010  -0.00076  -0.02078
   D229       3.11846   0.00001  -0.00043   0.00020  -0.00023   3.11823
   D230      -0.01482   0.00000   0.00035  -0.00028   0.00007  -0.01475
   D231       0.01962   0.00001   0.00081  -0.00015   0.00066   0.02028
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   D233      -0.00275  -0.00000   0.00018  -0.00014   0.00004  -0.00272
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   D235       3.12380   0.00001  -0.00016   0.00025   0.00009   3.12389
   D236      -0.03311   0.00003  -0.00027   0.00056   0.00029  -0.03282
   D237       0.00570   0.00001   0.00025   0.00009   0.00034   0.00604
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   D239      -3.11935  -0.00001   0.00063  -0.00034   0.00028  -3.11907
   D240       0.01723  -0.00001   0.00064  -0.00052   0.00012   0.01735
   D241       0.00224   0.00000  -0.00016   0.00009  -0.00007   0.00216
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   D244      -0.02012  -0.00001  -0.00086   0.00006  -0.00081  -0.02093
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   D246       0.01726  -0.00001   0.00047  -0.00046   0.00001   0.01727
   D247       0.00586   0.00001   0.00029   0.00010   0.00039   0.00625
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   D249       3.11801   0.00001  -0.00020   0.00017  -0.00003   3.11798
   D250      -0.01448   0.00000   0.00052  -0.00025   0.00027  -0.01421
   D251       0.01954   0.00001   0.00078  -0.00011   0.00066   0.02020
   D252      -3.11296   0.00001   0.00149  -0.00053   0.00096  -3.11199
   D253       0.00224   0.00000  -0.00014   0.00010  -0.00004   0.00220
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   D255       3.11010  -0.00000  -0.00157   0.00040  -0.00117   3.10893
   D256      -0.01925  -0.00001  -0.00120   0.00014  -0.00106  -0.02031
   D257       3.11877   0.00001  -0.00061   0.00018  -0.00043   3.11834
   D258      -0.01436   0.00000   0.00025  -0.00029  -0.00004  -0.01441
   D259       0.01856   0.00001   0.00115  -0.00020   0.00095   0.01951
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   D261      -0.00273  -0.00000   0.00018  -0.00014   0.00004  -0.00269
   D262       3.12434   0.00001  -0.00021   0.00017  -0.00005   3.12430
   D263       3.12418   0.00001  -0.00026   0.00017  -0.00009   3.12409
   D264      -0.03194   0.00002  -0.00066   0.00048  -0.00017  -0.03211
   D265       0.00575   0.00001   0.00034   0.00009   0.00043   0.00618
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   D267      -3.11969  -0.00000   0.00083  -0.00026   0.00057  -3.11912
   D268       0.01673  -0.00001   0.00081  -0.00046   0.00034   0.01707
   D269       0.00225   0.00000  -0.00016   0.00013  -0.00002   0.00222
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   D271      -3.12724  -0.00001   0.00018  -0.00013   0.00005  -3.12719
   D272      -0.01925  -0.00001  -0.00115   0.00011  -0.00104  -0.02029
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   D274       0.01654  -0.00001   0.00077  -0.00046   0.00031   0.01684
   D275       0.00565   0.00001   0.00031   0.00011   0.00042   0.00608
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   D277       3.11903   0.00001  -0.00051   0.00011  -0.00040   3.11863
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   D279       0.01866   0.00001   0.00113  -0.00019   0.00094   0.01959
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   D281      -0.00245  -0.00000   0.00023  -0.00015   0.00008  -0.00237
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   D287      -0.01997  -0.00001  -0.00026  -0.00001  -0.00027  -0.02024
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   D289       0.00282   0.00000  -0.00018   0.00016  -0.00002   0.00280
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   D299       3.12646   0.00001  -0.00001   0.00026   0.00025   3.12671
   D300       0.02045   0.00001   0.00025   0.00013   0.00037   0.02082
   D301       3.11868   0.00001  -0.00006   0.00024   0.00018   3.11886
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   D378       3.12793  -0.00000  -0.00009  -0.00004  -0.00013   3.12780
   D379       3.14024  -0.00000   0.00003  -0.00012  -0.00009   3.14015
   D380      -0.00676  -0.00001   0.00013  -0.00032  -0.00020  -0.00695
         Item               Value     Threshold  Converged?
 Maximum Force            0.000309     0.000450     YES
 RMS     Force            0.000035     0.000300     YES
 Maximum Displacement     0.133407     0.001800     NO 
 RMS     Displacement     0.016991     0.001200     NO 
 Predicted change in Energy=-8.744732D-06
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C74H46ClN5
 Framework group  C1[X(C74H46ClN5)]
 Deg. of freedom   372
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        1.257314    2.445955   -0.032890
      2          6           0        1.597428    1.092186    0.001665
      3          6           0        0.630573    0.070383    0.026596
      4          6           0       -0.732580    0.446902    0.011514
      5          6           0       -1.081821    1.809752   -0.028041
      6          6           0       -0.110822    2.791291   -0.049065
      7          6           0        0.992923   -1.356936    0.053605
      8          6           0       -0.016922   -2.363671    0.095868
      9          6           0       -1.413716   -1.966896    0.103008
     10          6           0       -1.778752   -0.570608    0.042001
     11          6           0        2.334689   -1.767778    0.046342
     12          6           0        2.714850   -3.112471    0.073878
     13          6           0        1.698101   -4.086796    0.112160
     14          6           0        0.366044   -3.723013    0.121940
     15          7           0       -2.415698   -2.861991    0.159707
     16          6           0       -3.727745   -2.487257    0.138681
     17          6           0       -4.029607   -1.095613    0.053932
     18          7           0       -3.042841   -0.173153    0.017453
     19          6           0       -4.774222   -3.438963    0.193525
     20          6           0       -6.073755   -2.993311    0.159814
     21          6           0       -6.411457   -1.605222    0.074797
     22          6           0       -5.382730   -0.680093    0.025736
     23          6           0        2.306713    3.492713   -0.053909
     24          6           0        4.144089   -3.499239    0.064795
     25          6           0       -7.830418   -1.181911    0.038925
     26          6           0        4.593787   -4.616034    0.790664
     27          6           0        5.936260   -4.978589    0.798477
     28          6           0        6.870871   -4.243246    0.056570
     29          6           0        6.435080   -3.135148   -0.683044
     30          6           0        5.094195   -2.766907   -0.668080
     31          6           0        2.142769    4.666298   -0.809527
     32          6           0        3.128592    5.647000   -0.844253
     33          6           0        4.306600    5.490350   -0.101560
     34          6           0        4.479184    4.330989    0.666647
     35          6           0        3.496415    3.346738    0.679989
     36          6           0       -8.814449   -1.876115    0.763798
     37          6           0      -10.144416   -1.469576    0.746737
     38          6           0      -10.535088   -0.363097   -0.019496
     39          6           0       -9.566415    0.331353   -0.757766
     40          6           0       -8.235855   -0.069645   -0.719057
     41          7           0        5.308613    6.490719   -0.125725
     42          7           0        8.236552   -4.615813    0.051728
     43          7           0      -11.889349    0.046232   -0.050340
     44          6           0        8.737967   -5.896397   -0.226091
     45          6           0       10.152046   -5.866152   -0.132349
     46          6           0       10.522691   -4.511172    0.219985
     47          6           0        9.319939   -3.767789    0.323593
     48          6           0        6.666795    6.285533   -0.408465
     49          6           0        7.344182    7.528824   -0.336193
     50          6           0        6.354598    8.528760    0.007744
     51          6           0        5.112499    7.856045    0.127974
     52          6           0      -12.360050    1.345540    0.190701
     53          6           0      -13.772207    1.352660    0.067062
     54          6           0      -14.173548    0.001454   -0.265953
     55          6           0      -12.990794   -0.777266   -0.328601
     56          6           0       11.747566   -3.881067    0.466795
     57          6           0       11.759092   -2.534407    0.817508
     58          6           0       10.557029   -1.816617    0.932760
     59          6           0        9.324214   -2.419678    0.692093
     60          6           0        8.054523   -7.059298   -0.591663
     61          6           0        8.809282   -8.203912   -0.839360
     62          6           0       10.210225   -8.195540   -0.734168
     63          6           0       10.886318   -7.030147   -0.386405
     64          6           0        6.417635    9.908345    0.234288
     65          6           0        5.256473   10.592193    0.581293
     66          6           0        4.036836    9.907361    0.712615
     67          6           0        3.946331    8.534577    0.492343
     68          6           0        7.334303    5.109295   -0.760607
     69          6           0        8.701229    5.191327   -1.017641
     70          6           0        9.390925    6.412409   -0.933982
     71          6           0        8.717708    7.583249   -0.598835
     72          6           0      -15.410497   -0.598971   -0.526551
     73          6           0      -15.452596   -1.951703   -0.850083
     74          6           0      -14.269231   -2.705106   -0.924709
     75          6           0      -13.025072   -2.132009   -0.669826
     76          6           0      -11.652121    2.496313    0.547853
     77          6           0      -12.379214    3.666452    0.756610
     78          6           0      -13.777187    3.694763    0.621359
     79          6           0      -14.478320    2.541541    0.282193
     80          1           0       -2.267094   -3.967937    0.269333
     81          1           0        2.649042    0.837406   -0.019238
     82          1           0       -2.133628    2.068901   -0.029552
     83          1           0       -0.401836    3.836652   -0.049310
     84          1           0        3.119649   -1.023065    0.047962
     85          1           0        1.954003   -5.140864    0.105963
     86          1           0       -0.383411   -4.510113    0.146158
     87          1           0       -4.520533   -4.493175    0.252716
     88          1           0       -6.874742   -3.725001    0.171753
     89          1           0       -5.574130    0.386459   -0.006308
     90          1           0        3.890544   -5.184078    1.391318
     91          1           0        6.271084   -5.819339    1.396207
     92          1           0        7.146997   -2.583489   -1.287369
     93          1           0        4.772228   -1.925205   -1.273447
     94          1           0        1.249659    4.794808   -1.413121
     95          1           0        3.001709    6.527905   -1.464216
     96          1           0        5.373411    4.219020    1.270224
     97          1           0        3.635499    2.470879    1.306221
     98          1           0       -8.531639   -2.719008    1.386495
     99          1           0      -10.882805   -1.993326    1.343920
    100          1           0       -9.867206    1.167497   -1.379573
    101          1           0       -7.506683    0.462280   -1.322103
    102          1           0       12.676342   -4.439038    0.390251
    103          1           0       12.702930   -2.034039    1.010361
    104          1           0       10.585238   -0.769429    1.219204
    105          1           0        8.401430   -1.860364    0.797060
    106          1           0        6.974882   -7.073894   -0.688655
    107          1           0        8.299861   -9.120102   -1.122725
    108          1           0       10.767957   -9.105549   -0.932074
    109          1           0       11.970280   -7.020829   -0.317264
    110          1           0        7.362760   10.436119    0.144799
    111          1           0        5.291941   11.662596    0.758304
    112          1           0        3.143392   10.456305    0.995056
    113          1           0        3.002797    8.013483    0.609011
    114          1           0        6.808828    4.164345   -0.840479
    115          1           0        9.241625    4.290092   -1.291745
    116          1           0       10.456551    6.441241   -1.138791
    117          1           0        9.248974    8.529186   -0.546239
    118          1           0      -16.324497   -0.013868   -0.481228
    119          1           0      -16.405900   -2.429649   -1.052816
    120          1           0      -14.320941   -3.756929   -1.189708
    121          1           0      -12.117073   -2.719721   -0.743404
    122          1           0      -10.574798    2.482245    0.668329
    123          1           0      -11.850462    4.573767    1.033274
    124          1           0      -14.313319    4.623555    0.789484
    125          1           0      -15.560428    2.560888    0.190222
    126         17           0       -2.345947   -5.764629    0.483318
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           0.0230002           0.0074972           0.0056897
 Standard basis: 6-31G(d,p) (6D, 7F)
 There are  1434 symmetry adapted cartesian basis functions of A   symmetry.
 There are  1434 symmetry adapted basis functions of A   symmetry.
  1434 basis functions,  2586 primitive gaussians,  1434 cartesian basis functions
   271 alpha electrons      271 beta electrons
       nuclear repulsion energy     10549.7311786644 Hartrees.
 NAtoms=  126 NActive=  126 NUniq=  126 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=T Big=T
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 One-electron integrals computed using PRISM.
 NBasis=  1434 RedAO= T EigKep=  1.50D-04  NBF=  1434
 NBsUse=  1434 1.00D-06 EigRej= -1.00D+00 NBFU=  1434
 Initial guess from the checkpoint file:  "ph.chk"
 B after Tr=     0.000000    0.000000   -0.000000
         Rot=    1.000000   -0.000038    0.000001   -0.000077 Ang=  -0.01 deg.
 ExpMin= 1.43D-01 ExpMax= 2.52D+04 ExpMxC= 3.78D+03 IAcc=2 IRadAn=         4 AccDes= 0.00D+00
 Harris functional with IExCor=  402 and IRadAn=       4 diagonalized for initial guess.
 HarFok:  IExCor=  402 AccDes= 0.00D+00 IRadAn=         4 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=        2001
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Petite list used in FoFCou.
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Integral accuracy reduced to 1.0D-05 until final iterations.
 Initial convergence to 1.0D-05 achieved.  Increase integral accuracy.
 SCF Done:  E(RB3LYP) =  -3581.78139589     A.U. after   10 cycles
            NFock= 10  Conv=0.42D-08     -V/T= 2.0089
 Calling FoFJK, ICntrl=      2127 FMM=T ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000121021   -0.000083473    0.000010919
      2        6           0.000004302    0.000060571    0.000008954
      3        6           0.000068743    0.000020574   -0.000011232
      4        6          -0.000024962   -0.000020743    0.000008527
      5        6           0.000024346   -0.000026045    0.000046248
      6        6          -0.000072942   -0.000011736    0.000012349
      7        6           0.000097699   -0.000044825   -0.000023895
      8        6          -0.000006436    0.000123239   -0.000029176
      9        6          -0.000246164    0.000013879    0.000114854
     10        6           0.000030156   -0.000127946    0.000026252
     11        6          -0.000008595   -0.000060097   -0.000017412
     12        6           0.000156291    0.000094863    0.000000366
     13        6          -0.000096845    0.000020605   -0.000040062
     14        6           0.000114977   -0.000067394    0.000047294
     15        7           0.000151658    0.000112126   -0.000320476
     16        6           0.000146837   -0.000060878    0.000024169
     17        6          -0.000180603    0.000038278    0.000014527
     18        7           0.000105093   -0.000103182   -0.000001807
     19        6          -0.000073208    0.000000030   -0.000076257
     20        6           0.000029023    0.000077832    0.000034563
     21        6          -0.000093835   -0.000066014    0.000016840
     22        6           0.000041994   -0.000009285   -0.000053607
     23        6          -0.000176086    0.000088739   -0.000023011
     24        6          -0.000176489   -0.000106969   -0.000001855
     25        6           0.000108057    0.000077901    0.000000360
     26        6           0.000072272    0.000051610    0.000020913
     27        6          -0.000083100    0.000044965   -0.000051856
     28        6           0.000078753    0.000044061   -0.000000188
     29        6           0.000002849   -0.000083608    0.000055329
     30        6           0.000080494    0.000026818   -0.000041066
     31        6           0.000070231   -0.000042013   -0.000005760
     32        6          -0.000083160   -0.000052718    0.000054954
     33        6           0.000088418   -0.000053262    0.000007894
     34        6           0.000006553    0.000099064   -0.000063260
     35        6           0.000079585   -0.000030816    0.000036809
     36        6          -0.000063059   -0.000000972   -0.000056144
     37        6          -0.000010447    0.000058263   -0.000024836
     38        6          -0.000054253   -0.000032103    0.000002349
     39        6           0.000054603   -0.000030403    0.000024289
     40        6          -0.000030089   -0.000069287    0.000039095
     41        7          -0.000151010    0.000085813   -0.000023825
     42        7          -0.000138460   -0.000092715   -0.000000141
     43        7           0.000108750    0.000062743    0.000004895
     44        6          -0.000047302    0.000106158    0.000056088
     45        6           0.000009166    0.000079909    0.000053737
     46        6           0.000075625   -0.000027471   -0.000051483
     47        6           0.000064389   -0.000084548   -0.000054940
     48        6           0.000050959    0.000095963    0.000086464
     49        6           0.000065553    0.000025509    0.000057306
     50        6           0.000023400   -0.000073993   -0.000046624
     51        6          -0.000035042   -0.000106211   -0.000078791
     52        6           0.000040469   -0.000068203   -0.000028758
     53        6          -0.000009260   -0.000079393   -0.000065341
     54        6          -0.000079808    0.000022285    0.000064877
     55        6          -0.000052289    0.000071858    0.000027171
     56        6           0.000000256   -0.000016287    0.000058749
     57        6           0.000027426    0.000021957   -0.000025736
     58        6          -0.000004860    0.000023299    0.000013504
     59        6          -0.000001475   -0.000038185    0.000006898
     60        6          -0.000032394    0.000014717   -0.000005006
     61        6           0.000017537   -0.000015300   -0.000015049
     62        6           0.000034878    0.000013213    0.000024633
     63        6          -0.000015659    0.000007788   -0.000061229
     64        6          -0.000024129   -0.000012669    0.000055395
     65        6           0.000039272   -0.000011672   -0.000020930
     66        6           0.000013860    0.000017817    0.000017952
     67        6          -0.000032431   -0.000021652    0.000002995
     68        6           0.000000946    0.000037191   -0.000006770
     69        6          -0.000004123   -0.000024441   -0.000015643
     70        6           0.000025720   -0.000022582    0.000028629
     71        6           0.000008240    0.000019572   -0.000057345
     72        6          -0.000001713    0.000021899   -0.000066907
     73        6          -0.000026298   -0.000026483    0.000023769
     74        6           0.000004565   -0.000017960   -0.000015081
     75        6           0.000011070    0.000037593   -0.000004937
     76        6           0.000040253   -0.000007309    0.000004723
     77        6          -0.000013717    0.000012279    0.000014782
     78        6          -0.000034455   -0.000013022   -0.000026864
     79        6           0.000018094   -0.000012378    0.000065116
     80        1          -0.000058337    0.000199690    0.000218296
     81        1          -0.000018777   -0.000017146    0.000004495
     82        1          -0.000012795    0.000018537   -0.000002257
     83        1           0.000030750    0.000003625   -0.000001200
     84        1          -0.000019217    0.000009913   -0.000021282
     85        1           0.000021081    0.000003132    0.000032764
     86        1          -0.000011777   -0.000001721   -0.000065987
     87        1          -0.000008337   -0.000006586   -0.000004618
     88        1           0.000004603   -0.000005261   -0.000006883
     89        1           0.000010333    0.000017197    0.000017697
     90        1          -0.000011190   -0.000010689   -0.000002435
     91        1           0.000003689   -0.000001446    0.000023926
     92        1          -0.000000349    0.000003247   -0.000023373
     93        1          -0.000010637    0.000002976    0.000009740
     94        1          -0.000007057    0.000007661   -0.000001666
     95        1           0.000002539    0.000005838   -0.000025793
     96        1          -0.000005523   -0.000002395    0.000024713
     97        1          -0.000006735   -0.000004116   -0.000004225
     98        1           0.000005676   -0.000011705    0.000022463
     99        1          -0.000004302    0.000000982    0.000011589
    100        1           0.000001987   -0.000004795   -0.000010823
    101        1          -0.000015031    0.000007641   -0.000018380
    102        1          -0.000009686    0.000011659   -0.000019848
    103        1          -0.000007628   -0.000005317    0.000012433
    104        1          -0.000006500   -0.000011624   -0.000007895
    105        1          -0.000001998    0.000004285    0.000018702
    106        1           0.000002327   -0.000003689   -0.000020517
    107        1          -0.000013617   -0.000000745    0.000009262
    108        1          -0.000008295   -0.000004387   -0.000011311
    109        1           0.000006627   -0.000014273    0.000020201
    110        1           0.000008348    0.000015038   -0.000018394
    111        1          -0.000009924    0.000003754    0.000010316
    112        1          -0.000012530   -0.000000017   -0.000011151
    113        1           0.000001341   -0.000000294    0.000023710
    114        1           0.000002070   -0.000002719   -0.000023026
    115        1          -0.000009095    0.000011440    0.000007648
    116        1          -0.000006157    0.000004732   -0.000012230
    117        1          -0.000012135   -0.000013392    0.000017679
    118        1           0.000008503   -0.000010696    0.000019749
    119        1           0.000007614    0.000006538   -0.000012106
    120        1           0.000003285    0.000010842    0.000007879
    121        1           0.000004391   -0.000006164   -0.000013032
    122        1          -0.000003823    0.000007720    0.000011433
    123        1           0.000011088   -0.000000940   -0.000008050
    124        1           0.000008290    0.000004717    0.000012977
    125        1          -0.000006415    0.000012551   -0.000018843
    126       17          -0.000076356   -0.000108335    0.000065418
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000320476 RMS     0.000054344

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.000324389 RMS     0.000030778
 Search for a local minimum.
 Step number  18 out of a maximum of  756
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points   13   14   15   16   17
                                                     18
 DE= -1.29D-05 DEPred=-8.74D-06 R= 1.47D+00
 TightC=F SS=  1.41D+00  RLast= 4.98D-02 DXNew= 5.0454D+00 1.4927D-01
 Trust test= 1.47D+00 RLast= 4.98D-02 DXMaxT set to 3.00D+00
 ITU=  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  0  1  0
     Eigenvalues ---    0.00348   0.00703   0.01067   0.01996   0.02576
     Eigenvalues ---    0.02601   0.02662   0.02680   0.02687   0.02691
     Eigenvalues ---    0.02700   0.02703   0.02707   0.02707   0.02709
     Eigenvalues ---    0.02712   0.02715   0.02718   0.02726   0.02740
     Eigenvalues ---    0.02744   0.02758   0.02759   0.02768   0.02768
     Eigenvalues ---    0.02773   0.02775   0.02778   0.02786   0.02786
     Eigenvalues ---    0.02787   0.02791   0.02792   0.02792   0.02792
     Eigenvalues ---    0.02793   0.02793   0.02793   0.02797   0.02800
     Eigenvalues ---    0.02802   0.02802   0.02802   0.02803   0.02804
     Eigenvalues ---    0.02806   0.02808   0.02809   0.02809   0.02809
     Eigenvalues ---    0.02809   0.02812   0.02815   0.02818   0.02818
     Eigenvalues ---    0.02818   0.02819   0.02819   0.02824   0.02830
     Eigenvalues ---    0.02834   0.02837   0.02839   0.02845   0.02845
     Eigenvalues ---    0.02845   0.02845   0.02845   0.02850   0.02851
     Eigenvalues ---    0.02858   0.02863   0.02865   0.02868   0.02868
     Eigenvalues ---    0.02868   0.02872   0.02872   0.02873   0.02876
     Eigenvalues ---    0.02877   0.02877   0.02877   0.02877   0.02881
     Eigenvalues ---    0.02883   0.02884   0.02884   0.02885   0.02885
     Eigenvalues ---    0.02885   0.02885   0.02885   0.02885   0.02887
     Eigenvalues ---    0.02894   0.02895   0.02896   0.02896   0.02898
     Eigenvalues ---    0.02898   0.02901   0.02901   0.02901   0.02907
     Eigenvalues ---    0.02910   0.02912   0.02934   0.02943   0.02944
     Eigenvalues ---    0.02978   0.03025   0.03025   0.03026   0.03044
     Eigenvalues ---    0.03124   0.03136   0.03136   0.03137   0.03150
     Eigenvalues ---    0.03219   0.03287   0.03642   0.05585   0.10658
     Eigenvalues ---    0.15542   0.15800   0.15946   0.15979   0.15981
     Eigenvalues ---    0.15983   0.15985   0.15985   0.15990   0.15991
     Eigenvalues ---    0.15994   0.15995   0.15995   0.15996   0.15996
     Eigenvalues ---    0.15997   0.15997   0.15997   0.15998   0.15999
     Eigenvalues ---    0.15999   0.15999   0.15999   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16002
     Eigenvalues ---    0.16021   0.16037   0.16050   0.16112   0.16176
     Eigenvalues ---    0.17495   0.21877   0.22000   0.22000   0.22000
     Eigenvalues ---    0.22000   0.22000   0.22002   0.22002   0.22004
     Eigenvalues ---    0.22158   0.22437   0.22459   0.22600   0.22601
     Eigenvalues ---    0.22602   0.22602   0.22602   0.22689   0.22917
     Eigenvalues ---    0.22965   0.22985   0.23044   0.23386   0.23488
     Eigenvalues ---    0.23498   0.23903   0.23982   0.24008   0.24284
     Eigenvalues ---    0.24482   0.24482   0.24483   0.24524   0.24528
     Eigenvalues ---    0.24624   0.24682   0.24835   0.24927   0.24979
     Eigenvalues ---    0.24979   0.24979   0.24980   0.24981   0.24986
     Eigenvalues ---    0.24993   0.24998   0.25000   0.25000   0.25000
     Eigenvalues ---    0.25000   0.25000   0.25001   0.25004   0.25014
     Eigenvalues ---    0.25025   0.25037   0.25174   0.25267   0.25810
     Eigenvalues ---    0.26454   0.33244   0.33249   0.33252   0.33254
     Eigenvalues ---    0.33256   0.33257   0.33289   0.33302   0.33390
     Eigenvalues ---    0.33393   0.33396   0.33399   0.33401   0.33430
     Eigenvalues ---    0.33562   0.33567   0.33570   0.33572   0.33576
     Eigenvalues ---    0.33613   0.33615   0.33623   0.33643   0.33647
     Eigenvalues ---    0.33653   0.33666   0.33692   0.33711   0.33725
     Eigenvalues ---    0.33730   0.33813   0.33829   0.33831   0.33834
     Eigenvalues ---    0.33840   0.33891   0.33929   0.33930   0.33932
     Eigenvalues ---    0.33936   0.33940   0.34027   0.34922   0.34990
     Eigenvalues ---    0.35108   0.35734   0.44442   0.44443   0.44444
     Eigenvalues ---    0.44992   0.48017   0.48278   0.48887   0.48967
     Eigenvalues ---    0.48972   0.49303   0.49392   0.49643   0.49808
     Eigenvalues ---    0.49810   0.49827   0.49934   0.49951   0.50030
     Eigenvalues ---    0.50176   0.50407   0.50410   0.50610   0.50612
     Eigenvalues ---    0.50616   0.50740   0.51840   0.52102   0.52315
     Eigenvalues ---    0.52659   0.53223   0.53916   0.54108   0.54119
     Eigenvalues ---    0.54202   0.54204   0.54205   0.54414   0.54578
     Eigenvalues ---    0.54950   0.55095   0.55217   0.55315   0.55330
     Eigenvalues ---    0.55349   0.55358   0.55370   0.55394   0.55465
     Eigenvalues ---    0.55510   0.55707   0.55711   0.55712   0.55947
     Eigenvalues ---    0.55951   0.56002   0.56041   0.56145   0.56147
     Eigenvalues ---    0.56147   0.56160   0.56268   0.56287   0.56291
     Eigenvalues ---    0.56479   0.56661   0.56664   0.56669   0.56670
     Eigenvalues ---    0.56676   0.56716   0.56741   0.56839   0.56850
     Eigenvalues ---    0.56906   0.56912   0.57078   0.57169   0.57171
     Eigenvalues ---    0.57172   0.57182   0.57183   0.58818   0.63027
     Eigenvalues ---    0.64554   0.66067   0.66114   0.67692   0.67698
     Eigenvalues ---    0.67704   0.68378   0.68640   0.70111   0.70146
     Eigenvalues ---    0.73944   0.76318
 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF=       -3 using points:    18   17   16   15   14   13   12   11   10    9
 RFO step:  Lambda=-1.11164015D-05.
 DidBck=F Rises=F RFO-DIIS coefs:    2.64600   -1.91498   -0.37924    1.05567   -0.36187
                  RFO-DIIS coefs:   -0.04083    0.01153   -0.02123    0.00322    0.00173
 Iteration  1 RMS(Cart)=  0.01611548 RMS(Int)=  0.00006494
 Iteration  2 RMS(Cart)=  0.00014216 RMS(Int)=  0.00000576
 Iteration  3 RMS(Cart)=  0.00000026 RMS(Int)=  0.00000576
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        2.63856  -0.00005  -0.00018   0.00002  -0.00015   2.63841
    R2        2.66667  -0.00003  -0.00018   0.00008  -0.00010   2.66657
    R3        2.80125   0.00010   0.00046  -0.00007   0.00039   2.80164
    R4        2.65875   0.00000   0.00008  -0.00008   0.00000   2.65876
    R5        2.04514   0.00002  -0.00012   0.00019   0.00007   2.04521
    R6        2.67260  -0.00004  -0.00032   0.00011  -0.00021   2.67239
    R7        2.78327  -0.00000   0.00031  -0.00021   0.00010   2.78337
    R8        2.65968  -0.00001   0.00008  -0.00006   0.00002   2.65970
    R9        2.75844  -0.00002  -0.00006   0.00008   0.00002   2.75846
   R10        2.60940   0.00001  -0.00003   0.00002  -0.00001   2.60939
   R11        2.04707  -0.00000   0.00001  -0.00001   0.00000   2.04707
   R12        2.05056   0.00000   0.00000   0.00003   0.00003   2.05060
   R13        2.69582  -0.00013  -0.00053   0.00015  -0.00038   2.69544
   R14        2.65181   0.00001   0.00016  -0.00006   0.00010   2.65191
   R15        2.74402  -0.00016   0.00014  -0.00002   0.00012   2.74414
   R16        2.66924   0.00004   0.00018  -0.00002   0.00016   2.66939
   R17        2.72972  -0.00020  -0.00089   0.00019  -0.00070   2.72902
   R18        2.54123  -0.00006  -0.00025   0.00026   0.00000   2.54123
   R19        2.50451  -0.00002  -0.00013   0.00014   0.00002   2.50453
   R20        2.64121  -0.00004  -0.00028   0.00003  -0.00025   2.64096
   R21        2.04472   0.00002  -0.00010   0.00016   0.00006   2.04478
   R22        2.66214  -0.00003  -0.00012   0.00005  -0.00007   2.66206
   R23        2.79807   0.00011   0.00056  -0.00010   0.00046   2.79853
   R24        2.60947   0.00002   0.00001   0.00001   0.00002   2.60949
   R25        2.04979   0.00000  -0.00001   0.00005   0.00005   2.04984
   R26        2.05433  -0.00002   0.00034  -0.00011   0.00023   2.05456
   R27        2.57886  -0.00002  -0.00006   0.00025   0.00019   2.57905
   R28        2.11887  -0.00014  -0.00154  -0.00125  -0.00276   2.11611
   R29        5.52075   0.00003   0.00492   0.00036   0.00524   5.52599
   R30        2.69574  -0.00001  -0.00022   0.00019  -0.00003   2.69571
   R31        2.67506  -0.00007  -0.00057   0.00030  -0.00028   2.67478
   R32        2.55356  -0.00011  -0.00013   0.00000  -0.00012   2.55343
   R33        2.67541   0.00001  -0.00013   0.00011  -0.00002   2.67539
   R34        2.59693   0.00003  -0.00007   0.00010   0.00004   2.59697
   R35        2.05209   0.00001   0.00009   0.00001   0.00009   2.05218
   R36        2.70440  -0.00004   0.00037  -0.00023   0.00014   2.70454
   R37        2.05024   0.00001   0.00006  -0.00005   0.00001   2.05025
   R38        2.61613  -0.00004   0.00013  -0.00023  -0.00009   2.61604
   R39        2.79905   0.00004  -0.00012   0.00004  -0.00008   2.79897
   R40        2.04858   0.00001  -0.00000   0.00004   0.00003   2.04862
   R41        2.65581  -0.00004  -0.00016   0.00004  -0.00012   2.65569
   R42        2.65593  -0.00005  -0.00022   0.00004  -0.00018   2.65575
   R43        2.65662  -0.00004  -0.00017   0.00002  -0.00015   2.65647
   R44        2.65647  -0.00005  -0.00018   0.00001  -0.00017   2.65630
   R45        2.65618  -0.00004   0.00007  -0.00008  -0.00001   2.65617
   R46        2.65643  -0.00005   0.00011  -0.00010   0.00000   2.65643
   R47        2.62784   0.00003   0.00001   0.00004   0.00005   2.62788
   R48        2.05104  -0.00000  -0.00004   0.00005   0.00001   2.05104
   R49        2.64876  -0.00005  -0.00011   0.00001  -0.00010   2.64866
   R50        2.04950  -0.00001   0.00004  -0.00007  -0.00003   2.04948
   R51        2.64887  -0.00004  -0.00009  -0.00001  -0.00010   2.64877
   R52        2.67509   0.00006   0.00025  -0.00005   0.00021   2.67530
   R53        2.62787   0.00002   0.00000   0.00004   0.00004   2.62791
   R54        2.04960  -0.00001   0.00004  -0.00006  -0.00003   2.04958
   R55        2.05155   0.00001  -0.00003   0.00006   0.00003   2.05157
   R56        2.62857   0.00003   0.00000   0.00002   0.00002   2.62859
   R57        2.05145  -0.00000  -0.00004   0.00005   0.00001   2.05146
   R58        2.64820  -0.00004   0.00000  -0.00003  -0.00003   2.64817
   R59        2.04968  -0.00001   0.00004  -0.00006  -0.00003   2.04965
   R60        2.64835  -0.00005  -0.00006  -0.00001  -0.00007   2.64828
   R61        2.67605   0.00006   0.00006   0.00000   0.00006   2.67611
   R62        2.62853   0.00003   0.00002   0.00002   0.00004   2.62857
   R63        2.04971  -0.00001   0.00004  -0.00007  -0.00004   2.04967
   R64        2.05159   0.00000  -0.00004   0.00006   0.00002   2.05161
   R65        2.62827   0.00001  -0.00010   0.00010  -0.00000   2.62826
   R66        2.05120   0.00000  -0.00003  -0.00000  -0.00003   2.05117
   R67        2.64834  -0.00003  -0.00009  -0.00001  -0.00010   2.64823
   R68        2.04942  -0.00001  -0.00001  -0.00000  -0.00002   2.04941
   R69        2.64941  -0.00003   0.00001  -0.00006  -0.00004   2.64937
   R70        2.67416   0.00005   0.00031  -0.00011   0.00020   2.67436
   R71        2.62712   0.00002  -0.00022   0.00014  -0.00008   2.62704
   R72        2.04951  -0.00001  -0.00002  -0.00000  -0.00002   2.04949
   R73        2.05129   0.00001  -0.00001   0.00001   0.00000   2.05129
   R74        2.65014  -0.00010   0.00044  -0.00018   0.00026   2.65039
   R75        2.65030  -0.00011   0.00044  -0.00020   0.00024   2.65053
   R76        2.65134  -0.00010   0.00029  -0.00016   0.00014   2.65148
   R77        2.65019  -0.00010   0.00031  -0.00017   0.00014   2.65033
   R78        2.65092  -0.00007   0.00029  -0.00014   0.00015   2.65106
   R79        2.65152  -0.00008   0.00025  -0.00015   0.00011   2.65163
   R80        2.67870  -0.00005  -0.00038   0.00017  -0.00022   2.67848
   R81        2.64094  -0.00002  -0.00019   0.00008  -0.00011   2.64083
   R82        2.73683  -0.00006  -0.00004   0.00001  -0.00002   2.73681
   R83        2.64466  -0.00000  -0.00010   0.00006  -0.00004   2.64462
   R84        2.67913  -0.00005  -0.00036   0.00016  -0.00020   2.67892
   R85        2.64445  -0.00000  -0.00010   0.00005  -0.00005   2.64440
   R86        2.64103  -0.00002  -0.00018   0.00006  -0.00012   2.64091
   R87        2.67905  -0.00005  -0.00043   0.00018  -0.00024   2.67880
   R88        2.64096  -0.00003  -0.00019   0.00008  -0.00012   2.64084
   R89        2.73680  -0.00006  -0.00004   0.00002  -0.00002   2.73678
   R90        2.64461  -0.00000  -0.00011   0.00006  -0.00006   2.64456
   R91        2.67902  -0.00005  -0.00042   0.00017  -0.00025   2.67877
   R92        2.64464  -0.00000  -0.00011   0.00005  -0.00006   2.64458
   R93        2.64097  -0.00003  -0.00018   0.00006  -0.00012   2.64084
   R94        2.67883  -0.00005  -0.00031   0.00012  -0.00019   2.67864
   R95        2.64089  -0.00002  -0.00011   0.00001  -0.00010   2.64078
   R96        2.73699  -0.00007  -0.00007   0.00003  -0.00004   2.73695
   R97        2.64448  -0.00001  -0.00009   0.00004  -0.00006   2.64442
   R98        2.67864  -0.00005  -0.00033   0.00013  -0.00020   2.67844
   R99        2.64458  -0.00001  -0.00010   0.00004  -0.00006   2.64452
   R100       2.64085  -0.00002  -0.00011   0.00001  -0.00010   2.64074
   R101       2.62979   0.00001   0.00008  -0.00002   0.00006   2.62986
   R102       2.05261  -0.00000  -0.00001   0.00001  -0.00001   2.05260
   R103       2.65468  -0.00002  -0.00018   0.00005  -0.00013   2.65456
   R104       2.05137   0.00000   0.00004  -0.00002   0.00002   2.05139
   R105       2.63306  -0.00000   0.00009  -0.00003   0.00006   2.63312
   R106       2.05229  -0.00001  -0.00001   0.00001  -0.00000   2.05229
   R107       2.04874  -0.00000   0.00003  -0.00003  -0.00000   2.04874
   R108       2.63287  -0.00000   0.00008  -0.00002   0.00005   2.63292
   R109       2.04863  -0.00000   0.00006  -0.00007  -0.00001   2.04862
   R110       2.65490  -0.00002  -0.00017   0.00005  -0.00012   2.65477
   R111       2.05208  -0.00000  -0.00002   0.00002  -0.00000   2.05208
   R112       2.62949   0.00001   0.00008  -0.00002   0.00006   2.62956
   R113       2.05133   0.00000   0.00004  -0.00002   0.00002   2.05135
   R114       2.05263  -0.00000  -0.00001   0.00001  -0.00001   2.05262
   R115       2.62961   0.00001   0.00008  -0.00002   0.00007   2.62968
   R116       2.05261  -0.00000  -0.00002   0.00001  -0.00001   2.05260
   R117       2.65488  -0.00002  -0.00020   0.00006  -0.00014   2.65474
   R118       2.05133   0.00000   0.00004  -0.00002   0.00002   2.05135
   R119       2.63293  -0.00000   0.00011  -0.00004   0.00007   2.63300
   R120       2.05221  -0.00001  -0.00002   0.00001  -0.00000   2.05220
   R121       2.04877   0.00000   0.00002  -0.00003  -0.00001   2.04876
   R122       2.63295  -0.00000   0.00011  -0.00004   0.00007   2.63302
   R123       2.04879  -0.00000   0.00002  -0.00004  -0.00002   2.04877
   R124       2.65486  -0.00002  -0.00019   0.00005  -0.00014   2.65472
   R125       2.05223  -0.00001  -0.00002   0.00001  -0.00000   2.05223
   R126       2.62965   0.00001   0.00009  -0.00002   0.00006   2.62971
   R127       2.05132   0.00000   0.00004  -0.00002   0.00002   2.05134
   R128       2.05260  -0.00000  -0.00002   0.00001  -0.00001   2.05259
   R129       2.62959   0.00001   0.00006   0.00000   0.00006   2.62965
   R130       2.05259  -0.00000  -0.00001   0.00000  -0.00001   2.05258
   R131       2.65474  -0.00002  -0.00020   0.00008  -0.00012   2.65461
   R132       2.05131   0.00000   0.00004  -0.00002   0.00002   2.05133
   R133       2.63299  -0.00001   0.00007  -0.00004   0.00004   2.63303
   R134       2.05210  -0.00001  -0.00002   0.00002  -0.00001   2.05209
   R135       2.04866   0.00000  -0.00001   0.00003   0.00001   2.04867
   R136       2.63308  -0.00001   0.00007  -0.00003   0.00004   2.63312
   R137       2.04871  -0.00000   0.00001   0.00000   0.00001   2.04872
   R138       2.65466  -0.00002  -0.00020   0.00007  -0.00013   2.65453
   R139       2.05220  -0.00000  -0.00003   0.00002  -0.00000   2.05219
   R140       2.62974   0.00001   0.00005   0.00000   0.00006   2.62979
   R141       2.05134   0.00000   0.00004  -0.00002   0.00002   2.05136
   R142       2.05259  -0.00000  -0.00001   0.00001  -0.00001   2.05258
   R143       3.42250   0.00006   0.00688   0.00097   0.00789   3.43039
    A1        2.06431   0.00000   0.00008   0.00005   0.00013   2.06443
    A2        2.10896  -0.00001  -0.00000  -0.00008  -0.00008   2.10888
    A3        2.10992   0.00001  -0.00008   0.00003  -0.00005   2.10987
    A4        2.13790   0.00000   0.00005  -0.00018  -0.00013   2.13778
    A5        2.05383   0.00001  -0.00023   0.00029   0.00006   2.05389
    A6        2.09107  -0.00001   0.00018  -0.00011   0.00007   2.09114
    A7        2.05875   0.00001  -0.00012   0.00020   0.00008   2.05883
    A8        2.13538  -0.00002   0.00003  -0.00022  -0.00018   2.13520
    A9        2.08900   0.00000   0.00010   0.00001   0.00011   2.08911
   A10        2.09124  -0.00001   0.00010  -0.00009   0.00002   2.09125
   A11        2.10017  -0.00003  -0.00018   0.00006  -0.00012   2.10005
   A12        2.09177   0.00004   0.00008   0.00003   0.00011   2.09188
   A13        2.11093  -0.00001  -0.00003  -0.00003  -0.00006   2.11086
   A14        2.06306   0.00003  -0.00003   0.00006   0.00003   2.06309
   A15        2.10913  -0.00002   0.00006  -0.00003   0.00004   2.10916
   A16        2.10324   0.00000  -0.00008   0.00004  -0.00004   2.10320
   A17        2.08952   0.00003   0.00002   0.00003   0.00005   2.08957
   A18        2.09002  -0.00003   0.00006  -0.00007  -0.00001   2.09001
   A19        2.10631  -0.00003   0.00016  -0.00007   0.00009   2.10640
   A20        2.11632   0.00003   0.00006  -0.00022  -0.00016   2.11616
   A21        2.06054  -0.00000  -0.00022   0.00029   0.00006   2.06060
   A22        2.08088  -0.00001  -0.00052   0.00021  -0.00031   2.08057
   A23        2.08033   0.00005   0.00061  -0.00037   0.00024   2.08057
   A24        2.12196  -0.00003  -0.00008   0.00016   0.00008   2.12204
   A25        2.10250   0.00010   0.00062  -0.00018   0.00044   2.10294
   A26        2.13538  -0.00010  -0.00031   0.00023  -0.00007   2.13532
   A27        2.04529  -0.00001  -0.00031  -0.00005  -0.00037   2.04492
   A28        2.08698  -0.00004  -0.00002   0.00000  -0.00002   2.08696
   A29        2.06480   0.00006  -0.00023   0.00026   0.00003   2.06483
   A30        2.13140  -0.00002   0.00026  -0.00026  -0.00000   2.13139
   A31        2.14319  -0.00001  -0.00009  -0.00013  -0.00021   2.14298
   A32        2.08535   0.00000   0.00015  -0.00006   0.00010   2.08545
   A33        2.05423   0.00001  -0.00005   0.00017   0.00012   2.05435
   A34        2.05968   0.00002   0.00015   0.00003   0.00018   2.05986
   A35        2.11033  -0.00002   0.00002  -0.00012  -0.00010   2.11023
   A36        2.11318   0.00000  -0.00017   0.00010  -0.00008   2.11310
   A37        2.11089   0.00000   0.00019  -0.00009   0.00009   2.11098
   A38        2.09632   0.00002  -0.00004   0.00002  -0.00003   2.09629
   A39        2.07558  -0.00002  -0.00014   0.00008  -0.00006   2.07552
   A40        2.11173  -0.00006  -0.00063   0.00027  -0.00036   2.11137
   A41        2.10631   0.00003   0.00047  -0.00008   0.00039   2.10669
   A42        2.06514   0.00003   0.00016  -0.00019  -0.00003   2.06511
   A43        2.13287   0.00009   0.00058   0.00028   0.00088   2.13376
   A44        2.16748  -0.00005   0.00015   0.00004   0.00022   2.16769
   A45        2.27603  -0.00032   0.00224  -0.00166   0.00058   2.27661
   A46        1.98207  -0.00004  -0.00047  -0.00029  -0.00074   1.98132
   A47        1.87286   0.00024  -0.00225   0.00140  -0.00082   1.87204
   A48        2.06263  -0.00012  -0.00048  -0.00035  -0.00084   2.06179
   A49        2.12414   0.00008  -0.00001   0.00071   0.00071   2.12485
   A50        2.09640   0.00005   0.00049  -0.00036   0.00013   2.09654
   A51        2.10952   0.00002   0.00008   0.00009   0.00016   2.10968
   A52        2.08259  -0.00003  -0.00004   0.00006   0.00002   2.08261
   A53        2.09098   0.00000  -0.00003  -0.00014  -0.00016   2.09082
   A54        2.08435   0.00004  -0.00002   0.00029   0.00027   2.08462
   A55        2.07156  -0.00003  -0.00047   0.00029  -0.00018   2.07138
   A56        2.07383   0.00000  -0.00007  -0.00002  -0.00009   2.07374
   A57        2.13776   0.00002   0.00054  -0.00028   0.00026   2.13802
   A58        2.14022  -0.00001   0.00041  -0.00022   0.00018   2.14040
   A59        2.07051   0.00000  -0.00044   0.00033  -0.00011   2.07040
   A60        2.07211   0.00001  -0.00001  -0.00008  -0.00009   2.07202
   A61        2.06568   0.00003  -0.00036   0.00021  -0.00016   2.06552
   A62        2.09983  -0.00000  -0.00011   0.00018   0.00007   2.09990
   A63        2.11768  -0.00003   0.00048  -0.00038   0.00009   2.11777
   A64        2.10991  -0.00001  -0.00002   0.00003   0.00001   2.10992
   A65        2.04664   0.00002  -0.00037   0.00026  -0.00011   2.04653
   A66        2.12623  -0.00001   0.00039  -0.00029   0.00011   2.12633
   A67        2.11147  -0.00000  -0.00025   0.00008  -0.00016   2.11130
   A68        2.11590  -0.00003  -0.00008  -0.00001  -0.00009   2.11581
   A69        2.05582   0.00003   0.00033  -0.00007   0.00025   2.05607
   A70        2.10960  -0.00000  -0.00015   0.00009  -0.00006   2.10954
   A71        2.11708  -0.00002  -0.00015  -0.00005  -0.00020   2.11688
   A72        2.05651   0.00002   0.00030  -0.00004   0.00026   2.05676
   A73        2.11418  -0.00001  -0.00015   0.00013  -0.00002   2.11416
   A74        2.11238  -0.00003   0.00016  -0.00019  -0.00003   2.11235
   A75        2.05663   0.00003  -0.00001   0.00006   0.00005   2.05668
   A76        2.11628  -0.00002  -0.00016   0.00000  -0.00016   2.11612
   A77        2.08777   0.00003   0.00007  -0.00000   0.00006   2.08783
   A78        2.07825  -0.00001   0.00011   0.00000   0.00011   2.07836
   A79        2.09898   0.00001  -0.00009   0.00005  -0.00004   2.09894
   A80        2.09815  -0.00000   0.00021  -0.00006   0.00015   2.09830
   A81        2.08582  -0.00001  -0.00013   0.00002  -0.00011   2.08571
   A82        2.07912  -0.00000   0.00019  -0.00007   0.00012   2.07924
   A83        2.10251   0.00000  -0.00014   0.00008  -0.00006   2.10246
   A84        2.10155   0.00000  -0.00005  -0.00001  -0.00007   2.10149
   A85        2.09837   0.00001  -0.00010   0.00004  -0.00005   2.09832
   A86        2.08520  -0.00001  -0.00012   0.00002  -0.00010   2.08509
   A87        2.09928  -0.00000   0.00022  -0.00006   0.00016   2.09944
   A88        2.11690  -0.00001  -0.00015   0.00001  -0.00014   2.11677
   A89        2.08767   0.00002   0.00004  -0.00003   0.00002   2.08769
   A90        2.07747  -0.00001   0.00012   0.00001   0.00013   2.07760
   A91        2.11706  -0.00002  -0.00017   0.00002  -0.00015   2.11691
   A92        2.08721   0.00002  -0.00002   0.00002   0.00000   2.08721
   A93        2.07799   0.00000   0.00021  -0.00006   0.00016   2.07815
   A94        2.09870   0.00001  -0.00006   0.00004  -0.00002   2.09867
   A95        2.09899   0.00001   0.00017  -0.00005   0.00013   2.09912
   A96        2.08524  -0.00001  -0.00011   0.00001  -0.00010   2.08514
   A97        2.07888   0.00000   0.00012  -0.00005   0.00007   2.07895
   A98        2.10226  -0.00001  -0.00004  -0.00001  -0.00005   2.10221
   A99        2.10205   0.00000  -0.00009   0.00006  -0.00003   2.10202
   A100       2.09859   0.00000  -0.00006   0.00003  -0.00002   2.09856
   A101       2.08513  -0.00001  -0.00008   0.00000  -0.00008   2.08505
   A102       2.09915   0.00000   0.00013  -0.00003   0.00011   2.09926
   A103       2.11715  -0.00002  -0.00016   0.00002  -0.00014   2.11701
   A104       2.08684   0.00002  -0.00000   0.00002   0.00002   2.08686
   A105       2.07817   0.00000   0.00019  -0.00005   0.00013   2.07830
   A106       2.11620  -0.00002   0.00001  -0.00005  -0.00005   2.11615
   A107       2.09090   0.00001   0.00004  -0.00003   0.00000   2.09090
   A108       2.07507   0.00001  -0.00004   0.00010   0.00006   2.07512
   A109       2.09908   0.00001  -0.00006   0.00004  -0.00003   2.09906
   A110       2.09803  -0.00000   0.00020  -0.00007   0.00013   2.09816
   A111       2.08583  -0.00001  -0.00013   0.00003  -0.00010   2.08573
   A112       2.07873  -0.00000   0.00009  -0.00002   0.00008   2.07881
   A113       2.10258   0.00000   0.00006  -0.00001   0.00005   2.10263
   A114       2.10187   0.00000  -0.00015   0.00003  -0.00012   2.10174
   A115       2.09872   0.00001  -0.00001  -0.00001  -0.00002   2.09869
   A116       2.08536  -0.00001  -0.00019   0.00003  -0.00016   2.08521
   A117       2.09877   0.00000   0.00020  -0.00001   0.00019   2.09896
   A118       2.11681  -0.00002  -0.00003  -0.00001  -0.00003   2.11678
   A119       2.08696   0.00000   0.00006  -0.00009  -0.00004   2.08692
   A120       2.07842   0.00002  -0.00003   0.00011   0.00008   2.07850
   A121       2.19612   0.00000   0.00010   0.00002   0.00012   2.19624
   A122       2.19651  -0.00001   0.00015  -0.00008   0.00007   2.19658
   A123       1.89055   0.00001  -0.00025   0.00006  -0.00019   1.89036
   A124       2.19651  -0.00000   0.00009  -0.00001   0.00008   2.19659
   A125       2.19625  -0.00000   0.00009  -0.00004   0.00005   2.19630
   A126       1.89043   0.00001  -0.00018   0.00005  -0.00014   1.89029
   A127       2.19603   0.00000   0.00003  -0.00001   0.00002   2.19605
   A128       2.19666  -0.00000   0.00017  -0.00008   0.00009   2.19676
   A129       1.89049  -0.00000  -0.00020   0.00008  -0.00011   1.89038
   A130       1.90069   0.00001   0.00001   0.00003   0.00004   1.90074
   A131       2.26077  -0.00002  -0.00023   0.00006  -0.00018   2.26059
   A132       2.12106   0.00001   0.00020  -0.00007   0.00013   2.12119
   A133       1.86644  -0.00001   0.00009  -0.00006   0.00003   1.86647
   A134       2.08708  -0.00000  -0.00003  -0.00002  -0.00005   2.08702
   A135       2.32958   0.00001  -0.00005   0.00009   0.00003   2.32961
   A136       1.86631  -0.00001   0.00009  -0.00005   0.00003   1.86635
   A137       2.32978   0.00001  -0.00006   0.00009   0.00002   2.32981
   A138       2.08700  -0.00000  -0.00001  -0.00004  -0.00005   2.08695
   A139       1.90090   0.00001  -0.00000   0.00003   0.00003   1.90093
   A140       2.26109  -0.00002  -0.00017   0.00002  -0.00015   2.26094
   A141       2.12053   0.00001   0.00016  -0.00004   0.00012   2.12065
   A142       1.90092   0.00001   0.00001   0.00003   0.00003   1.90095
   A143       2.26077  -0.00002  -0.00017   0.00005  -0.00013   2.26065
   A144       2.12086   0.00001   0.00013  -0.00005   0.00008   2.12094
   A145       1.86620  -0.00001   0.00012  -0.00006   0.00006   1.86626
   A146       2.08689  -0.00000   0.00004  -0.00004  -0.00000   2.08689
   A147       2.33000   0.00002  -0.00015   0.00010  -0.00005   2.32995
   A148       1.86626  -0.00001   0.00012  -0.00007   0.00005   1.86631
   A149       2.32993   0.00002  -0.00015   0.00012  -0.00003   2.32989
   A150       2.08691  -0.00000   0.00004  -0.00005  -0.00001   2.08690
   A151       1.90085   0.00001   0.00000   0.00004   0.00004   1.90089
   A152       2.26075  -0.00003  -0.00015   0.00000  -0.00015   2.26060
   A153       2.12095   0.00002   0.00012  -0.00003   0.00009   2.12105
   A154       1.90067   0.00000   0.00001   0.00000   0.00001   1.90069
   A155       2.26093   0.00000  -0.00010  -0.00000  -0.00011   2.26082
   A156       2.12091  -0.00000   0.00009   0.00001   0.00010   2.12101
   A157       1.86650  -0.00000   0.00008  -0.00004   0.00003   1.86653
   A158       2.08692   0.00001  -0.00001  -0.00003  -0.00004   2.08688
   A159       2.32967  -0.00000  -0.00005   0.00007   0.00002   2.32969
   A160       1.86656  -0.00000   0.00007  -0.00004   0.00004   1.86660
   A161       2.32953  -0.00000  -0.00005   0.00007   0.00002   2.32955
   A162       2.08700   0.00001  -0.00001  -0.00003  -0.00005   2.08696
   A163       1.90055   0.00001   0.00003  -0.00000   0.00003   1.90058
   A164       2.26092  -0.00000  -0.00012  -0.00002  -0.00014   2.26078
   A165       2.12104  -0.00000   0.00008   0.00003   0.00012   2.12116
   A166       2.07993  -0.00001  -0.00010   0.00007  -0.00004   2.07990
   A167       2.09985   0.00003   0.00026  -0.00009   0.00017   2.10002
   A168       2.10339  -0.00002  -0.00016   0.00002  -0.00014   2.10326
   A169       2.10370   0.00001   0.00013  -0.00006   0.00007   2.10377
   A170       2.09211  -0.00001  -0.00026   0.00012  -0.00014   2.09197
   A171       2.08736   0.00001   0.00013  -0.00006   0.00007   2.08743
   A172       2.11973  -0.00002  -0.00015   0.00006  -0.00010   2.11963
   A173       2.08529  -0.00000   0.00005  -0.00004   0.00001   2.08531
   A174       2.07816   0.00002   0.00010  -0.00002   0.00008   2.07824
   A175       2.05527   0.00001  -0.00003   0.00002  -0.00001   2.05526
   A176       2.11831  -0.00001  -0.00007  -0.00000  -0.00007   2.11824
   A177       2.10957  -0.00000   0.00010  -0.00001   0.00009   2.10966
   A178       2.05465   0.00001  -0.00005   0.00003  -0.00002   2.05463
   A179       2.11957  -0.00001  -0.00008  -0.00000  -0.00008   2.11949
   A180       2.10893  -0.00000   0.00014  -0.00003   0.00011   2.10904
   A181       2.11997  -0.00002  -0.00016   0.00006  -0.00010   2.11988
   A182       2.07761   0.00002   0.00009  -0.00001   0.00009   2.07770
   A183       2.08559  -0.00000   0.00007  -0.00006   0.00001   2.08560
   A184       2.10391   0.00001   0.00014  -0.00007   0.00008   2.10398
   A185       2.08713   0.00001   0.00012  -0.00006   0.00006   2.08720
   A186       2.09213  -0.00001  -0.00026   0.00012  -0.00014   2.09199
   A187       2.07949  -0.00001  -0.00012   0.00008  -0.00004   2.07945
   A188       2.10006   0.00003   0.00026  -0.00008   0.00018   2.10024
   A189       2.10363  -0.00002  -0.00015   0.00001  -0.00014   2.10349
   A190       2.07971  -0.00001  -0.00012   0.00007  -0.00005   2.07966
   A191       2.09999   0.00003   0.00025  -0.00008   0.00017   2.10016
   A192       2.10347  -0.00002  -0.00013   0.00001  -0.00012   2.10335
   A193       2.10385   0.00001   0.00010  -0.00005   0.00005   2.10390
   A194       2.09208  -0.00001  -0.00024   0.00011  -0.00013   2.09195
   A195       2.08724   0.00001   0.00013  -0.00006   0.00007   2.08732
   A196       2.11987  -0.00002  -0.00014   0.00005  -0.00009   2.11978
   A197       2.08533  -0.00000   0.00007  -0.00005   0.00002   2.08535
   A198       2.07798   0.00002   0.00008  -0.00001   0.00007   2.07805
   A199       2.05487   0.00001  -0.00002   0.00001  -0.00001   2.05486
   A200       2.11870  -0.00001  -0.00003  -0.00003  -0.00005   2.11865
   A201       2.10958   0.00000   0.00005   0.00002   0.00007   2.10964
   A202       2.05502   0.00001  -0.00003   0.00002  -0.00000   2.05502
   A203       2.11839  -0.00001  -0.00003  -0.00002  -0.00004   2.11835
   A204       2.10974   0.00000   0.00005  -0.00000   0.00005   2.10979
   A205       2.11978  -0.00002  -0.00014   0.00005  -0.00009   2.11969
   A206       2.07818   0.00002   0.00007  -0.00000   0.00007   2.07824
   A207       2.08523  -0.00000   0.00007  -0.00005   0.00002   2.08524
   A208       2.10383   0.00001   0.00010  -0.00005   0.00005   2.10388
   A209       2.08723   0.00001   0.00013  -0.00006   0.00007   2.08730
   A210       2.09211  -0.00001  -0.00023   0.00011  -0.00012   2.09199
   A211       2.07979  -0.00001  -0.00012   0.00007  -0.00005   2.07974
   A212       2.09997   0.00003   0.00024  -0.00007   0.00017   2.10014
   A213       2.10341  -0.00002  -0.00013   0.00000  -0.00012   2.10329
   A214       2.07958  -0.00001  -0.00007   0.00003  -0.00004   2.07954
   A215       2.10004   0.00002   0.00029  -0.00011   0.00018   2.10022
   A216       2.10355  -0.00002  -0.00022   0.00009  -0.00014   2.10341
   A217       2.10391   0.00000   0.00013  -0.00006   0.00008   2.10398
   A218       2.09211  -0.00001  -0.00027   0.00012  -0.00015   2.09195
   A219       2.08715   0.00001   0.00014  -0.00006   0.00008   2.08723
   A220       2.11984  -0.00002  -0.00019   0.00010  -0.00010   2.11975
   A221       2.08553  -0.00000   0.00002   0.00000   0.00002   2.08556
   A222       2.07780   0.00002   0.00017  -0.00010   0.00007   2.07788
   A223       2.05478   0.00001   0.00004  -0.00006  -0.00002   2.05476
   A224       2.11949  -0.00001  -0.00011   0.00003  -0.00008   2.11940
   A225       2.10889  -0.00001   0.00007   0.00003   0.00010   2.10898
   A226       2.05497   0.00001   0.00003  -0.00005  -0.00001   2.05496
   A227       2.11894  -0.00000  -0.00008   0.00002  -0.00006   2.11889
   A228       2.10923  -0.00001   0.00004   0.00003   0.00007   2.10930
   A229       2.11975  -0.00001  -0.00019   0.00010  -0.00009   2.11966
   A230       2.07800   0.00002   0.00016  -0.00009   0.00007   2.07807
   A231       2.08544  -0.00000   0.00002  -0.00000   0.00002   2.08545
   A232       2.10384   0.00000   0.00014  -0.00007   0.00007   2.10391
   A233       2.08729   0.00001   0.00014  -0.00006   0.00008   2.08737
   A234       2.09204  -0.00001  -0.00028   0.00013  -0.00015   2.09189
   A235       2.07977  -0.00001  -0.00008   0.00004  -0.00004   2.07973
   A236       2.09995   0.00002   0.00030  -0.00012   0.00018   2.10014
   A237       2.10345  -0.00002  -0.00023   0.00008  -0.00014   2.10330
    D1       -0.00495   0.00000   0.00059  -0.00030   0.00029  -0.00466
    D2        3.10708  -0.00000   0.00063  -0.00040   0.00024   3.10732
    D3        3.13809   0.00000   0.00058  -0.00022   0.00035   3.13844
    D4       -0.03307  -0.00000   0.00062  -0.00032   0.00030  -0.03277
    D5        0.00249   0.00000  -0.00095   0.00027  -0.00068   0.00181
    D6        3.11337  -0.00000  -0.00100   0.00058  -0.00042   3.11295
    D7       -3.14055  -0.00000  -0.00094   0.00019  -0.00075  -3.14129
    D8       -0.02967  -0.00000  -0.00099   0.00050  -0.00048  -0.03015
    D9        2.49493   0.00001  -0.00247   0.00107  -0.00140   2.49353
   D10       -0.64754   0.00001  -0.00234   0.00098  -0.00136  -0.64890
   D11       -0.64518   0.00001  -0.00248   0.00115  -0.00133  -0.64652
   D12        2.49553   0.00001  -0.00236   0.00107  -0.00129   2.49424
   D13        0.00342  -0.00000   0.00050   0.00009   0.00060   0.00402
   D14        3.13402  -0.00000   0.00166  -0.00019   0.00148   3.13550
   D15       -3.10800   0.00000   0.00047   0.00018   0.00065  -3.10735
   D16        0.02260   0.00000   0.00163  -0.00010   0.00154   0.02413
   D17        0.00056   0.00000  -0.00126   0.00015  -0.00110  -0.00054
   D18       -3.13687   0.00000  -0.00175  -0.00011  -0.00186  -3.13873
   D19       -3.13034   0.00000  -0.00238   0.00043  -0.00196  -3.13230
   D20        0.01541   0.00000  -0.00288   0.00017  -0.00271   0.01270
   D21        3.12738   0.00004   0.00162   0.00127   0.00290   3.13028
   D22       -0.00783   0.00004   0.00275   0.00113   0.00388  -0.00395
   D23       -0.02539   0.00004   0.00280   0.00099   0.00379  -0.02160
   D24        3.12258   0.00004   0.00393   0.00084   0.00478   3.12736
   D25       -0.00292  -0.00000   0.00093  -0.00019   0.00074  -0.00218
   D26       -3.13192  -0.00000   0.00083  -0.00040   0.00043  -3.13148
   D27        3.13454  -0.00000   0.00142   0.00007   0.00149   3.13603
   D28        0.00554  -0.00000   0.00132  -0.00014   0.00118   0.00672
   D29        0.01214  -0.00005  -0.00130  -0.00114  -0.00244   0.00970
   D30       -3.13388  -0.00004  -0.00063  -0.00051  -0.00116  -3.13503
   D31       -3.12529  -0.00005  -0.00179  -0.00140  -0.00319  -3.12848
   D32        0.01187  -0.00004  -0.00112  -0.00077  -0.00191   0.00997
   D33        0.00137  -0.00000   0.00020  -0.00003   0.00017   0.00154
   D34       -3.10950   0.00000   0.00025  -0.00035  -0.00009  -3.10960
   D35        3.13003  -0.00000   0.00030   0.00019   0.00049   3.13052
   D36        0.01916   0.00000   0.00035  -0.00013   0.00022   0.01939
   D37        0.00720  -0.00004   0.00149  -0.00114   0.00036   0.00756
   D38       -3.14075  -0.00000   0.00225  -0.00054   0.00172  -3.13903
   D39       -3.14058  -0.00004   0.00040  -0.00100  -0.00060  -3.14118
   D40       -0.00534  -0.00000   0.00115  -0.00039   0.00076  -0.00458
   D41        3.13941   0.00001  -0.00210   0.00089  -0.00121   3.13820
   D42        0.02924   0.00001  -0.00259   0.00128  -0.00131   0.02793
   D43        0.00404   0.00001  -0.00099   0.00075  -0.00025   0.00379
   D44       -3.10613   0.00001  -0.00149   0.00114  -0.00035  -3.10648
   D45        0.02071  -0.00001  -0.00572   0.00016  -0.00557   0.01514
   D46       -3.12598   0.00001  -0.00440   0.00033  -0.00407  -3.13006
   D47       -3.11437  -0.00004  -0.00650  -0.00046  -0.00696  -3.12133
   D48        0.02212  -0.00003  -0.00518  -0.00029  -0.00547   0.01665
   D49        0.00427  -0.00001  -0.00052  -0.00033  -0.00085   0.00343
   D50       -3.13292  -0.00004  -0.00008   0.00015   0.00007  -3.13285
   D51        3.13936   0.00003   0.00025   0.00029   0.00054   3.13990
   D52        0.00217  -0.00000   0.00069   0.00077   0.00146   0.00363
   D53       -0.03053   0.00005   0.00565   0.00098   0.00664  -0.02389
   D54        3.11566   0.00004   0.00496   0.00033   0.00531   3.12097
   D55        3.11591   0.00004   0.00440   0.00082   0.00522   3.12113
   D56       -0.02108   0.00003   0.00371   0.00017   0.00388  -0.01720
   D57       -3.11768  -0.00006  -0.00507  -0.00051  -0.00558  -3.12326
   D58        0.06885  -0.00012  -0.01613  -0.00141  -0.01754   0.05131
   D59        0.08899  -0.00011  -0.02160  -0.00110  -0.02264   0.06635
   D60        0.01897  -0.00005  -0.00379  -0.00035  -0.00413   0.01484
   D61       -3.07769  -0.00011  -0.01485  -0.00125  -0.01609  -3.09377
   D62       -3.05754  -0.00009  -0.02031  -0.00093  -0.02119  -3.07874
   D63       -3.13384   0.00000  -0.00105  -0.00054  -0.00159  -3.13543
   D64        0.00321   0.00001  -0.00037   0.00010  -0.00027   0.00294
   D65       -0.00145  -0.00000   0.00017  -0.00036  -0.00019  -0.00164
   D66        3.14150   0.00001   0.00043  -0.00027   0.00017  -3.14152
   D67        3.10925  -0.00001   0.00065  -0.00075  -0.00010   3.10915
   D68       -0.03099   0.00000   0.00092  -0.00066   0.00026  -0.03073
   D69        0.00017  -0.00001   0.00052  -0.00040   0.00012   0.00030
   D70        3.11136  -0.00000   0.00057  -0.00022   0.00034   3.11170
   D71        3.14041  -0.00002   0.00025  -0.00049  -0.00024   3.14017
   D72       -0.03159  -0.00001   0.00030  -0.00031  -0.00001  -0.03161
   D73        2.51817   0.00001  -0.00260   0.00107  -0.00152   2.51665
   D74       -0.62492   0.00001  -0.00246   0.00103  -0.00143  -0.62634
   D75       -0.62203   0.00002  -0.00232   0.00117  -0.00115  -0.62318
   D76        2.51807   0.00002  -0.00218   0.00112  -0.00106   2.51701
   D77       -0.00165   0.00001  -0.00034   0.00074   0.00040  -0.00125
   D78        3.13564   0.00004  -0.00077   0.00027  -0.00049   3.13515
   D79       -3.11319   0.00001  -0.00039   0.00057   0.00018  -3.11301
   D80        0.02411   0.00004  -0.00082   0.00010  -0.00071   0.02339
   D81       -0.00039   0.00004   0.00074   0.00026   0.00099   0.00060
   D82        3.13711   0.00004   0.00097   0.00036   0.00131   3.13842
   D83        3.10065   0.00009   0.01069   0.00108   0.01179   3.11244
   D84       -0.04503   0.00009   0.01092   0.00118   0.01211  -0.03292
   D85        3.08931   0.00005   0.01392   0.00063   0.01462   3.10393
   D86       -0.05638   0.00005   0.01415   0.00073   0.01494  -0.04144
   D87       -0.01844   0.00000   0.00278   0.00003   0.00282  -0.01562
   D88        3.13777  -0.00000   0.00196  -0.00025   0.00171   3.13947
   D89        3.12718   0.00000   0.00256  -0.00008   0.00250   3.12968
   D90        0.00020  -0.00001   0.00174  -0.00035   0.00139   0.00159
   D91       -3.13445  -0.00000  -0.00146  -0.00004  -0.00150  -3.13595
   D92       -0.00115   0.00000  -0.00199  -0.00003  -0.00202  -0.00316
   D93        0.00297   0.00000  -0.00123   0.00006  -0.00118   0.00179
   D94        3.13627   0.00001  -0.00176   0.00007  -0.00169   3.13458
   D95        0.01661  -0.00003  -0.00288  -0.00020  -0.00308   0.01353
   D96       -3.13967  -0.00002  -0.00206   0.00008  -0.00196   3.14155
   D97       -0.00375   0.00001  -0.00089   0.00046  -0.00043  -0.00418
   D98        3.10759   0.00001  -0.00104   0.00070  -0.00034   3.10725
   D99       -3.13089  -0.00000  -0.00170   0.00019  -0.00153  -3.13242
   D100      -0.01954   0.00000  -0.00185   0.00042  -0.00144  -0.02098
   D101      -0.00276   0.00000  -0.00013   0.00014   0.00001  -0.00275
   D102       3.10989   0.00001  -0.00169   0.00130  -0.00038   3.10951
   D103      -3.13575  -0.00000   0.00043   0.00013   0.00055  -3.13520
   D104      -0.02309   0.00000  -0.00113   0.00129   0.00015  -0.02294
   D105      -0.00069  -0.00000   0.00097  -0.00004   0.00093   0.00024
   D106       3.13936   0.00000   0.00163  -0.00056   0.00106   3.14043
   D107      -3.11333  -0.00000   0.00253  -0.00121   0.00133  -3.11200
   D108       0.02673  -0.00000   0.00319  -0.00173   0.00146   0.02819
   D109       0.00398  -0.00000  -0.00043  -0.00027  -0.00070   0.00328
   D110      -3.10597  -0.00001  -0.00026  -0.00053  -0.00079  -3.10676
   D111      -3.13606  -0.00001  -0.00110   0.00026  -0.00083  -3.13689
   D112       0.03718  -0.00001  -0.00092   0.00000  -0.00092   0.03625
   D113       0.61060   0.00004  -0.00188   0.00090  -0.00098   0.60962
   D114      -2.53406   0.00004  -0.00225   0.00098  -0.00126  -2.53532
   D115      -2.53257   0.00004  -0.00121   0.00036  -0.00085  -2.53342
   D116       0.60595   0.00004  -0.00157   0.00045  -0.00113   0.60482
   D117      -3.13070   0.00000   0.00029  -0.00013   0.00015  -3.13055
   D118      -0.03573   0.00000   0.00082  -0.00030   0.00052  -0.03521
   D119       0.01174   0.00000   0.00016  -0.00005   0.00011   0.01185
   D120       3.10671   0.00000   0.00070  -0.00022   0.00048   3.10719
   D121      -3.13592   0.00000   0.00002   0.00009   0.00011  -3.13581
   D122      -0.04337   0.00000   0.00057  -0.00015   0.00042  -0.04295
   D123       0.00483   0.00000   0.00015   0.00000   0.00015   0.00497
   D124       3.09737   0.00000   0.00069  -0.00023   0.00046   3.09783
   D125      -3.13029   0.00000   0.00040  -0.00020   0.00019  -3.13009
   D126      -0.03446   0.00000   0.00072  -0.00016   0.00056  -0.03390
   D127       0.01275   0.00000   0.00026  -0.00016   0.00010   0.01285
   D128       3.10858   0.00000   0.00058  -0.00012   0.00047   3.10904
   D129      -3.13464  -0.00000   0.00003   0.00001   0.00005  -3.13459
   D130      -0.04476  -0.00000   0.00032  -0.00004   0.00028  -0.04448
   D131       0.00550   0.00000   0.00017  -0.00003   0.00014   0.00564
   D132       3.09538   0.00000   0.00046  -0.00008   0.00037   3.09576
   D133       3.12573  -0.00000  -0.00072   0.00030  -0.00041   3.12531
   D134       0.03324  -0.00001  -0.00070   0.00002  -0.00068   0.03256
   D135      -0.01288  -0.00000  -0.00037   0.00022  -0.00014  -0.01303
   D136      -3.10537  -0.00001  -0.00035  -0.00006  -0.00041  -3.10579
   D137       3.14026  -0.00000   0.00044  -0.00028   0.00016   3.14042
   D138       0.04693  -0.00001   0.00053  -0.00049   0.00004   0.04697
   D139      -0.00431  -0.00000   0.00009  -0.00020  -0.00011  -0.00442
   D140      -3.09764  -0.00001   0.00019  -0.00042  -0.00023  -3.09787
   D141      -0.01956  -0.00000  -0.00040   0.00018  -0.00022  -0.01978
   D142       3.09844   0.00001  -0.00031   0.00039   0.00008   3.09852
   D143      -3.11563  -0.00000  -0.00071   0.00014  -0.00058  -3.11621
   D144       0.00236   0.00001  -0.00063   0.00035  -0.00028   0.00209
   D145       0.00790   0.00000   0.00010  -0.00000   0.00009   0.00799
   D146      -3.13151   0.00000   0.00001   0.00004   0.00005  -3.13145
   D147      -3.11027  -0.00001   0.00001  -0.00022  -0.00021  -3.11047
   D148       0.03351  -0.00001  -0.00008  -0.00017  -0.00025   0.03327
   D149       0.01009   0.00000   0.00033  -0.00018   0.00014   0.01024
   D150      -3.10348  -0.00001   0.00026  -0.00032  -0.00007  -3.10355
   D151      -3.13368   0.00000   0.00041  -0.00023   0.00018  -3.13350
   D152       0.03592  -0.00001   0.00034  -0.00037  -0.00003   0.03590
   D153       0.90293   0.00005  -0.00020   0.00060   0.00040   0.90333
   D154      -2.23890   0.00005   0.00036   0.00055   0.00092  -2.23798
   D155      -2.23644   0.00005  -0.00028   0.00064   0.00036  -2.23608
   D156       0.90491   0.00005   0.00028   0.00060   0.00087   0.90578
   D157      -0.01693  -0.00000  -0.00047   0.00020  -0.00026  -0.01720
   D158      -3.10711  -0.00000  -0.00075   0.00025  -0.00049  -3.10760
   D159       3.09642   0.00001  -0.00040   0.00034  -0.00006   3.09636
   D160       0.00624   0.00001  -0.00068   0.00040  -0.00028   0.00596
   D161      -0.01788  -0.00000  -0.00035   0.00010  -0.00026  -0.01814
   D162       3.09884   0.00001  -0.00044   0.00034  -0.00010   3.09874
   D163      -3.11309  -0.00001  -0.00088   0.00026  -0.00062  -3.11371
   D164       0.00362   0.00001  -0.00096   0.00051  -0.00046   0.00317
   D165       0.00723   0.00000   0.00024  -0.00010   0.00014   0.00737
   D166      -3.13316   0.00000   0.00015   0.00000   0.00015  -3.13301
   D167      -3.10968  -0.00001   0.00031  -0.00034  -0.00003  -3.10971
   D168       0.03311  -0.00001   0.00023  -0.00024  -0.00001   0.03310
   D169       0.00909   0.00000   0.00007   0.00006   0.00012   0.00921
   D170      -3.10538  -0.00001   0.00027  -0.00025   0.00002  -3.10535
   D171      -3.13371   0.00000   0.00015  -0.00005   0.00011  -3.13360
   D172       0.03502  -0.00001   0.00036  -0.00035   0.00001   0.03502
   D173      -2.22795   0.00006  -0.00160   0.00095  -0.00065  -2.22860
   D174       0.91277   0.00006  -0.00171   0.00094  -0.00077   0.91201
   D175       0.91485   0.00006  -0.00169   0.00105  -0.00063   0.91422
   D176      -2.22760   0.00006  -0.00180   0.00104  -0.00075  -2.22836
   D177      -0.01524  -0.00000  -0.00026  -0.00001  -0.00027  -0.01551
   D178      -3.10803  -0.00001  -0.00080   0.00022  -0.00057  -3.10860
   D179       3.09900   0.00001  -0.00047   0.00030  -0.00017   3.09883
   D180       0.00621   0.00001  -0.00100   0.00053  -0.00047   0.00574
   D181       0.01937   0.00001   0.00033  -0.00012   0.00021   0.01958
   D182      -3.09836  -0.00000   0.00007  -0.00022  -0.00016  -3.09852
   D183       3.11230   0.00002   0.00031   0.00016   0.00048   3.11277
   D184      -0.00544   0.00000   0.00005   0.00006   0.00011  -0.00533
   D185      -0.00841  -0.00000  -0.00001  -0.00002  -0.00002  -0.00844
   D186       3.13069  -0.00000  -0.00001   0.00001  -0.00000   3.13069
   D187       3.10949   0.00001   0.00026   0.00009   0.00035   3.10983
   D188      -0.03459   0.00001   0.00026   0.00011   0.00037  -0.03423
   D189      -0.00854  -0.00000  -0.00027   0.00004  -0.00023  -0.00877
   D190       3.10516   0.00001  -0.00019   0.00030   0.00011   3.10526
   D191       3.13554  -0.00000  -0.00026   0.00001  -0.00025   3.13529
   D192      -0.03395   0.00001  -0.00018   0.00027   0.00009  -0.03386
   D193       2.24100  -0.00002  -0.00064   0.00011  -0.00053   2.24047
   D194      -0.90192  -0.00002  -0.00002   0.00003   0.00001  -0.90192
   D195      -0.90311  -0.00002  -0.00064   0.00014  -0.00051  -0.90362
   D196       2.23715  -0.00002  -0.00003   0.00005   0.00003   2.23718
   D197       0.01501   0.00001   0.00023   0.00008   0.00030   0.01531
   D198       3.10857   0.00002   0.00013   0.00028   0.00041   3.10898
   D199      -3.09847  -0.00000   0.00015  -0.00019  -0.00003  -3.09850
   D200      -0.00491   0.00000   0.00006   0.00002   0.00008  -0.00483
   D201       3.14001  -0.00000  -0.00017   0.00008  -0.00009   3.13992
   D202       0.03695  -0.00001   0.00080  -0.00058   0.00023   0.03717
   D203      -0.00085   0.00000  -0.00008   0.00009   0.00002  -0.00083
   D204      -3.10391  -0.00001   0.00090  -0.00057   0.00033  -3.10358
   D205       3.14144  -0.00000   0.00004  -0.00000   0.00004   3.14149
   D206       0.03819  -0.00001   0.00100  -0.00061   0.00039   0.03858
   D207      -0.00089  -0.00000  -0.00005  -0.00001  -0.00006  -0.00095
   D208      -3.10414  -0.00001   0.00091  -0.00062   0.00029  -3.10385
   D209       3.14040  -0.00000   0.00037   0.00001   0.00038   3.14079
   D210       0.03813  -0.00001   0.00096  -0.00052   0.00045   0.03858
   D211      -0.00098  -0.00000  -0.00011   0.00005  -0.00006  -0.00104
   D212      -3.10326  -0.00001   0.00049  -0.00048   0.00001  -3.10325
   D213       3.14103  -0.00000  -0.00046   0.00002  -0.00045   3.14059
   D214       0.03893  -0.00001   0.00006  -0.00049  -0.00042   0.03850
   D215      -0.00076  -0.00000   0.00001  -0.00002  -0.00001  -0.00077
   D216      -3.10287  -0.00001   0.00054  -0.00052   0.00002  -3.10286
   D217       3.14148   0.00000   0.00047  -0.00011   0.00037  -3.14134
   D218      -0.03982   0.00001   0.00028   0.00028   0.00056  -0.03926
   D219       0.00102  -0.00000  -0.00006  -0.00003  -0.00009   0.00093
   D220       3.10290   0.00001  -0.00025   0.00035   0.00011   3.10301
   D221      -3.13968   0.00000  -0.00034   0.00005  -0.00030  -3.13998
   D222      -0.03756   0.00001  -0.00046   0.00037  -0.00009  -0.03764
   D223       0.00078   0.00000   0.00018  -0.00003   0.00016   0.00094
   D224       3.10290   0.00001   0.00007   0.00030   0.00037   3.10327
   D225       0.00230   0.00000   0.00016  -0.00006   0.00010   0.00239
   D226      -3.12679  -0.00001  -0.00037  -0.00008  -0.00045  -3.12724
   D227       3.10831   0.00001  -0.00039   0.00043   0.00003   3.10834
   D228      -0.02078   0.00000  -0.00092   0.00041  -0.00051  -0.02129
   D229       3.11823   0.00001   0.00003   0.00024   0.00026   3.11850
   D230      -0.01475  -0.00000  -0.00016   0.00015  -0.00001  -0.01476
   D231       0.02028  -0.00000   0.00069  -0.00036   0.00034   0.02062
   D232      -3.11270  -0.00001   0.00051  -0.00044   0.00007  -3.11263
   D233      -0.00272  -0.00000  -0.00015   0.00004  -0.00010  -0.00282
   D234       3.12376   0.00001   0.00054   0.00003   0.00057   3.12433
   D235       3.12389   0.00001   0.00048   0.00007   0.00055   3.12444
   D236      -0.03282   0.00002   0.00117   0.00005   0.00122  -0.03160
   D237       0.00604   0.00000   0.00060  -0.00018   0.00042   0.00646
   D238      -3.14072  -0.00000   0.00011  -0.00005   0.00005  -3.14067
   D239      -3.11907  -0.00001  -0.00010  -0.00021  -0.00030  -3.11937
   D240       0.01735  -0.00001  -0.00059  -0.00008  -0.00067   0.01668
   D241       0.00216   0.00000   0.00008  -0.00001   0.00007   0.00223
   D242       3.10805   0.00001  -0.00040   0.00044   0.00004   3.10809
   D243      -3.12682  -0.00001  -0.00049  -0.00000  -0.00049  -3.12731
   D244      -0.02093   0.00000  -0.00098   0.00045  -0.00052  -0.02145
   D245      -3.11871  -0.00001  -0.00012  -0.00019  -0.00031  -3.11902
   D246       0.01727  -0.00001  -0.00063  -0.00005  -0.00068   0.01659
   D247       0.00625   0.00000   0.00063  -0.00020   0.00043   0.00668
   D248      -3.14095  -0.00000   0.00013  -0.00007   0.00006  -3.14089
   D249       3.11798   0.00001   0.00014   0.00017   0.00031   3.11829
   D250      -0.01421  -0.00000   0.00002   0.00005   0.00007  -0.01415
   D251       0.02020  -0.00000   0.00072  -0.00039   0.00033   0.02054
   D252      -3.11199  -0.00001   0.00060  -0.00051   0.00010  -3.11190
   D253       0.00220   0.00000   0.00017  -0.00014   0.00003   0.00223
   D254      -3.12704  -0.00001  -0.00018  -0.00014  -0.00032  -3.12736
   D255       3.10893   0.00001  -0.00072   0.00046  -0.00026   3.10867
   D256      -0.02031   0.00000  -0.00106   0.00046  -0.00061  -0.02092
   D257       3.11834   0.00001  -0.00025   0.00037   0.00012   3.11846
   D258      -0.01441  -0.00000  -0.00034   0.00021  -0.00013  -0.01454
   D259       0.01951  -0.00000   0.00083  -0.00037   0.00046   0.01997
   D260      -3.11324  -0.00001   0.00074  -0.00052   0.00022  -3.11302
   D261      -0.00269  -0.00000  -0.00020   0.00013  -0.00006  -0.00276
   D262       3.12430   0.00001   0.00026   0.00012   0.00038   3.12468
   D263       3.12409   0.00001   0.00022   0.00014   0.00036   3.12444
   D264      -0.03211   0.00002   0.00068   0.00013   0.00081  -0.03130
   D265       0.00618   0.00000   0.00065  -0.00024   0.00041   0.00659
   D266      -3.14082  -0.00000   0.00010  -0.00007   0.00003  -3.14078
   D267      -3.11912  -0.00001   0.00019  -0.00024  -0.00005  -3.11917
   D268       0.01707  -0.00001  -0.00036  -0.00008  -0.00043   0.01664
   D269       0.00222   0.00000   0.00015  -0.00008   0.00008   0.00230
   D270       3.10913   0.00001  -0.00072   0.00048  -0.00024   3.10888
   D271      -3.12719  -0.00001  -0.00023  -0.00007  -0.00030  -3.12749
   D272      -0.02029   0.00000  -0.00110   0.00049  -0.00062  -0.02090
   D273      -3.11945  -0.00001   0.00017  -0.00025  -0.00008  -3.11954
   D274       0.01684  -0.00001  -0.00039  -0.00006  -0.00045   0.01639
   D275       0.00608   0.00000   0.00068  -0.00027   0.00041   0.00649
   D276      -3.14081  -0.00000   0.00011  -0.00007   0.00004  -3.14077
   D277       3.11863   0.00001  -0.00022   0.00031   0.00009   3.11872
   D278      -0.01416  -0.00000  -0.00028   0.00012  -0.00015  -0.01431
   D279       0.01959  -0.00000   0.00085  -0.00037   0.00048   0.02007
   D280      -3.11319  -0.00001   0.00079  -0.00056   0.00023  -3.11296
   D281      -0.00237  -0.00000  -0.00009   0.00008  -0.00001  -0.00238
   D282       3.12640   0.00001   0.00061   0.00006   0.00067   3.12707
   D283      -3.10804  -0.00001   0.00009  -0.00027  -0.00018  -3.10822
   D284       0.02073   0.00000   0.00079  -0.00029   0.00050   0.02123
   D285      -3.11776  -0.00001  -0.00026  -0.00022  -0.00048  -3.11824
   D286       0.01448  -0.00000  -0.00030   0.00000  -0.00030   0.01419
   D287      -0.02024   0.00000  -0.00047   0.00021  -0.00026  -0.02050
   D288       3.11200   0.00001  -0.00052   0.00043  -0.00008   3.11192
   D289       0.00280   0.00000   0.00020  -0.00009   0.00011   0.00290
   D290      -3.12362  -0.00001  -0.00081  -0.00002  -0.00083  -3.12445
   D291      -3.12343  -0.00001  -0.00064  -0.00007  -0.00071  -3.12414
   D292       0.03334  -0.00002  -0.00165   0.00001  -0.00164   0.03170
   D293      -0.00599  -0.00000  -0.00062   0.00016  -0.00045  -0.00644
   D294       3.14110   0.00000  -0.00015   0.00003  -0.00011   3.14099
   D295       3.11870   0.00001   0.00031   0.00013   0.00044   3.11915
   D296      -0.01739   0.00001   0.00078   0.00001   0.00079  -0.01661
   D297      -0.00222  -0.00000  -0.00024   0.00007  -0.00016  -0.00238
   D298      -3.10811  -0.00001  -0.00013  -0.00022  -0.00035  -3.10845
   D299       3.12671   0.00001   0.00061   0.00001   0.00062   3.12733
   D300       0.02082   0.00000   0.00072  -0.00028   0.00043   0.02125
   D301       3.11886   0.00001   0.00052   0.00011   0.00063   3.11949
   D302      -0.01747   0.00002   0.00102  -0.00006   0.00096  -0.01651
   D303      -0.00604  -0.00000  -0.00060   0.00020  -0.00040  -0.00644
   D304       3.14081   0.00000  -0.00009   0.00003  -0.00007   3.14075
   D305      -3.11810  -0.00001  -0.00028  -0.00020  -0.00047  -3.11858
   D306       0.01460  -0.00000  -0.00024   0.00002  -0.00022   0.01438
   D307      -0.02032   0.00000  -0.00041   0.00017  -0.00024  -0.02056
   D308       3.11238   0.00001  -0.00037   0.00038   0.00001   3.11239
   D309       0.00819  -0.00001  -0.00008  -0.00009  -0.00017   0.00802
   D310      -3.14038   0.00000   0.00038  -0.00013   0.00025  -3.14013
   D311      -3.12777  -0.00000   0.00042  -0.00022   0.00020  -3.12758
   D312       0.00684   0.00001   0.00088  -0.00026   0.00062   0.00746
   D313      -0.00876   0.00000  -0.00016   0.00015  -0.00001  -0.00877
   D314       3.12873   0.00000  -0.00010   0.00007  -0.00002   3.12871
   D315       3.13979  -0.00000  -0.00062   0.00018  -0.00043   3.13936
   D316      -0.00590  -0.00001  -0.00056   0.00011  -0.00044  -0.00634
   D317      -0.00544   0.00000  -0.00016   0.00009  -0.00007  -0.00550
   D318       3.12681   0.00001  -0.00004   0.00021   0.00017   3.12698
   D319       3.14024   0.00000  -0.00022   0.00016  -0.00005   3.14019
   D320      -0.01070   0.00001  -0.00010   0.00028   0.00018  -0.01052
   D321      -0.00570   0.00000  -0.00018   0.00010  -0.00008  -0.00578
   D322       3.13919   0.00000  -0.00019   0.00016  -0.00003   3.13916
   D323       3.12733   0.00001   0.00001   0.00018   0.00019   3.12752
   D324      -0.01096   0.00001  -0.00000   0.00024   0.00024  -0.01072
   D325      -0.00854   0.00000  -0.00012   0.00011  -0.00000  -0.00854
   D326       3.13941  -0.00000  -0.00056   0.00017  -0.00039   3.13903
   D327       3.12974   0.00000  -0.00011   0.00005  -0.00006   3.12969
   D328      -0.00549  -0.00001  -0.00055   0.00011  -0.00044  -0.00593
   D329       0.00822  -0.00001  -0.00010  -0.00007  -0.00017   0.00805
   D330      -3.12819  -0.00000   0.00040  -0.00020   0.00020  -3.12799
   D331      -3.13975   0.00000   0.00035  -0.00013   0.00022  -3.13953
   D332       0.00703   0.00001   0.00084  -0.00026   0.00058   0.00761
   D333       0.00789  -0.00001  -0.00004  -0.00005  -0.00010   0.00779
   D334      -3.14015   0.00000   0.00040  -0.00011   0.00029  -3.13985
   D335      -3.12840  -0.00000   0.00052  -0.00024   0.00028  -3.12812
   D336       0.00675   0.00001   0.00096  -0.00030   0.00066   0.00742
   D337      -0.00842   0.00001  -0.00020   0.00016  -0.00004  -0.00846
   D338       3.12966   0.00000  -0.00022   0.00010  -0.00012   3.12954
   D339       3.13960  -0.00000  -0.00064   0.00022  -0.00042   3.13917
   D340      -0.00551  -0.00001  -0.00066   0.00015  -0.00050  -0.00601
   D341      -0.00532   0.00000  -0.00020   0.00005  -0.00015  -0.00547
   D342       3.12752   0.00001  -0.00014   0.00023   0.00009   3.12761
   D343       3.13978   0.00000  -0.00018   0.00011  -0.00007   3.13971
   D344      -0.01057   0.00001  -0.00012   0.00030   0.00017  -0.01040
   D345      -0.00520   0.00000  -0.00022   0.00008  -0.00014  -0.00534
   D346       3.14009   0.00000  -0.00020   0.00013  -0.00007   3.14003
   D347       3.12759   0.00001  -0.00013   0.00023   0.00010   3.12770
   D348      -0.01030   0.00001  -0.00011   0.00029   0.00018  -0.01012
   D349      -0.00846   0.00001  -0.00017   0.00013  -0.00004  -0.00849
   D350       3.13963  -0.00000  -0.00065   0.00023  -0.00042   3.13921
   D351       3.12942   0.00000  -0.00019   0.00007  -0.00011   3.12931
   D352      -0.00568  -0.00001  -0.00067   0.00017  -0.00050  -0.00618
   D353       0.00781  -0.00001  -0.00006  -0.00005  -0.00010   0.00771
   D354      -3.12837  -0.00000   0.00050  -0.00022   0.00028  -3.12809
   D355      -3.14029   0.00000   0.00043  -0.00014   0.00028  -3.14001
   D356       0.00672   0.00001   0.00098  -0.00031   0.00067   0.00738
   D357      -0.00827   0.00001   0.00020  -0.00000   0.00019  -0.00808
   D358       3.13984  -0.00000  -0.00016  -0.00002  -0.00018   3.13966
   D359       3.12805   0.00000  -0.00031   0.00017  -0.00014   3.12791
   D360      -0.00702  -0.00001  -0.00066   0.00015  -0.00051  -0.00753
   D361       0.00860  -0.00000   0.00011  -0.00012  -0.00001   0.00859
   D362      -3.12951  -0.00000   0.00008  -0.00009  -0.00000  -3.12952
   D363      -3.13950   0.00000   0.00046  -0.00010   0.00037  -3.13913
   D364       0.00557   0.00001   0.00044  -0.00007   0.00037   0.00594
   D365       0.00569  -0.00000  -0.00001   0.00003   0.00003   0.00572
   D366      -3.12707  -0.00001  -0.00004  -0.00018  -0.00022  -3.12729
   D367      -3.13937  -0.00000   0.00002   0.00001   0.00003  -3.13934
   D368       0.01105  -0.00001  -0.00001  -0.00021  -0.00022   0.01083
   D369       0.00565   0.00000  -0.00000  -0.00000  -0.00000   0.00564
   D370      -3.13977  -0.00000   0.00003  -0.00003   0.00000  -3.13977
   D371      -3.12665  -0.00001   0.00004  -0.00022  -0.00018  -3.12683
   D372       0.01112  -0.00001   0.00007  -0.00025  -0.00018   0.01094
   D373       0.00861  -0.00000   0.00016  -0.00013   0.00003   0.00864
   D374      -3.13981   0.00000   0.00052  -0.00010   0.00042  -3.13939
   D375      -3.12914  -0.00000   0.00013  -0.00010   0.00003  -3.12911
   D376       0.00562   0.00001   0.00049  -0.00008   0.00041   0.00603
   D377      -0.00829   0.00001   0.00015   0.00004   0.00020  -0.00809
   D378       3.12780   0.00000  -0.00031   0.00017  -0.00014   3.12765
   D379       3.14015  -0.00000  -0.00021   0.00002  -0.00019   3.13996
   D380      -0.00695  -0.00001  -0.00068   0.00015  -0.00053  -0.00748
         Item               Value     Threshold  Converged?
 Maximum Force            0.000324     0.000450     YES
 RMS     Force            0.000031     0.000300     YES
 Maximum Displacement     0.177547     0.001800     NO 
 RMS     Displacement     0.016202     0.001200     NO 
 Predicted change in Energy=-2.769173D-06
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C74H46ClN5
 Framework group  C1[X(C74H46ClN5)]
 Deg. of freedom   372
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        1.256588    2.445001   -0.038851
      2          6           0        1.596944    1.091321   -0.006538
      3          6           0        0.630155    0.069442    0.017986
      4          6           0       -0.732949    0.445766    0.004114
      5          6           0       -1.082423    1.808647   -0.032544
      6          6           0       -0.111527    2.790298   -0.052751
      7          6           0        0.992875   -1.357846    0.044473
      8          6           0       -0.016547   -2.364879    0.082780
      9          6           0       -1.413453   -1.968218    0.085934
     10          6           0       -1.778846   -0.572116    0.031916
     11          6           0        2.334910   -1.768052    0.041739
     12          6           0        2.715303   -3.112518    0.070353
     13          6           0        1.698900   -4.087278    0.105220
     14          6           0        0.366608   -3.724221    0.110581
     15          7           0       -2.415528   -2.863706    0.134171
     16          6           0       -3.727965   -2.489830    0.115912
     17          6           0       -4.029747   -1.097559    0.042178
     18          7           0       -3.043081   -0.174929    0.009976
     19          6           0       -4.774261   -3.441915    0.163350
     20          6           0       -6.073771   -2.995785    0.134698
     21          6           0       -6.411606   -1.606945    0.062129
     22          6           0       -5.382834   -0.681640    0.019112
     23          6           0        2.306018    3.492019   -0.059968
     24          6           0        4.144948   -3.498810    0.066319
     25          6           0       -7.830551   -1.183234    0.032595
     26          6           0        4.592647   -4.614471    0.795009
     27          6           0        5.935317   -4.976263    0.807667
     28          6           0        6.871837   -4.241419    0.067774
     29          6           0        6.437964   -3.134550   -0.674703
     30          6           0        5.096868   -2.766838   -0.664387
     31          6           0        2.141448    4.665697   -0.815183
     32          6           0        3.127228    5.646447   -0.850160
     33          6           0        4.305484    5.489738   -0.107905
     34          6           0        4.478520    4.330278    0.659985
     35          6           0        3.495937    3.345812    0.673354
     36          6           0       -8.813419   -1.884197    0.752513
     37          6           0      -10.143284   -1.477113    0.741853
     38          6           0      -10.535005   -0.363311   -0.013051
     39          6           0       -9.567575    0.337891   -0.746507
     40          6           0       -8.237055   -0.063634   -0.713933
     41          7           0        5.307371    6.490274   -0.132200
     42          7           0        8.237824   -4.613309    0.067829
     43          7           0      -11.889269    0.046809   -0.037491
     44          6           0        8.740956   -5.893928   -0.207076
     45          6           0       10.154550   -5.862920   -0.108166
     46          6           0       10.523272   -4.507520    0.244524
     47          6           0        9.319931   -3.764605    0.343038
     48          6           0        6.665773    6.285368   -0.414755
     49          6           0        7.342779    7.528736   -0.342794
     50          6           0        6.352982    8.528573    0.000773
     51          6           0        5.111074    7.855788    0.121034
     52          6           0      -12.359139    1.343865    0.217359
     53          6           0      -13.771442    1.352596    0.096684
     54          6           0      -14.173899    0.004897   -0.248870
     55          6           0      -12.991663   -0.773544   -0.321513
     56          6           0       11.746949   -3.876516    0.494802
     57          6           0       11.756509   -2.529512    0.844391
     58          6           0       10.553762   -1.812254    0.954881
     59          6           0        9.322114   -2.416259    0.710451
     60          6           0        8.059295   -7.057304   -0.574231
     61          6           0        8.815371   -8.201948   -0.817900
     62          6           0       10.215825   -8.192908   -0.707274
     63          6           0       10.890202   -7.026924   -0.358027
     64          6           0        6.415712    9.908271    0.226518
     65          6           0        5.254361   10.591997    0.573278
     66          6           0        4.034943    9.907008    0.705018
     67          6           0        3.944820    8.534064    0.485355
     68          6           0        7.333414    5.109244   -0.766776
     69          6           0        8.700430    5.191389   -1.023497
     70          6           0        9.389844    6.412539   -0.939767
     71          6           0        8.716364    7.583355   -0.604925
     72          6           0      -15.411619   -0.592731   -0.512053
     73          6           0      -15.454802   -1.942327   -0.848416
     74          6           0      -14.271908   -2.695291   -0.933042
     75          6           0      -13.027011   -2.124897   -0.675607
     76          6           0      -11.650032    2.490789    0.584209
     77          6           0      -12.376205    3.659217    0.805524
     78          6           0      -13.774343    3.689327    0.673106
     79          6           0      -14.476633    2.539679    0.324217
     80          1           0       -2.267215   -3.970091    0.222845
     81          1           0        2.648598    0.836674   -0.028950
     82          1           0       -2.134262    2.067671   -0.032773
     83          1           0       -0.402637    3.835647   -0.050835
     84          1           0        3.119596   -1.023011    0.046084
     85          1           0        1.955337   -5.141246    0.100052
     86          1           0       -0.382560   -4.511846    0.131812
     87          1           0       -4.520393   -4.496646    0.212586
     88          1           0       -6.874782   -3.727532    0.140576
     89          1           0       -5.573996    0.385200   -0.004222
     90          1           0        3.887607   -5.182347    1.393716
     91          1           0        6.268781   -5.816132    1.407368
     92          1           0        7.151671   -2.583421   -1.277375
     93          1           0        4.776373   -1.925820   -1.271511
     94          1           0        1.247791    4.794364   -1.417941
     95          1           0        3.000147    6.527521   -1.469816
     96          1           0        5.372989    4.218413    1.263189
     97          1           0        3.635479    2.469523    1.298905
     98          1           0       -8.529726   -2.733327    1.366244
     99          1           0      -10.880863   -2.006420    1.335108
    100          1           0       -9.869475    1.180033   -1.359605
    101          1           0       -7.508747    0.474008   -1.312942
    102          1           0       12.676356   -4.433951    0.422170
    103          1           0       12.699504   -2.028470    1.039661
    104          1           0       10.580453   -0.764811    1.240534
    105          1           0        8.398604   -1.857434    0.811554
    106          1           0        6.980025   -7.072262   -0.675179
    107          1           0        8.307417   -9.118602   -1.102392
    108          1           0       10.774725   -9.102951   -0.901752
    109          1           0       11.973896   -7.017281   -0.284917
    110          1           0        7.360676   10.436318    0.136998
    111          1           0        5.289623   11.662563    0.749394
    112          1           0        3.141415   10.455862    0.987361
    113          1           0        3.001466    8.012701    0.602224
    114          1           0        6.808030    4.164249   -0.846573
    115          1           0        9.241029    4.290234   -1.297459
    116          1           0       10.455602    6.441558   -1.143911
    117          1           0        9.247553    8.529345   -0.552570
    118          1           0      -16.325434   -0.007983   -0.459153
    119          1           0      -16.408811   -2.418048   -1.053108
    120          1           0      -14.324550   -3.744514   -1.207966
    121          1           0      -12.119269   -2.712030   -0.756701
    122          1           0      -10.572470    2.475055    0.702375
    123          1           0      -11.846591    4.563637    1.089901
    124          1           0      -14.309861    4.616721    0.850706
    125          1           0      -15.558907    2.560493    0.234595
    126         17           0       -2.346396   -5.775515    0.394382
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           0.0230046           0.0074970           0.0056898
 Standard basis: 6-31G(d,p) (6D, 7F)
 There are  1434 symmetry adapted cartesian basis functions of A   symmetry.
 There are  1434 symmetry adapted basis functions of A   symmetry.
  1434 basis functions,  2586 primitive gaussians,  1434 cartesian basis functions
   271 alpha electrons      271 beta electrons
       nuclear repulsion energy     10549.7895660177 Hartrees.
 NAtoms=  126 NActive=  126 NUniq=  126 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=T Big=T
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 One-electron integrals computed using PRISM.
 NBasis=  1434 RedAO= T EigKep=  1.50D-04  NBF=  1434
 NBsUse=  1434 1.00D-06 EigRej= -1.00D+00 NBFU=  1434
 Initial guess from the checkpoint file:  "ph.chk"
 B after Tr=    -0.000000   -0.000000    0.000000
         Rot=    1.000000   -0.000045    0.000002   -0.000048 Ang=  -0.01 deg.
 ExpMin= 1.43D-01 ExpMax= 2.52D+04 ExpMxC= 3.78D+03 IAcc=2 IRadAn=         4 AccDes= 0.00D+00
 Harris functional with IExCor=  402 and IRadAn=       4 diagonalized for initial guess.
 HarFok:  IExCor=  402 AccDes= 0.00D+00 IRadAn=         4 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=        2001
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Petite list used in FoFCou.
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Integral accuracy reduced to 1.0D-05 until final iterations.
 Initial convergence to 1.0D-05 achieved.  Increase integral accuracy.
 SCF Done:  E(RB3LYP) =  -3581.78140818     A.U. after   10 cycles
            NFock= 10  Conv=0.40D-08     -V/T= 2.0089
 Calling FoFJK, ICntrl=      2127 FMM=T ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000020430   -0.000002361   -0.000009104
      2        6           0.000001347    0.000031151   -0.000003344
      3        6          -0.000002326   -0.000063086   -0.000003199
      4        6           0.000032919    0.000012709   -0.000004304
      5        6           0.000037146   -0.000036123    0.000044462
      6        6          -0.000035943    0.000017194    0.000013572
      7        6          -0.000046322    0.000036250   -0.000037299
      8        6           0.000144190    0.000091259    0.000022561
      9        6          -0.000208633   -0.000239622    0.000099405
     10        6          -0.000005410    0.000069241    0.000000323
     11        6           0.000018359    0.000021368    0.000018323
     12        6           0.000007817   -0.000040352    0.000020817
     13        6          -0.000051319   -0.000013678   -0.000043314
     14        6           0.000048394   -0.000023479   -0.000009506
     15        7           0.000397870   -0.000046633   -0.000167905
     16        6          -0.000100295    0.000115143   -0.000007203
     17        6          -0.000130426    0.000075978    0.000009988
     18        7           0.000079850   -0.000067578   -0.000031247
     19        6          -0.000051488   -0.000065507   -0.000074358
     20        6           0.000052492    0.000095245    0.000067938
     21        6          -0.000098769   -0.000146376    0.000013305
     22        6           0.000026253    0.000033224   -0.000062436
     23        6           0.000002890    0.000007944    0.000003200
     24        6           0.000005417    0.000004848   -0.000011823
     25        6           0.000102580    0.000084344    0.000007920
     26        6           0.000042330   -0.000002802    0.000031921
     27        6          -0.000047694    0.000030310   -0.000045122
     28        6          -0.000016483   -0.000010417    0.000002180
     29        6           0.000005839   -0.000053130    0.000050754
     30        6           0.000015707    0.000038349   -0.000035228
     31        6           0.000046015    0.000004156   -0.000024798
     32        6          -0.000064006   -0.000043405    0.000056593
     33        6           0.000025446   -0.000013655    0.000005103
     34        6           0.000015075    0.000069286   -0.000066595
     35        6           0.000016278   -0.000040812    0.000030823
     36        6          -0.000062600   -0.000002631   -0.000039863
     37        6           0.000009173    0.000031154   -0.000011289
     38        6           0.000032291    0.000042623    0.000016165
     39        6           0.000060884   -0.000001513    0.000005505
     40        6          -0.000049444   -0.000075410    0.000045850
     41        7          -0.000226385    0.000124695   -0.000030190
     42        7          -0.000165079   -0.000109122   -0.000006595
     43        7           0.000107360    0.000060551   -0.000014102
     44        6           0.000039363    0.000218861    0.000053787
     45        6          -0.000049222    0.000035024   -0.000002423
     46        6           0.000009833   -0.000056869    0.000007737
     47        6           0.000204539   -0.000063761   -0.000050436
     48        6           0.000214844    0.000089181    0.000114180
     49        6           0.000004613    0.000067555    0.000002689
     50        6          -0.000054008   -0.000040452   -0.000008804
     51        6           0.000061966   -0.000242370   -0.000076538
     52        6          -0.000033831   -0.000163500   -0.000005384
     53        6           0.000033585   -0.000031606    0.000004351
     54        6          -0.000015682    0.000044503   -0.000003930
     55        6          -0.000166710    0.000037478    0.000011866
     56        6          -0.000015111    0.000001859    0.000000881
     57        6          -0.000026401   -0.000020772    0.000007170
     58        6           0.000043097    0.000041173    0.000009521
     59        6          -0.000034718    0.000006891   -0.000002007
     60        6          -0.000008882   -0.000035904   -0.000002121
     61        6           0.000054861    0.000019450   -0.000010494
     62        6          -0.000028331   -0.000014500   -0.000006820
     63        6          -0.000005540   -0.000013933   -0.000003424
     64        6          -0.000003892    0.000014980    0.000002898
     65        6          -0.000031369    0.000012706    0.000004676
     66        6           0.000057350   -0.000018418    0.000017743
     67        6          -0.000008883    0.000039339    0.000002824
     68        6          -0.000036197   -0.000013071   -0.000010947
     69        6           0.000048731   -0.000040424   -0.000003583
     70        6          -0.000025751    0.000019107   -0.000013535
     71        6          -0.000014488   -0.000005656   -0.000005297
     72        6           0.000015597    0.000004760   -0.000005354
     73        6           0.000026833    0.000017902   -0.000001418
     74        6          -0.000035232   -0.000036435   -0.000009066
     75        6           0.000029357   -0.000001903    0.000003861
     76        6           0.000011902    0.000026627   -0.000007490
     77        6          -0.000047291   -0.000017035    0.000008779
     78        6           0.000026411    0.000018119    0.000000993
     79        6           0.000010302    0.000010028    0.000005638
     80        1          -0.000123354    0.000054623    0.000144140
     81        1           0.000005345    0.000004279    0.000016861
     82        1          -0.000012785    0.000019195    0.000000696
     83        1           0.000022281   -0.000003860    0.000010557
     84        1           0.000007977   -0.000013111   -0.000053126
     85        1           0.000019651    0.000013326    0.000033389
     86        1          -0.000017553    0.000013700   -0.000036262
     87        1          -0.000002343   -0.000003217    0.000021462
     88        1           0.000003023   -0.000011500   -0.000041693
     89        1           0.000015873    0.000002271    0.000012623
     90        1          -0.000017960   -0.000002951   -0.000013081
     91        1           0.000014416   -0.000009349    0.000014059
     92        1          -0.000002229    0.000018155   -0.000015962
     93        1          -0.000009484   -0.000013745    0.000017000
     94        1          -0.000020308    0.000000930    0.000012707
     95        1           0.000013772    0.000012802   -0.000015972
     96        1          -0.000008023   -0.000017176    0.000018080
     97        1          -0.000006200    0.000011635   -0.000015491
     98        1           0.000006240   -0.000008375    0.000003231
     99        1          -0.000008524   -0.000009665   -0.000002227
    100        1          -0.000014451   -0.000003744    0.000000036
    101        1          -0.000002204    0.000008193   -0.000005920
    102        1          -0.000002353    0.000005922   -0.000002358
    103        1           0.000002912   -0.000003492   -0.000003877
    104        1          -0.000002347   -0.000008593   -0.000004258
    105        1          -0.000005996    0.000009830    0.000013000
    106        1           0.000007578   -0.000009331   -0.000011727
    107        1          -0.000008469    0.000001892    0.000005174
    108        1          -0.000001760    0.000004223    0.000004134
    109        1           0.000004140   -0.000004687    0.000003020
    110        1           0.000004553    0.000006261   -0.000002028
    111        1          -0.000001289   -0.000004586   -0.000005632
    112        1          -0.000008727   -0.000001083   -0.000006070
    113        1           0.000004180    0.000006544    0.000016826
    114        1           0.000000724   -0.000009925   -0.000015377
    115        1          -0.000004587    0.000008463    0.000003976
    116        1           0.000001961    0.000004145    0.000006003
    117        1          -0.000003267   -0.000007087    0.000001985
    118        1           0.000000791   -0.000004844    0.000002538
    119        1          -0.000002996    0.000001569    0.000001771
    120        1           0.000000619    0.000007319    0.000005158
    121        1           0.000012969   -0.000006607   -0.000006060
    122        1          -0.000001791    0.000014671    0.000007378
    123        1           0.000006724   -0.000002596   -0.000004863
    124        1          -0.000000018   -0.000003415   -0.000001563
    125        1          -0.000004171    0.000002109   -0.000002359
    126       17          -0.000065051    0.000022620    0.000031700
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000397870 RMS     0.000054117

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.000163613 RMS     0.000024565
 Search for a local minimum.
 Step number  19 out of a maximum of  756
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points   13   14   15   16   17
                                                     18   19
 DE= -1.23D-05 DEPred=-2.77D-06 R= 4.44D+00
 TightC=F SS=  1.41D+00  RLast= 5.37D-02 DXNew= 5.0454D+00 1.6107D-01
 Trust test= 4.44D+00 RLast= 5.37D-02 DXMaxT set to 3.00D+00
 ITU=  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  0  1  0
     Eigenvalues ---    0.00225   0.00687   0.00959   0.01770   0.02561
     Eigenvalues ---    0.02577   0.02625   0.02671   0.02681   0.02692
     Eigenvalues ---    0.02694   0.02703   0.02706   0.02707   0.02708
     Eigenvalues ---    0.02712   0.02715   0.02718   0.02725   0.02734
     Eigenvalues ---    0.02746   0.02748   0.02758   0.02763   0.02768
     Eigenvalues ---    0.02769   0.02773   0.02776   0.02786   0.02786
     Eigenvalues ---    0.02787   0.02791   0.02792   0.02792   0.02793
     Eigenvalues ---    0.02793   0.02793   0.02793   0.02797   0.02802
     Eigenvalues ---    0.02802   0.02802   0.02802   0.02803   0.02804
     Eigenvalues ---    0.02806   0.02808   0.02809   0.02809   0.02809
     Eigenvalues ---    0.02810   0.02812   0.02816   0.02818   0.02818
     Eigenvalues ---    0.02818   0.02819   0.02819   0.02821   0.02830
     Eigenvalues ---    0.02836   0.02837   0.02839   0.02845   0.02845
     Eigenvalues ---    0.02845   0.02845   0.02845   0.02846   0.02851
     Eigenvalues ---    0.02859   0.02864   0.02868   0.02868   0.02868
     Eigenvalues ---    0.02870   0.02871   0.02872   0.02872   0.02876
     Eigenvalues ---    0.02877   0.02877   0.02877   0.02877   0.02881
     Eigenvalues ---    0.02883   0.02884   0.02884   0.02885   0.02885
     Eigenvalues ---    0.02885   0.02885   0.02885   0.02885   0.02889
     Eigenvalues ---    0.02895   0.02896   0.02896   0.02898   0.02898
     Eigenvalues ---    0.02899   0.02901   0.02901   0.02901   0.02909
     Eigenvalues ---    0.02910   0.02913   0.02926   0.02940   0.02943
     Eigenvalues ---    0.02973   0.03025   0.03025   0.03026   0.03074
     Eigenvalues ---    0.03103   0.03136   0.03136   0.03137   0.03150
     Eigenvalues ---    0.03237   0.03291   0.03371   0.05508   0.10615
     Eigenvalues ---    0.15672   0.15816   0.15897   0.15981   0.15984
     Eigenvalues ---    0.15985   0.15985   0.15989   0.15990   0.15994
     Eigenvalues ---    0.15994   0.15995   0.15996   0.15996   0.15997
     Eigenvalues ---    0.15997   0.15997   0.15998   0.15999   0.15999
     Eigenvalues ---    0.15999   0.15999   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16002   0.16007
     Eigenvalues ---    0.16034   0.16044   0.16057   0.16078   0.16162
     Eigenvalues ---    0.17723   0.21566   0.22000   0.22000   0.22000
     Eigenvalues ---    0.22000   0.22001   0.22002   0.22002   0.22003
     Eigenvalues ---    0.22118   0.22441   0.22460   0.22599   0.22600
     Eigenvalues ---    0.22602   0.22602   0.22602   0.22690   0.22729
     Eigenvalues ---    0.22961   0.22966   0.23038   0.23380   0.23489
     Eigenvalues ---    0.23561   0.23900   0.23986   0.24008   0.24333
     Eigenvalues ---    0.24482   0.24482   0.24483   0.24524   0.24529
     Eigenvalues ---    0.24635   0.24706   0.24924   0.24974   0.24979
     Eigenvalues ---    0.24980   0.24980   0.24980   0.24981   0.24992
     Eigenvalues ---    0.24993   0.24999   0.25000   0.25000   0.25000
     Eigenvalues ---    0.25000   0.25000   0.25001   0.25009   0.25013
     Eigenvalues ---    0.25025   0.25141   0.25271   0.25539   0.25890
     Eigenvalues ---    0.26378   0.33248   0.33251   0.33252   0.33254
     Eigenvalues ---    0.33256   0.33257   0.33284   0.33300   0.33390
     Eigenvalues ---    0.33393   0.33396   0.33399   0.33401   0.33429
     Eigenvalues ---    0.33562   0.33567   0.33570   0.33572   0.33576
     Eigenvalues ---    0.33613   0.33615   0.33623   0.33643   0.33647
     Eigenvalues ---    0.33653   0.33664   0.33692   0.33711   0.33725
     Eigenvalues ---    0.33730   0.33813   0.33828   0.33831   0.33834
     Eigenvalues ---    0.33840   0.33893   0.33929   0.33930   0.33931
     Eigenvalues ---    0.33936   0.33937   0.34002   0.34865   0.34984
     Eigenvalues ---    0.35075   0.35572   0.44442   0.44443   0.44444
     Eigenvalues ---    0.45047   0.48038   0.48741   0.48837   0.48966
     Eigenvalues ---    0.48984   0.49302   0.49400   0.49609   0.49809
     Eigenvalues ---    0.49811   0.49828   0.49933   0.49981   0.50043
     Eigenvalues ---    0.50111   0.50404   0.50409   0.50610   0.50612
     Eigenvalues ---    0.50615   0.51162   0.51762   0.52311   0.52562
     Eigenvalues ---    0.52778   0.53259   0.53530   0.54104   0.54108
     Eigenvalues ---    0.54201   0.54204   0.54205   0.54422   0.54599
     Eigenvalues ---    0.54925   0.55045   0.55190   0.55253   0.55316
     Eigenvalues ---    0.55341   0.55349   0.55369   0.55393   0.55450
     Eigenvalues ---    0.55501   0.55696   0.55708   0.55712   0.55723
     Eigenvalues ---    0.55949   0.55951   0.56049   0.56145   0.56147
     Eigenvalues ---    0.56147   0.56191   0.56261   0.56286   0.56299
     Eigenvalues ---    0.56488   0.56662   0.56664   0.56669   0.56670
     Eigenvalues ---    0.56676   0.56715   0.56757   0.56827   0.56906
     Eigenvalues ---    0.56910   0.57007   0.57142   0.57170   0.57171
     Eigenvalues ---    0.57172   0.57183   0.57183   0.59796   0.63019
     Eigenvalues ---    0.65714   0.66094   0.66389   0.67290   0.67695
     Eigenvalues ---    0.67698   0.67704   0.68706   0.70111   0.70200
     Eigenvalues ---    0.73872   0.76205
 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF=       -3 using points:    19   18   17   16   15   14   13   12   11   10
 RFO step:  Lambda=-1.33014749D-05.
 DidBck=F Rises=F RFO-DIIS coefs:    2.66001   -1.55114   -1.23333    1.70564   -0.76156
                  RFO-DIIS coefs:    0.06767    0.09670    0.03050   -0.04814    0.03365
 Iteration  1 RMS(Cart)=  0.02434124 RMS(Int)=  0.00009529
 Iteration  2 RMS(Cart)=  0.00020059 RMS(Int)=  0.00002057
 Iteration  3 RMS(Cart)=  0.00000020 RMS(Int)=  0.00002057
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        2.63841   0.00000  -0.00020   0.00011  -0.00010   2.63831
    R2        2.66657   0.00001  -0.00013   0.00005  -0.00007   2.66649
    R3        2.80164  -0.00000   0.00042  -0.00018   0.00024   2.80188
    R4        2.65876   0.00002   0.00025  -0.00018   0.00007   2.65883
    R5        2.04521  -0.00001  -0.00001   0.00005   0.00004   2.04525
    R6        2.67239   0.00002   0.00000  -0.00006  -0.00006   2.67233
    R7        2.78337  -0.00000   0.00026  -0.00035  -0.00007   2.78329
    R8        2.65970  -0.00001  -0.00003  -0.00000  -0.00004   2.65966
    R9        2.75846  -0.00003   0.00006  -0.00012  -0.00007   2.75839
   R10        2.60939   0.00002   0.00004   0.00005   0.00009   2.60947
   R11        2.04707  -0.00000  -0.00002   0.00000  -0.00002   2.04705
   R12        2.05060  -0.00001   0.00007  -0.00007  -0.00000   2.05059
   R13        2.69544   0.00003  -0.00028   0.00016  -0.00011   2.69533
   R14        2.65191  -0.00000   0.00032  -0.00023   0.00009   2.65200
   R15        2.74414  -0.00016  -0.00018   0.00001  -0.00016   2.74398
   R16        2.66939   0.00001   0.00022  -0.00012   0.00011   2.66950
   R17        2.72902   0.00005  -0.00072   0.00053  -0.00019   2.72883
   R18        2.54123  -0.00000   0.00008   0.00009   0.00014   2.54137
   R19        2.50453   0.00000   0.00012  -0.00008   0.00009   2.50462
   R20        2.64096   0.00004  -0.00031   0.00021  -0.00010   2.64086
   R21        2.04478  -0.00001  -0.00001   0.00004   0.00003   2.04481
   R22        2.66206  -0.00001  -0.00016   0.00004  -0.00012   2.66195
   R23        2.79853  -0.00000   0.00053  -0.00022   0.00031   2.79884
   R24        2.60949   0.00001  -0.00002   0.00011   0.00009   2.60958
   R25        2.04984  -0.00001   0.00012  -0.00010   0.00001   2.04985
   R26        2.05456  -0.00003   0.00060  -0.00049   0.00011   2.05467
   R27        2.57905  -0.00010   0.00014  -0.00016  -0.00007   2.57898
   R28        2.11611  -0.00006  -0.00248   0.00100  -0.00146   2.11465
   R29        5.52599  -0.00004   0.00230  -0.00004   0.00224   5.52823
   R30        2.69571   0.00001   0.00013  -0.00005   0.00007   2.69578
   R31        2.67478  -0.00002  -0.00018   0.00001  -0.00018   2.67461
   R32        2.55343  -0.00010  -0.00037  -0.00006  -0.00039   2.55304
   R33        2.67539   0.00003   0.00017  -0.00006   0.00011   2.67550
   R34        2.59697   0.00002   0.00017  -0.00009   0.00008   2.59705
   R35        2.05218   0.00001   0.00027  -0.00020   0.00008   2.05226
   R36        2.70454  -0.00007  -0.00006  -0.00006  -0.00011   2.70443
   R37        2.05025   0.00000   0.00006  -0.00004   0.00001   2.05026
   R38        2.61604   0.00001  -0.00020   0.00015  -0.00004   2.61599
   R39        2.79897   0.00006  -0.00009   0.00023   0.00013   2.79910
   R40        2.04862  -0.00000   0.00018  -0.00021  -0.00003   2.04859
   R41        2.65569   0.00000  -0.00014   0.00007  -0.00007   2.65562
   R42        2.65575   0.00000  -0.00024   0.00014  -0.00010   2.65565
   R43        2.65647   0.00000  -0.00020   0.00009  -0.00011   2.65636
   R44        2.65630   0.00000  -0.00024   0.00015  -0.00009   2.65621
   R45        2.65617  -0.00003  -0.00006  -0.00005  -0.00011   2.65606
   R46        2.65643  -0.00004  -0.00015   0.00008  -0.00007   2.65636
   R47        2.62788   0.00002   0.00022  -0.00008   0.00014   2.62802
   R48        2.05104  -0.00001   0.00007  -0.00010  -0.00003   2.05101
   R49        2.64866  -0.00001  -0.00021   0.00006  -0.00015   2.64850
   R50        2.04948   0.00000  -0.00011   0.00014   0.00003   2.04951
   R51        2.64877  -0.00001  -0.00018   0.00003  -0.00015   2.64862
   R52        2.67530  -0.00001   0.00043  -0.00009   0.00034   2.67564
   R53        2.62791   0.00002   0.00020  -0.00007   0.00013   2.62805
   R54        2.04958   0.00000  -0.00011   0.00014   0.00003   2.04961
   R55        2.05157  -0.00001   0.00016  -0.00019  -0.00003   2.05155
   R56        2.62859   0.00002   0.00018  -0.00007   0.00011   2.62870
   R57        2.05146  -0.00001   0.00007  -0.00009  -0.00002   2.05143
   R58        2.64817  -0.00001  -0.00013   0.00002  -0.00011   2.64806
   R59        2.04965   0.00000  -0.00010   0.00012   0.00002   2.04967
   R60        2.64828  -0.00001  -0.00018   0.00002  -0.00015   2.64813
   R61        2.67611   0.00002   0.00032  -0.00001   0.00031   2.67641
   R62        2.62857   0.00002   0.00021  -0.00007   0.00013   2.62870
   R63        2.04967   0.00000  -0.00013   0.00015   0.00003   2.04970
   R64        2.05161  -0.00000   0.00011  -0.00013  -0.00002   2.05159
   R65        2.62826   0.00002   0.00011  -0.00000   0.00011   2.62837
   R66        2.05117   0.00001   0.00005  -0.00005   0.00000   2.05118
   R67        2.64823   0.00001  -0.00011  -0.00001  -0.00012   2.64811
   R68        2.04941  -0.00000  -0.00007   0.00009   0.00002   2.04942
   R69        2.64937  -0.00000  -0.00007  -0.00002  -0.00010   2.64927
   R70        2.67436  -0.00003   0.00037  -0.00013   0.00024   2.67460
   R71        2.62704   0.00004   0.00003   0.00007   0.00011   2.62714
   R72        2.04949  -0.00000  -0.00004   0.00005   0.00001   2.04950
   R73        2.05129   0.00000   0.00019  -0.00022  -0.00004   2.05126
   R74        2.65039  -0.00016  -0.00022  -0.00019  -0.00041   2.64998
   R75        2.65053  -0.00016  -0.00026  -0.00017  -0.00043   2.65011
   R76        2.65148  -0.00014  -0.00034  -0.00012  -0.00046   2.65102
   R77        2.65033  -0.00014  -0.00031  -0.00014  -0.00045   2.64988
   R78        2.65106  -0.00010  -0.00020  -0.00012  -0.00032   2.65074
   R79        2.65163  -0.00010  -0.00024  -0.00013  -0.00037   2.65126
   R80        2.67848   0.00003  -0.00007   0.00011   0.00005   2.67852
   R81        2.64083   0.00002  -0.00006   0.00005  -0.00002   2.64081
   R82        2.73681  -0.00005  -0.00005  -0.00001  -0.00006   2.73675
   R83        2.64462   0.00002   0.00004  -0.00001   0.00003   2.64465
   R84        2.67892   0.00003  -0.00005   0.00010   0.00005   2.67897
   R85        2.64440   0.00002   0.00004  -0.00001   0.00003   2.64442
   R86        2.64091   0.00002  -0.00007   0.00004  -0.00003   2.64088
   R87        2.67880   0.00003  -0.00009   0.00012   0.00003   2.67883
   R88        2.64084   0.00002  -0.00007   0.00004  -0.00003   2.64081
   R89        2.73678  -0.00004  -0.00004  -0.00001  -0.00005   2.73674
   R90        2.64456   0.00002   0.00004  -0.00001   0.00002   2.64458
   R91        2.67877   0.00003  -0.00009   0.00013   0.00003   2.67881
   R92        2.64458   0.00002   0.00003  -0.00000   0.00002   2.64460
   R93        2.64084   0.00002  -0.00009   0.00006  -0.00003   2.64082
   R94        2.67864   0.00002  -0.00007   0.00010   0.00003   2.67867
   R95        2.64078   0.00002  -0.00007   0.00005  -0.00002   2.64076
   R96        2.73695  -0.00005  -0.00011   0.00001  -0.00010   2.73686
   R97        2.64442   0.00001  -0.00001   0.00002   0.00001   2.64444
   R98        2.67844   0.00002  -0.00007   0.00008   0.00001   2.67845
   R99        2.64452   0.00002  -0.00000   0.00002   0.00002   2.64454
   R100       2.64074   0.00002  -0.00003   0.00001  -0.00002   2.64073
   R101       2.62986  -0.00000   0.00015  -0.00009   0.00006   2.62992
   R102       2.05260  -0.00000  -0.00004   0.00003  -0.00001   2.05259
   R103       2.65456   0.00003  -0.00000   0.00004   0.00004   2.65459
   R104       2.05139  -0.00000   0.00001  -0.00001  -0.00000   2.05139
   R105       2.63312  -0.00002   0.00004  -0.00006  -0.00002   2.63310
   R106       2.05229  -0.00001  -0.00000  -0.00002  -0.00002   2.05227
   R107       2.04874   0.00000  -0.00003   0.00007   0.00004   2.04878
   R108       2.63292  -0.00002   0.00004  -0.00006  -0.00002   2.63290
   R109       2.04862   0.00000  -0.00002   0.00006   0.00004   2.04866
   R110       2.65477   0.00003  -0.00000   0.00004   0.00004   2.65481
   R111       2.05208  -0.00000  -0.00001  -0.00001  -0.00002   2.05206
   R112       2.62956   0.00000   0.00015  -0.00009   0.00006   2.62961
   R113       2.05135  -0.00000   0.00001  -0.00001  -0.00000   2.05135
   R114       2.05262  -0.00000  -0.00004   0.00003  -0.00001   2.05261
   R115       2.62968   0.00000   0.00016  -0.00010   0.00007   2.62975
   R116       2.05260  -0.00000  -0.00004   0.00003  -0.00001   2.05259
   R117       2.65474   0.00004  -0.00002   0.00004   0.00002   2.65477
   R118       2.05135  -0.00000   0.00001  -0.00001  -0.00000   2.05135
   R119       2.63300  -0.00002   0.00005  -0.00007  -0.00002   2.63298
   R120       2.05220  -0.00000  -0.00001  -0.00001  -0.00002   2.05219
   R121       2.04876   0.00000  -0.00002   0.00006   0.00003   2.04879
   R122       2.63302  -0.00002   0.00006  -0.00008  -0.00002   2.63301
   R123       2.04877   0.00000  -0.00006   0.00010   0.00004   2.04881
   R124       2.65472   0.00004  -0.00002   0.00005   0.00003   2.65475
   R125       2.05223  -0.00000  -0.00001  -0.00001  -0.00002   2.05221
   R126       2.62971   0.00000   0.00016  -0.00009   0.00006   2.62978
   R127       2.05134  -0.00000   0.00001  -0.00001  -0.00000   2.05134
   R128       2.05259  -0.00000  -0.00004   0.00003  -0.00001   2.05258
   R129       2.62965  -0.00000   0.00013  -0.00007   0.00006   2.62971
   R130       2.05258  -0.00000  -0.00004   0.00003  -0.00001   2.05257
   R131       2.65461   0.00003  -0.00001   0.00003   0.00002   2.65464
   R132       2.05133  -0.00000   0.00001  -0.00001  -0.00000   2.05132
   R133       2.63303  -0.00001  -0.00001  -0.00001  -0.00002   2.63301
   R134       2.05209  -0.00000  -0.00002   0.00000  -0.00001   2.05208
   R135       2.04867  -0.00000   0.00001   0.00001   0.00002   2.04870
   R136       2.63312  -0.00001   0.00000  -0.00001  -0.00001   2.63311
   R137       2.04872  -0.00000   0.00004  -0.00003   0.00001   2.04873
   R138       2.65453   0.00003  -0.00000   0.00002   0.00001   2.65455
   R139       2.05219  -0.00000  -0.00001  -0.00000  -0.00001   2.05218
   R140       2.62979   0.00000   0.00014  -0.00008   0.00006   2.62985
   R141       2.05136  -0.00000   0.00001  -0.00001  -0.00000   2.05136
   R142       2.05258  -0.00000  -0.00004   0.00003  -0.00001   2.05257
   R143       3.43039   0.00000   0.00463  -0.00072   0.00393   3.43431
    A1        2.06443  -0.00001   0.00027  -0.00020   0.00007   2.06451
    A2        2.10888  -0.00000  -0.00018   0.00013  -0.00005   2.10883
    A3        2.10987   0.00001  -0.00009   0.00007  -0.00002   2.10985
    A4        2.13778   0.00002  -0.00012   0.00009  -0.00003   2.13775
    A5        2.05389  -0.00001  -0.00019   0.00022   0.00003   2.05392
    A6        2.09114  -0.00001   0.00031  -0.00032  -0.00002   2.09112
    A7        2.05883  -0.00002  -0.00013   0.00011  -0.00002   2.05881
    A8        2.13520   0.00003   0.00015  -0.00019  -0.00005   2.13515
    A9        2.08911  -0.00001  -0.00002   0.00008   0.00007   2.08918
   A10        2.09125   0.00001   0.00014  -0.00010   0.00004   2.09129
   A11        2.10005  -0.00001  -0.00010  -0.00001  -0.00011   2.09994
   A12        2.09188   0.00000  -0.00004   0.00011   0.00007   2.09195
   A13        2.11086   0.00000  -0.00004   0.00001  -0.00003   2.11084
   A14        2.06309   0.00002   0.00035  -0.00011   0.00024   2.06333
   A15        2.10916  -0.00002  -0.00030   0.00010  -0.00020   2.10896
   A16        2.10320   0.00000  -0.00012   0.00009  -0.00003   2.10317
   A17        2.08957   0.00002   0.00033  -0.00014   0.00019   2.08977
   A18        2.09001  -0.00003  -0.00019   0.00005  -0.00014   2.08987
   A19        2.10640  -0.00001   0.00001   0.00007   0.00010   2.10649
   A20        2.11616   0.00004   0.00021  -0.00029  -0.00010   2.11606
   A21        2.06060  -0.00002  -0.00022   0.00022   0.00000   2.06060
   A22        2.08057   0.00002  -0.00017   0.00005  -0.00011   2.08045
   A23        2.08057   0.00001   0.00049  -0.00040   0.00010   2.08067
   A24        2.12204  -0.00003  -0.00031   0.00035   0.00002   2.12206
   A25        2.10294   0.00002   0.00038  -0.00026   0.00017   2.10311
   A26        2.13532   0.00000  -0.00032   0.00048   0.00021   2.13553
   A27        2.04492  -0.00003  -0.00006  -0.00023  -0.00038   2.04454
   A28        2.08696  -0.00001   0.00001   0.00008   0.00008   2.08704
   A29        2.06483   0.00001   0.00037  -0.00054  -0.00016   2.06467
   A30        2.13139   0.00000  -0.00038   0.00046   0.00008   2.13147
   A31        2.14298   0.00001  -0.00027   0.00017  -0.00010   2.14288
   A32        2.08545  -0.00000   0.00043  -0.00039   0.00004   2.08549
   A33        2.05435  -0.00001  -0.00017   0.00021   0.00004   2.05439
   A34        2.05986  -0.00000   0.00046  -0.00033   0.00013   2.05999
   A35        2.11023  -0.00001  -0.00034   0.00024  -0.00010   2.11013
   A36        2.11310   0.00001  -0.00012   0.00009  -0.00003   2.11307
   A37        2.11098  -0.00000  -0.00005   0.00006   0.00002   2.11100
   A38        2.09629   0.00002   0.00029  -0.00013   0.00016   2.09645
   A39        2.07552  -0.00002  -0.00023   0.00007  -0.00016   2.07536
   A40        2.11137   0.00000  -0.00044   0.00028  -0.00016   2.11122
   A41        2.10669  -0.00001   0.00059  -0.00043   0.00015   2.10684
   A42        2.06511   0.00000  -0.00013   0.00015   0.00000   2.06511
   A43        2.13376  -0.00000   0.00057  -0.00032   0.00044   2.13420
   A44        2.16769  -0.00011  -0.00022  -0.00056  -0.00064   2.16706
   A45        2.27661  -0.00015  -0.00004   0.00022   0.00043   2.27705
   A46        1.98132   0.00011  -0.00060   0.00091   0.00045   1.98177
   A47        1.87204   0.00015  -0.00080   0.00012  -0.00041   1.87163
   A48        2.06179   0.00004  -0.00061   0.00047  -0.00023   2.06156
   A49        2.12485  -0.00009   0.00037  -0.00056  -0.00012   2.12473
   A50        2.09654   0.00005   0.00024   0.00009   0.00035   2.09689
   A51        2.10968  -0.00000  -0.00009   0.00006  -0.00004   2.10964
   A52        2.08261  -0.00005  -0.00013  -0.00005  -0.00019   2.08241
   A53        2.09082   0.00005   0.00023  -0.00000   0.00025   2.09107
   A54        2.08462  -0.00000   0.00062  -0.00044   0.00022   2.08484
   A55        2.07138  -0.00002  -0.00019  -0.00004  -0.00023   2.07115
   A56        2.07374   0.00001  -0.00002   0.00001   0.00001   2.07375
   A57        2.13802   0.00001   0.00018   0.00003   0.00022   2.13824
   A58        2.14040  -0.00002  -0.00003   0.00002  -0.00001   2.14039
   A59        2.07040   0.00000  -0.00004  -0.00002  -0.00006   2.07034
   A60        2.07202   0.00002   0.00006   0.00002   0.00007   2.07209
   A61        2.06552   0.00006   0.00022   0.00000   0.00022   2.06574
   A62        2.09990  -0.00002   0.00008  -0.00025  -0.00018   2.09972
   A63        2.11777  -0.00003  -0.00029   0.00025  -0.00005   2.11772
   A64        2.10992  -0.00002  -0.00011  -0.00002  -0.00013   2.10978
   A65        2.04653   0.00003   0.00017  -0.00003   0.00014   2.04666
   A66        2.12633  -0.00001  -0.00005   0.00005   0.00001   2.12634
   A67        2.11130   0.00002  -0.00021   0.00011  -0.00010   2.11120
   A68        2.11581  -0.00001  -0.00026   0.00010  -0.00016   2.11565
   A69        2.05607  -0.00001   0.00047  -0.00021   0.00026   2.05633
   A70        2.10954   0.00001  -0.00009   0.00000  -0.00009   2.10945
   A71        2.11688   0.00000  -0.00038   0.00021  -0.00016   2.11672
   A72        2.05676  -0.00001   0.00047  -0.00022   0.00025   2.05702
   A73        2.11416  -0.00001   0.00008  -0.00028  -0.00020   2.11396
   A74        2.11235  -0.00001  -0.00036   0.00038   0.00002   2.11237
   A75        2.05668   0.00002   0.00027  -0.00010   0.00018   2.05685
   A76        2.11612   0.00000  -0.00031   0.00013  -0.00018   2.11594
   A77        2.08783   0.00002   0.00021  -0.00008   0.00013   2.08796
   A78        2.07836  -0.00002   0.00012  -0.00006   0.00006   2.07842
   A79        2.09894   0.00001  -0.00002   0.00000  -0.00002   2.09892
   A80        2.09830  -0.00002   0.00010  -0.00004   0.00006   2.09836
   A81        2.08571   0.00000  -0.00006   0.00004  -0.00002   2.08569
   A82        2.07924  -0.00001   0.00019  -0.00003   0.00015   2.07939
   A83        2.10246   0.00000  -0.00013   0.00007  -0.00007   2.10239
   A84        2.10149   0.00001  -0.00005  -0.00004  -0.00009   2.10140
   A85        2.09832   0.00001  -0.00003  -0.00001  -0.00005   2.09827
   A86        2.08509   0.00001  -0.00003   0.00002  -0.00001   2.08509
   A87        2.09944  -0.00001   0.00008  -0.00001   0.00007   2.09950
   A88        2.11677   0.00000  -0.00029   0.00013  -0.00016   2.11661
   A89        2.08769   0.00001   0.00013  -0.00003   0.00011   2.08780
   A90        2.07760  -0.00002   0.00016  -0.00011   0.00005   2.07765
   A91        2.11691  -0.00000  -0.00030   0.00011  -0.00019   2.11672
   A92        2.08721   0.00002   0.00008   0.00003   0.00011   2.08732
   A93        2.07815  -0.00001   0.00023  -0.00015   0.00009   2.07824
   A94        2.09867   0.00001  -0.00004   0.00002  -0.00001   2.09866
   A95        2.09912  -0.00001   0.00014  -0.00007   0.00007   2.09919
   A96        2.08514   0.00000  -0.00008   0.00004  -0.00004   2.08509
   A97        2.07895  -0.00000   0.00018  -0.00004   0.00014   2.07909
   A98        2.10221   0.00000  -0.00011   0.00005  -0.00006   2.10215
   A99        2.10202   0.00000  -0.00008  -0.00001  -0.00009   2.10194
   A100       2.09856   0.00001  -0.00001  -0.00002  -0.00004   2.09853
   A101       2.08505   0.00000  -0.00006   0.00003  -0.00003   2.08502
   A102       2.09926  -0.00001   0.00009  -0.00001   0.00008   2.09934
   A103       2.11701  -0.00000  -0.00030   0.00014  -0.00016   2.11685
   A104       2.08686   0.00001   0.00010   0.00001   0.00010   2.08696
   A105       2.07830  -0.00001   0.00022  -0.00015   0.00006   2.07837
   A106       2.11615  -0.00001  -0.00020   0.00008  -0.00012   2.11603
   A107       2.09090   0.00001   0.00019  -0.00012   0.00007   2.09097
   A108       2.07512   0.00000   0.00002   0.00005   0.00007   2.07519
   A109       2.09906   0.00001   0.00001  -0.00000   0.00001   2.09907
   A110       2.09816  -0.00002  -0.00012   0.00008  -0.00004   2.09812
   A111       2.08573   0.00001   0.00010  -0.00007   0.00004   2.08577
   A112       2.07881  -0.00002   0.00005   0.00001   0.00006   2.07887
   A113       2.10263  -0.00000   0.00016  -0.00020  -0.00004   2.10259
   A114       2.10174   0.00002  -0.00021   0.00019  -0.00002   2.10172
   A115       2.09869   0.00001   0.00004  -0.00003   0.00001   2.09870
   A116       2.08521   0.00001  -0.00001   0.00000  -0.00000   2.08520
   A117       2.09896  -0.00002  -0.00003   0.00003   0.00001   2.09896
   A118       2.11678  -0.00001  -0.00018   0.00005  -0.00013   2.11665
   A119       2.08692   0.00001   0.00007   0.00003   0.00010   2.08703
   A120       2.07850   0.00000   0.00011  -0.00008   0.00004   2.07853
   A121       2.19624  -0.00003   0.00004  -0.00013  -0.00008   2.19616
   A122       2.19658  -0.00003  -0.00006  -0.00003  -0.00009   2.19649
   A123       1.89036   0.00005   0.00002   0.00015   0.00017   1.89053
   A124       2.19659  -0.00003  -0.00008  -0.00001  -0.00009   2.19650
   A125       2.19630  -0.00002   0.00000  -0.00010  -0.00010   2.19620
   A126       1.89029   0.00005   0.00007   0.00012   0.00019   1.89048
   A127       2.19605  -0.00001  -0.00015   0.00011  -0.00005   2.19600
   A128       2.19676  -0.00002   0.00006  -0.00015  -0.00009   2.19667
   A129       1.89038   0.00003   0.00009   0.00005   0.00014   1.89052
   A130       1.90074   0.00000   0.00004  -0.00005  -0.00001   1.90073
   A131       2.26059   0.00001  -0.00022   0.00013  -0.00008   2.26051
   A132       2.12119  -0.00001   0.00021  -0.00008   0.00013   2.12133
   A133       1.86647  -0.00003  -0.00008  -0.00001  -0.00008   1.86639
   A134       2.08702   0.00000  -0.00013   0.00001  -0.00012   2.08691
   A135       2.32961   0.00002   0.00021  -0.00000   0.00021   2.32982
   A136       1.86635  -0.00003  -0.00005  -0.00003  -0.00008   1.86627
   A137       2.32981   0.00002   0.00018   0.00002   0.00020   2.33001
   A138       2.08695   0.00000  -0.00012   0.00000  -0.00011   2.08684
   A139       1.90093   0.00000   0.00001  -0.00003  -0.00002   1.90091
   A140       2.26094   0.00001  -0.00015   0.00008  -0.00007   2.26087
   A141       2.12065  -0.00001   0.00017  -0.00005   0.00013   2.12078
   A142       1.90095   0.00000   0.00004  -0.00005  -0.00001   1.90094
   A143       2.26065   0.00000  -0.00016   0.00007  -0.00009   2.26056
   A144       2.12094  -0.00001   0.00015  -0.00002   0.00014   2.12108
   A145       1.86626  -0.00003  -0.00005  -0.00002  -0.00007   1.86619
   A146       2.08689  -0.00000  -0.00009  -0.00003  -0.00011   2.08677
   A147       2.32995   0.00003   0.00015   0.00005   0.00020   2.33015
   A148       1.86631  -0.00003  -0.00005  -0.00002  -0.00008   1.86623
   A149       2.32989   0.00003   0.00016   0.00004   0.00020   2.33010
   A150       2.08690  -0.00000  -0.00010  -0.00002  -0.00011   2.08679
   A151       1.90089   0.00000   0.00005  -0.00006  -0.00001   1.90089
   A152       2.26060   0.00001  -0.00021   0.00013  -0.00008   2.26052
   A153       2.12105  -0.00001   0.00019  -0.00006   0.00013   2.12118
   A154       1.90069   0.00000  -0.00003  -0.00000  -0.00003   1.90066
   A155       2.26082   0.00002  -0.00004   0.00008   0.00004   2.26085
   A156       2.12101  -0.00002   0.00010  -0.00007   0.00003   2.12105
   A157       1.86653  -0.00002  -0.00003  -0.00002  -0.00004   1.86649
   A158       2.08688   0.00001  -0.00002  -0.00002  -0.00003   2.08685
   A159       2.32969   0.00000   0.00006   0.00003   0.00009   2.32978
   A160       1.86660  -0.00002  -0.00000  -0.00006  -0.00006   1.86654
   A161       2.32955   0.00000   0.00004   0.00008   0.00011   2.32966
   A162       2.08696   0.00001  -0.00002  -0.00002  -0.00004   2.08691
   A163       1.90058   0.00000  -0.00004   0.00003  -0.00000   1.90058
   A164       2.26078   0.00002  -0.00002  -0.00000  -0.00001   2.26077
   A165       2.12116  -0.00002   0.00009  -0.00003   0.00005   2.12121
   A166       2.07990  -0.00000  -0.00003   0.00002  -0.00000   2.07989
   A167       2.10002   0.00001   0.00030  -0.00015   0.00015   2.10017
   A168       2.10326  -0.00001  -0.00027   0.00013  -0.00015   2.10311
   A169       2.10377   0.00000   0.00008  -0.00000   0.00008   2.10384
   A170       2.09197  -0.00000  -0.00019   0.00009  -0.00011   2.09187
   A171       2.08743   0.00000   0.00012  -0.00009   0.00003   2.08746
   A172       2.11963  -0.00000  -0.00009   0.00002  -0.00007   2.11956
   A173       2.08531  -0.00001  -0.00002  -0.00002  -0.00003   2.08527
   A174       2.07824   0.00001   0.00011  -0.00000   0.00010   2.07834
   A175       2.05526   0.00001  -0.00001   0.00001  -0.00000   2.05525
   A176       2.11824  -0.00000  -0.00006   0.00001  -0.00005   2.11818
   A177       2.10966  -0.00001   0.00008  -0.00002   0.00006   2.10972
   A178       2.05463   0.00001  -0.00005   0.00003  -0.00001   2.05462
   A179       2.11949   0.00000  -0.00006   0.00001  -0.00005   2.11943
   A180       2.10904  -0.00001   0.00012  -0.00005   0.00007   2.10911
   A181       2.11988   0.00000  -0.00009   0.00002  -0.00007   2.11981
   A182       2.07770   0.00001   0.00011  -0.00000   0.00011   2.07781
   A183       2.08560  -0.00001  -0.00003  -0.00001  -0.00004   2.08556
   A184       2.10398   0.00000   0.00009  -0.00001   0.00008   2.10407
   A185       2.08720   0.00000   0.00011  -0.00008   0.00003   2.08722
   A186       2.09199  -0.00000  -0.00020   0.00009  -0.00011   2.09188
   A187       2.07945  -0.00000  -0.00004   0.00004  -0.00001   2.07944
   A188       2.10024   0.00001   0.00032  -0.00016   0.00016   2.10040
   A189       2.10349  -0.00000  -0.00028   0.00012  -0.00015   2.10334
   A190       2.07966  -0.00000  -0.00005   0.00004  -0.00000   2.07966
   A191       2.10016   0.00001   0.00032  -0.00015   0.00016   2.10032
   A192       2.10335  -0.00001  -0.00027   0.00011  -0.00016   2.10319
   A193       2.10390   0.00000   0.00008  -0.00000   0.00008   2.10398
   A194       2.09195  -0.00000  -0.00019   0.00008  -0.00011   2.09184
   A195       2.08732  -0.00000   0.00012  -0.00008   0.00003   2.08735
   A196       2.11978  -0.00000  -0.00009   0.00001  -0.00008   2.11971
   A197       2.08535  -0.00001  -0.00002  -0.00002  -0.00004   2.08531
   A198       2.07805   0.00001   0.00011   0.00000   0.00012   2.07816
   A199       2.05486   0.00001  -0.00003   0.00003  -0.00000   2.05486
   A200       2.11865  -0.00000  -0.00009   0.00002  -0.00007   2.11858
   A201       2.10964  -0.00001   0.00013  -0.00005   0.00008   2.10972
   A202       2.05502   0.00001  -0.00001  -0.00001  -0.00001   2.05501
   A203       2.11835  -0.00000  -0.00008   0.00002  -0.00005   2.11829
   A204       2.10979  -0.00001   0.00009  -0.00002   0.00007   2.10986
   A205       2.11969  -0.00000  -0.00010   0.00002  -0.00008   2.11961
   A206       2.07824   0.00001   0.00012  -0.00001   0.00011   2.07835
   A207       2.08524  -0.00001  -0.00003  -0.00000  -0.00003   2.08521
   A208       2.10388   0.00000   0.00008   0.00001   0.00009   2.10397
   A209       2.08730  -0.00000   0.00011  -0.00008   0.00003   2.08733
   A210       2.09199  -0.00000  -0.00018   0.00007  -0.00011   2.09188
   A211       2.07974  -0.00000  -0.00004   0.00003  -0.00001   2.07973
   A212       2.10014   0.00001   0.00031  -0.00015   0.00016   2.10030
   A213       2.10329  -0.00001  -0.00028   0.00013  -0.00015   2.10313
   A214       2.07954  -0.00000  -0.00006   0.00005  -0.00002   2.07953
   A215       2.10022   0.00001   0.00028  -0.00014   0.00014   2.10035
   A216       2.10341  -0.00000  -0.00022   0.00010  -0.00012   2.10329
   A217       2.10398  -0.00000   0.00005  -0.00001   0.00004   2.10402
   A218       2.09195   0.00000  -0.00021   0.00013  -0.00008   2.09187
   A219       2.08723   0.00000   0.00016  -0.00012   0.00005   2.08728
   A220       2.11975   0.00000  -0.00004  -0.00000  -0.00004   2.11970
   A221       2.08556  -0.00000   0.00004  -0.00005  -0.00002   2.08554
   A222       2.07788   0.00000   0.00000   0.00006   0.00006   2.07794
   A223       2.05476   0.00001  -0.00002   0.00003   0.00001   2.05478
   A224       2.11940   0.00000   0.00003  -0.00005  -0.00001   2.11939
   A225       2.10898  -0.00002  -0.00002   0.00001  -0.00000   2.10898
   A226       2.05496   0.00001  -0.00004   0.00006   0.00003   2.05499
   A227       2.11889   0.00000   0.00006  -0.00004   0.00001   2.11890
   A228       2.10930  -0.00002  -0.00002  -0.00002  -0.00004   2.10927
   A229       2.11966   0.00000  -0.00002  -0.00001  -0.00004   2.11962
   A230       2.07807   0.00000  -0.00002   0.00007   0.00006   2.07812
   A231       2.08545  -0.00000   0.00004  -0.00006  -0.00002   2.08544
   A232       2.10391  -0.00000   0.00004  -0.00001   0.00003   2.10394
   A233       2.08737   0.00000   0.00016  -0.00011   0.00005   2.08742
   A234       2.09189   0.00000  -0.00020   0.00012  -0.00008   2.09182
   A235       2.07973  -0.00000  -0.00007   0.00006  -0.00001   2.07972
   A236       2.10014   0.00000   0.00027  -0.00015   0.00013   2.10026
   A237       2.10330  -0.00000  -0.00021   0.00008  -0.00012   2.10318
    D1       -0.00466  -0.00000   0.00001  -0.00016  -0.00015  -0.00481
    D2        3.10732  -0.00001  -0.00024  -0.00067  -0.00091   3.10641
    D3        3.13844  -0.00000   0.00031  -0.00017   0.00014   3.13858
    D4       -0.03277  -0.00001   0.00006  -0.00068  -0.00062  -0.03338
    D5        0.00181   0.00000  -0.00064   0.00013  -0.00051   0.00129
    D6        3.11295   0.00001  -0.00015   0.00033   0.00018   3.11313
    D7       -3.14129   0.00000  -0.00094   0.00013  -0.00081   3.14109
    D8       -0.03015   0.00000  -0.00045   0.00034  -0.00011  -0.03026
    D9        2.49353   0.00002  -0.00199   0.00086  -0.00113   2.49240
   D10       -0.64890   0.00002  -0.00194   0.00076  -0.00117  -0.65007
   D11       -0.64652   0.00002  -0.00169   0.00086  -0.00083  -0.64735
   D12        2.49424   0.00002  -0.00163   0.00076  -0.00087   2.49337
   D13        0.00402  -0.00000   0.00094   0.00009   0.00103   0.00505
   D14        3.13550  -0.00001   0.00132  -0.00013   0.00120   3.13670
   D15       -3.10735   0.00001   0.00120   0.00060   0.00181  -3.10554
   D16        0.02413   0.00000   0.00158   0.00038   0.00197   0.02610
   D17       -0.00054   0.00000  -0.00127   0.00001  -0.00126  -0.00181
   D18       -3.13873   0.00000  -0.00243  -0.00033  -0.00277  -3.14150
   D19       -3.13230   0.00001  -0.00165   0.00023  -0.00142  -3.13372
   D20        0.01270   0.00001  -0.00280  -0.00011  -0.00292   0.00978
   D21        3.13028   0.00004   0.00593   0.00074   0.00666   3.13694
   D22       -0.00395   0.00004   0.00682   0.00060   0.00741   0.00347
   D23       -0.02160   0.00004   0.00631   0.00051   0.00683  -0.01477
   D24        3.12736   0.00003   0.00720   0.00037   0.00758   3.13494
   D25       -0.00218  -0.00000   0.00069  -0.00004   0.00065  -0.00153
   D26       -3.13148  -0.00001   0.00021  -0.00015   0.00007  -3.13141
   D27        3.13603   0.00000   0.00184   0.00030   0.00214   3.13817
   D28        0.00672  -0.00000   0.00137   0.00019   0.00156   0.00828
   D29        0.00970  -0.00004  -0.00466  -0.00029  -0.00496   0.00474
   D30       -3.13503  -0.00003  -0.00281  -0.00017  -0.00299  -3.13802
   D31       -3.12848  -0.00005  -0.00582  -0.00063  -0.00646  -3.13494
   D32        0.00997  -0.00004  -0.00397  -0.00051  -0.00449   0.00548
   D33        0.00154  -0.00000   0.00030  -0.00003   0.00026   0.00181
   D34       -3.10960  -0.00000  -0.00021  -0.00023  -0.00044  -3.11003
   D35        3.13052   0.00000   0.00079   0.00008   0.00086   3.13139
   D36        0.01939  -0.00000   0.00029  -0.00013   0.00016   0.01955
   D37        0.00756  -0.00004  -0.00219  -0.00049  -0.00267   0.00488
   D38       -3.13903  -0.00001   0.00043  -0.00022   0.00021  -3.13882
   D39       -3.14118  -0.00004  -0.00305  -0.00036  -0.00340   3.13861
   D40       -0.00458  -0.00001  -0.00042  -0.00009  -0.00051  -0.00509
   D41        3.13820   0.00002   0.00037   0.00036   0.00073   3.13893
   D42        0.02793   0.00003   0.00075   0.00086   0.00161   0.02954
   D43        0.00379   0.00002   0.00123   0.00022   0.00146   0.00525
   D44       -3.10648   0.00003   0.00162   0.00072   0.00234  -3.10414
   D45        0.01514   0.00000  -0.00538   0.00008  -0.00532   0.00983
   D46       -3.13006   0.00002  -0.00332   0.00033  -0.00299  -3.13304
   D47       -3.12133  -0.00003  -0.00807  -0.00020  -0.00827  -3.12961
   D48        0.01665  -0.00001  -0.00601   0.00006  -0.00595   0.01071
   D49        0.00343  -0.00001  -0.00103   0.00001  -0.00103   0.00240
   D50       -3.13285  -0.00002   0.00034  -0.00008   0.00026  -3.13259
   D51        3.13990   0.00002   0.00165   0.00028   0.00193  -3.14135
   D52        0.00363   0.00001   0.00303   0.00019   0.00322   0.00684
   D53       -0.02389   0.00004   0.00883   0.00032   0.00916  -0.01473
   D54        3.12097   0.00003   0.00691   0.00019   0.00711   3.12808
   D55        3.12113   0.00003   0.00687   0.00008   0.00695   3.12807
   D56       -0.01720   0.00002   0.00494  -0.00005   0.00490  -0.01230
   D57       -3.12326  -0.00005  -0.00789   0.00024  -0.00767  -3.13093
   D58        0.05131  -0.00009  -0.01925  -0.00074  -0.02001   0.03130
   D59        0.06635  -0.00006  -0.02511  -0.00032  -0.02532   0.04103
   D60        0.01484  -0.00003  -0.00589   0.00049  -0.00541   0.00943
   D61       -3.09377  -0.00007  -0.01726  -0.00050  -0.01776  -3.11153
   D62       -3.07874  -0.00004  -0.02311  -0.00007  -0.02307  -3.10180
   D63       -3.13543  -0.00000  -0.00213  -0.00039  -0.00252  -3.13795
   D64        0.00294   0.00001  -0.00022  -0.00027  -0.00050   0.00244
   D65       -0.00164  -0.00001  -0.00058  -0.00026  -0.00084  -0.00248
   D66       -3.14152  -0.00000   0.00011  -0.00024  -0.00013   3.14154
   D67        3.10915  -0.00002  -0.00094  -0.00076  -0.00170   3.10745
   D68       -0.03073  -0.00001  -0.00026  -0.00074  -0.00099  -0.03172
   D69        0.00030  -0.00001  -0.00093   0.00017  -0.00076  -0.00046
   D70        3.11170  -0.00001  -0.00059   0.00031  -0.00027   3.11143
   D71        3.14017  -0.00002  -0.00162   0.00015  -0.00147   3.13870
   D72       -0.03161  -0.00001  -0.00128   0.00029  -0.00098  -0.03259
   D73        2.51665   0.00002  -0.00229   0.00129  -0.00100   2.51565
   D74       -0.62634   0.00002  -0.00201   0.00095  -0.00106  -0.62740
   D75       -0.62318   0.00003  -0.00158   0.00131  -0.00027  -0.62345
   D76        2.51701   0.00003  -0.00131   0.00097  -0.00033   2.51668
   D77       -0.00125   0.00002   0.00174  -0.00005   0.00169   0.00044
   D78        3.13515   0.00003   0.00039   0.00004   0.00043   3.13558
   D79       -3.11301   0.00002   0.00139  -0.00019   0.00120  -3.11180
   D80        0.02339   0.00002   0.00004  -0.00010  -0.00005   0.02334
   D81        0.00060   0.00003   0.00238  -0.00059   0.00178   0.00238
   D82        3.13842   0.00003   0.00273  -0.00026   0.00245   3.14087
   D83        3.11244   0.00006   0.01262   0.00028   0.01290   3.12534
   D84       -0.03292   0.00006   0.01297   0.00061   0.01357  -0.01935
   D85        3.10393   0.00003   0.01585  -0.00014   0.01585   3.11978
   D86       -0.04144   0.00003   0.01620   0.00020   0.01652  -0.02491
   D87       -0.01562  -0.00000   0.00260   0.00025   0.00288  -0.01275
   D88        3.13947  -0.00001   0.00144  -0.00002   0.00142   3.14089
   D89        3.12968  -0.00001   0.00226  -0.00008   0.00222   3.13190
   D90        0.00159  -0.00001   0.00110  -0.00035   0.00076   0.00235
   D91       -3.13595   0.00000  -0.00151  -0.00015  -0.00166  -3.13762
   D92       -0.00316  -0.00000  -0.00230  -0.00028  -0.00258  -0.00574
   D93        0.00179   0.00001  -0.00116   0.00019  -0.00098   0.00081
   D94        3.13458   0.00000  -0.00195   0.00006  -0.00189   3.13268
   D95        0.01353  -0.00001  -0.00356   0.00016  -0.00340   0.01013
   D96        3.14155  -0.00001  -0.00239   0.00044  -0.00193   3.13962
   D97       -0.00418   0.00001  -0.00004  -0.00003  -0.00008  -0.00426
   D98        3.10725   0.00001   0.00013   0.00023   0.00037   3.10762
   D99       -3.13242   0.00000  -0.00119  -0.00030  -0.00153  -3.13394
   D100      -0.02098   0.00001  -0.00102  -0.00004  -0.00108  -0.02206
   D101      -0.00275   0.00001   0.00019   0.00035   0.00055  -0.00220
   D102       3.10951   0.00001  -0.00020   0.00096   0.00077   3.11028
   D103      -3.13520   0.00001   0.00102   0.00049   0.00150  -3.13369
   D104      -0.02294   0.00002   0.00064   0.00109   0.00172  -0.02122
   D105       0.00024  -0.00001   0.00084  -0.00073   0.00011   0.00035
   D106       3.14043  -0.00001   0.00066  -0.00064   0.00002   3.14045
   D107      -3.11200  -0.00002   0.00123  -0.00134  -0.00011  -3.11210
   D108       0.02819  -0.00002   0.00105  -0.00124  -0.00019   0.02800
   D109       0.00328   0.00000  -0.00089   0.00055  -0.00034   0.00294
   D110      -3.10676  -0.00000  -0.00108   0.00027  -0.00082  -3.10757
   D111      -3.13689   0.00001  -0.00071   0.00046  -0.00026  -3.13715
   D112       0.03625   0.00000  -0.00090   0.00018  -0.00073   0.03553
   D113       0.60962   0.00005   0.00173   0.00034   0.00208   0.61170
   D114      -2.53532   0.00005   0.00113   0.00108   0.00222  -2.53311
   D115      -2.53342   0.00004   0.00155   0.00044   0.00199  -2.53143
   D116       0.60482   0.00005   0.00095   0.00118   0.00213   0.60695
   D117      -3.13055  -0.00000   0.00008  -0.00014  -0.00006  -3.13060
   D118      -0.03521  -0.00001   0.00044  -0.00041   0.00002  -0.03518
   D119       0.01185  -0.00000   0.00003  -0.00005  -0.00002   0.01184
   D120       3.10719  -0.00001   0.00038  -0.00032   0.00007   3.10726
   D121      -3.13581  -0.00000   0.00001   0.00005   0.00006  -3.13575
   D122      -0.04295  -0.00000   0.00030  -0.00019   0.00011  -0.04284
   D123       0.00497  -0.00000   0.00006  -0.00004   0.00002   0.00499
   D124       3.09783  -0.00000   0.00036  -0.00028   0.00007   3.09790
   D125      -3.13009  -0.00000   0.00017  -0.00023  -0.00006  -3.13015
   D126      -0.03390  -0.00001   0.00065  -0.00049   0.00016  -0.03374
   D127       0.01285  -0.00000  -0.00010   0.00010   0.00000   0.01285
   D128       3.10904  -0.00000   0.00038  -0.00016   0.00022   3.10927
   D129      -3.13459  -0.00000  -0.00009   0.00010   0.00000  -3.13459
   D130      -0.04448  -0.00001  -0.00003  -0.00001  -0.00004  -0.04451
   D131       0.00564  -0.00000   0.00017  -0.00023  -0.00006   0.00559
   D132       3.09576  -0.00001   0.00024  -0.00034  -0.00010   3.09566
   D133       3.12531   0.00000  -0.00034   0.00033  -0.00001   3.12530
   D134       0.03256  -0.00000  -0.00068   0.00021  -0.00047   0.03208
   D135      -0.01303  -0.00000   0.00024  -0.00038  -0.00014  -0.01317
   D136      -3.10579  -0.00000  -0.00009  -0.00051  -0.00061  -3.10639
   D137       3.14042  -0.00000   0.00023  -0.00031  -0.00008   3.14033
   D138       0.04697  -0.00001   0.00017  -0.00050  -0.00033   0.04665
   D139      -0.00442   0.00000  -0.00036   0.00041   0.00005  -0.00438
   D140      -3.09787  -0.00000  -0.00041   0.00022  -0.00019  -3.09806
   D141      -0.01978   0.00000   0.00001   0.00003   0.00005  -0.01973
   D142       3.09852   0.00001   0.00105  -0.00027   0.00078   3.09931
   D143      -3.11621   0.00000  -0.00047   0.00029  -0.00017  -3.11639
   D144       0.00209   0.00001   0.00057  -0.00001   0.00057   0.00265
   D145       0.00799  -0.00000   0.00000  -0.00004  -0.00004   0.00795
   D146      -3.13145  -0.00000   0.00006  -0.00006  -0.00000  -3.13146
   D147      -3.11047  -0.00001  -0.00103   0.00025  -0.00078  -3.11125
   D148       0.03327  -0.00001  -0.00098   0.00024  -0.00074   0.03253
   D149       0.01024  -0.00000   0.00008  -0.00009  -0.00001   0.01023
   D150      -3.10355  -0.00001  -0.00075   0.00011  -0.00065  -3.10419
   D151      -3.13350  -0.00000   0.00002  -0.00007  -0.00005  -3.13355
   D152       0.03590  -0.00001  -0.00081   0.00012  -0.00068   0.03522
   D153       0.90333   0.00004   0.00639   0.00034   0.00673   0.91006
   D154      -2.23798   0.00004   0.00680   0.00019   0.00700  -2.23099
   D155      -2.23608   0.00004   0.00644   0.00032   0.00677  -2.22932
   D156       0.90578   0.00004   0.00686   0.00018   0.00703   0.91282
   D157      -0.01720   0.00000  -0.00017   0.00023   0.00006  -0.01714
   D158      -3.10760   0.00001  -0.00023   0.00033   0.00010  -3.10750
   D159       3.09636   0.00001   0.00067   0.00003   0.00070   3.09706
   D160       0.00596   0.00001   0.00060   0.00013   0.00074   0.00669
   D161      -0.01814   0.00000  -0.00005   0.00005  -0.00000  -0.01814
   D162       3.09874   0.00001   0.00078  -0.00010   0.00068   3.09942
   D163      -3.11371   0.00001  -0.00041   0.00032  -0.00009  -3.11380
   D164       0.00317   0.00001   0.00043   0.00017   0.00060   0.00377
   D165       0.00737  -0.00000  -0.00000   0.00003   0.00003   0.00740
   D166      -3.13301  -0.00000   0.00008  -0.00002   0.00006  -3.13295
   D167      -3.10971  -0.00001  -0.00083   0.00018  -0.00065  -3.11036
   D168       0.03310  -0.00001  -0.00075   0.00013  -0.00062   0.03248
   D169       0.00921  -0.00000   0.00009  -0.00012  -0.00003   0.00918
   D170      -3.10535  -0.00001  -0.00076   0.00006  -0.00070  -3.10605
   D171      -3.13360  -0.00000   0.00001  -0.00007  -0.00006  -3.13366
   D172       0.03502  -0.00001  -0.00084   0.00010  -0.00073   0.03429
   D173      -2.22860   0.00006   0.00638   0.00082   0.00721  -2.22139
   D174       0.91201   0.00006   0.00625   0.00092   0.00717   0.91918
   D175       0.91422   0.00006   0.00647   0.00077   0.00724   0.92146
   D176      -2.22836   0.00006   0.00634   0.00087   0.00720  -2.22115
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   D178      -3.10860   0.00000  -0.00041   0.00036  -0.00005  -3.10866
   D179       3.09883   0.00001   0.00073  -0.00005   0.00068   3.09951
   D180       0.00574   0.00001   0.00044   0.00019   0.00063   0.00636
   D181       0.01958   0.00000  -0.00001   0.00012   0.00011   0.01969
   D182      -3.09852  -0.00000  -0.00036  -0.00002  -0.00038  -3.09890
   D183       3.11277   0.00001   0.00032   0.00025   0.00057   3.11334
   D184      -0.00533   0.00000  -0.00002   0.00010   0.00008  -0.00525
   D185      -0.00844  -0.00000  -0.00011   0.00013   0.00002  -0.00842
   D186       3.13069  -0.00000   0.00005  -0.00010  -0.00005   3.13064
   D187       3.10983   0.00000   0.00024   0.00027   0.00051   3.11034
   D188      -0.03423   0.00000   0.00039   0.00005   0.00044  -0.03379
   D189      -0.00877   0.00000  -0.00001  -0.00010  -0.00012  -0.00889
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   D191       3.13529   0.00000  -0.00017   0.00012  -0.00005   3.13524
   D192      -0.03386   0.00000   0.00012   0.00022   0.00034  -0.03352
   D193       2.24047  -0.00002  -0.00527   0.00036  -0.00491   2.23556
   D194      -0.90192  -0.00002  -0.00492   0.00029  -0.00464  -0.90655
   D195      -0.90362  -0.00002  -0.00511   0.00014  -0.00497  -0.90860
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   D197       0.01531   0.00000   0.00025  -0.00017   0.00008   0.01539
   D198       3.10898   0.00000   0.00030   0.00002   0.00032   3.10931
   D199      -3.09850  -0.00000  -0.00004  -0.00027  -0.00031  -3.09881
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   D201       3.13992   0.00000  -0.00003  -0.00002  -0.00005   3.13988
   D202       0.03717  -0.00002  -0.00119  -0.00017  -0.00136   0.03581
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   D206       0.03858  -0.00002  -0.00102  -0.00022  -0.00125   0.03734
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   D210       0.03858  -0.00002  -0.00100  -0.00014  -0.00113   0.03744
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   D213       3.14059   0.00000  -0.00039   0.00015  -0.00024   3.14035
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   D220       3.10301   0.00001   0.00111  -0.00006   0.00105   3.10406
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   D270       3.10888   0.00002   0.00103   0.00015   0.00118   3.11006
   D271      -3.12749  -0.00000  -0.00076   0.00008  -0.00069  -3.12817
   D272      -0.02090   0.00001   0.00013   0.00032   0.00045  -0.02046
   D273      -3.11954  -0.00001  -0.00094   0.00001  -0.00093  -3.12047
   D274       0.01639  -0.00001  -0.00132   0.00029  -0.00103   0.01536
   D275       0.00649  -0.00000   0.00024  -0.00021   0.00003   0.00651
   D276      -3.14077  -0.00000  -0.00014   0.00007  -0.00007  -3.14084
   D277       3.11872   0.00001   0.00083   0.00003   0.00087   3.11959
   D278      -0.01431   0.00000   0.00010   0.00025   0.00036  -0.01395
   D279       0.02007  -0.00001  -0.00027  -0.00026  -0.00052   0.01955
   D280      -3.11296  -0.00002  -0.00100  -0.00004  -0.00104  -3.11400
   D281      -0.00238  -0.00000  -0.00011   0.00007  -0.00003  -0.00241
   D282       3.12707   0.00000   0.00117  -0.00029   0.00089   3.12796
   D283      -3.10822  -0.00001  -0.00110   0.00008  -0.00103  -3.10925
   D284       0.02123  -0.00001   0.00018  -0.00028  -0.00011   0.02112
   D285      -3.11824  -0.00000  -0.00113   0.00021  -0.00092  -3.11915
   D286       0.01419   0.00000  -0.00061   0.00008  -0.00053   0.01365
   D287      -0.02050   0.00001   0.00009   0.00021   0.00030  -0.02020
   D288       3.11192   0.00001   0.00061   0.00007   0.00068   3.11261
   D289       0.00290   0.00000   0.00016  -0.00006   0.00010   0.00300
   D290      -3.12445  -0.00000  -0.00147   0.00041  -0.00106  -3.12551
   D291      -3.12414  -0.00000  -0.00138   0.00037  -0.00101  -3.12514
   D292       0.03170  -0.00000  -0.00300   0.00084  -0.00216   0.02953
   D293      -0.00644   0.00000  -0.00044   0.00020  -0.00024  -0.00669
   D294       3.14099   0.00000  -0.00009   0.00003  -0.00006   3.14093
   D295       3.11915   0.00000   0.00125  -0.00028   0.00097   3.12012
   D296      -0.01661   0.00000   0.00160  -0.00045   0.00115  -0.01545
   D297      -0.00238   0.00000  -0.00016   0.00003  -0.00013  -0.00251
   D298      -3.10845  -0.00001  -0.00120   0.00007  -0.00113  -3.10959
   D299       3.12733   0.00000   0.00120  -0.00036   0.00084   3.12816
   D300       0.02125  -0.00001   0.00015  -0.00032  -0.00016   0.02109
   D301       3.11949   0.00000   0.00137  -0.00031   0.00106   3.12055
   D302      -0.01651   0.00000   0.00178  -0.00052   0.00126  -0.01525
   D303      -0.00644   0.00000  -0.00042   0.00021  -0.00021  -0.00665
   D304       3.14075   0.00000  -0.00001  -0.00001  -0.00001   3.14073
   D305      -3.11858  -0.00000  -0.00117   0.00029  -0.00088  -3.11946
   D306       0.01438  -0.00000  -0.00063   0.00012  -0.00052   0.01386
   D307      -0.02056   0.00001   0.00011   0.00024   0.00035  -0.02022
   D308       3.11239   0.00001   0.00065   0.00007   0.00071   3.11310
   D309       0.00802  -0.00000  -0.00049   0.00005  -0.00043   0.00759
   D310      -3.14013  -0.00000   0.00017  -0.00020  -0.00003  -3.14016
   D311      -3.12758  -0.00000  -0.00011  -0.00020  -0.00032  -3.12789
   D312       0.00746  -0.00000   0.00055  -0.00046   0.00009   0.00755
   D313      -0.00877   0.00000   0.00031   0.00002   0.00033  -0.00844
   D314       3.12871   0.00000   0.00010   0.00011   0.00021   3.12892
   D315       3.13936   0.00000  -0.00035   0.00027  -0.00007   3.13929
   D316      -0.00634   0.00000  -0.00056   0.00036  -0.00019  -0.00654
   D317      -0.00550   0.00000   0.00010   0.00006   0.00016  -0.00534
   D318       3.12698   0.00001   0.00081  -0.00016   0.00065   3.12763
   D319       3.14019   0.00000   0.00031  -0.00003   0.00028   3.14047
   D320      -0.01052   0.00001   0.00102  -0.00025   0.00077  -0.00974
   D321      -0.00578   0.00000   0.00011   0.00008   0.00018  -0.00560
   D322       3.13916   0.00000   0.00039  -0.00004   0.00035   3.13951
   D323       3.12752   0.00001   0.00086  -0.00021   0.00064   3.12816
   D324      -0.01072   0.00001   0.00114  -0.00033   0.00081  -0.00991
   D325      -0.00854   0.00000   0.00031  -0.00000   0.00030  -0.00824
   D326       3.13903   0.00000  -0.00029   0.00025  -0.00005   3.13898
   D327       3.12969   0.00000   0.00003   0.00011   0.00014   3.12982
   D328      -0.00593   0.00000  -0.00058   0.00036  -0.00021  -0.00614
   D329       0.00805  -0.00000  -0.00049   0.00006  -0.00043   0.00762
   D330      -3.12799  -0.00000  -0.00016  -0.00014  -0.00029  -3.12829
   D331      -3.13953  -0.00000   0.00012  -0.00020  -0.00008  -3.13961
   D332       0.00761  -0.00000   0.00045  -0.00039   0.00006   0.00767
   D333       0.00779  -0.00000  -0.00046   0.00006  -0.00040   0.00739
   D334      -3.13985  -0.00000   0.00016  -0.00019  -0.00003  -3.13988
   D335      -3.12812  -0.00001  -0.00009  -0.00022  -0.00031  -3.12843
   D336       0.00742  -0.00000   0.00053  -0.00047   0.00006   0.00748
   D337      -0.00846   0.00001   0.00032  -0.00000   0.00032  -0.00814
   D338       3.12954   0.00000   0.00000   0.00016   0.00017   3.12971
   D339       3.13917   0.00000  -0.00029   0.00024  -0.00005   3.13913
   D340      -0.00601   0.00000  -0.00061   0.00041  -0.00020  -0.00622
   D341      -0.00547   0.00000   0.00005   0.00010   0.00015  -0.00532
   D342       3.12761   0.00001   0.00077  -0.00012   0.00065   3.12827
   D343       3.13971   0.00001   0.00036  -0.00006   0.00030   3.14000
   D344      -0.01040   0.00001   0.00109  -0.00028   0.00081  -0.00959
   D345      -0.00534   0.00000   0.00005   0.00011   0.00016  -0.00518
   D346       3.14003   0.00001   0.00033  -0.00002   0.00031   3.14034
   D347       3.12770   0.00001   0.00082  -0.00018   0.00064   3.12833
   D348      -0.01012   0.00001   0.00111  -0.00032   0.00079  -0.00933
   D349      -0.00849   0.00001   0.00033  -0.00001   0.00032  -0.00817
   D350       3.13921   0.00000  -0.00028   0.00025  -0.00004   3.13917
   D351       3.12931   0.00000   0.00005   0.00012   0.00017   3.12947
   D352      -0.00618   0.00000  -0.00057   0.00038  -0.00019  -0.00637
   D353       0.00771  -0.00000  -0.00047   0.00007  -0.00040   0.00731
   D354      -3.12809  -0.00001  -0.00010  -0.00022  -0.00032  -3.12840
   D355      -3.14001  -0.00000   0.00015  -0.00019  -0.00004  -3.14005
   D356       0.00738  -0.00000   0.00052  -0.00048   0.00004   0.00742
   D357      -0.00808   0.00000   0.00042  -0.00003   0.00040  -0.00768
   D358       3.13966   0.00000  -0.00007   0.00013   0.00006   3.13972
   D359       3.12791   0.00000   0.00001   0.00019   0.00020   3.12811
   D360      -0.00753   0.00000  -0.00048   0.00034  -0.00014  -0.00767
   D361       0.00859  -0.00000  -0.00016  -0.00006  -0.00021   0.00838
   D362      -3.12952   0.00000   0.00003  -0.00012  -0.00009  -3.12961
   D363      -3.13913  -0.00000   0.00033  -0.00021   0.00012  -3.13901
   D364       0.00594   0.00000   0.00052  -0.00027   0.00024   0.00618
   D365       0.00572  -0.00000  -0.00011  -0.00005  -0.00016   0.00555
   D366      -3.12729  -0.00000  -0.00064   0.00012  -0.00053  -3.12782
   D367      -3.13934  -0.00000  -0.00030   0.00002  -0.00028  -3.13962
   D368       0.01083  -0.00001  -0.00083   0.00019  -0.00064   0.01019
   D369       0.00564  -0.00000  -0.00010  -0.00005  -0.00016   0.00549
   D370      -3.13977  -0.00000  -0.00031   0.00005  -0.00026  -3.14003
   D371      -3.12683  -0.00000  -0.00062   0.00008  -0.00054  -3.12737
   D372       0.01094  -0.00001  -0.00083   0.00018  -0.00064   0.01029
   D373       0.00864  -0.00000  -0.00017  -0.00002  -0.00019   0.00845
   D374      -3.13939  -0.00000   0.00039  -0.00023   0.00017  -3.13923
   D375      -3.12911  -0.00000   0.00004  -0.00012  -0.00008  -3.12920
   D376       0.00603   0.00000   0.00061  -0.00033   0.00027   0.00631
   D377      -0.00809   0.00000   0.00044  -0.00005   0.00039  -0.00770
   D378       3.12765   0.00000   0.00009   0.00012   0.00021   3.12786
   D379       3.13996   0.00000  -0.00013   0.00016   0.00003   3.14000
   D380      -0.00748   0.00000  -0.00048   0.00033  -0.00015  -0.00763
         Item               Value     Threshold  Converged?
 Maximum Force            0.000164     0.000450     YES
 RMS     Force            0.000025     0.000300     YES
 Maximum Displacement     0.216000     0.001800     NO 
 RMS     Displacement     0.024423     0.001200     NO 
 Predicted change in Energy=-3.438530D-06
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C74H46ClN5
 Framework group  C1[X(C74H46ClN5)]
 Deg. of freedom   372
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        1.256678    2.444681   -0.049054
      2          6           0        1.597013    1.090998   -0.018887
      3          6           0        0.630160    0.069136    0.006011
      4          6           0       -0.732898    0.445564   -0.006490
      5          6           0       -1.082353    1.808493   -0.040663
      6          6           0       -0.111379    2.790139   -0.060509
      7          6           0        0.992885   -1.358124    0.031717
      8          6           0       -0.016481   -2.365397    0.062267
      9          6           0       -1.413323   -1.968808    0.061642
     10          6           0       -1.778707   -0.572436    0.018275
     11          6           0        2.335054   -1.768040    0.036706
     12          6           0        2.715422   -3.112484    0.063979
     13          6           0        1.699125   -4.087532    0.090344
     14          6           0        0.366685   -3.724801    0.089804
     15          7           0       -2.415816   -2.864449    0.099188
     16          6           0       -3.728231   -2.490408    0.086245
     17          6           0       -4.029754   -1.097319    0.027796
     18          7           0       -3.042969   -0.174938    0.001241
     19          6           0       -4.774309   -3.442977    0.125270
     20          6           0       -6.073836   -2.996318    0.104646
     21          6           0       -6.411536   -1.606766    0.047952
     22          6           0       -5.382895   -0.681033    0.012283
     23          6           0        2.306269    3.491708   -0.070831
     24          6           0        4.145315   -3.498489    0.068154
     25          6           0       -7.830600   -1.182721    0.026537
     26          6           0        4.588582   -4.615385    0.797545
     27          6           0        5.931321   -4.976856    0.817783
     28          6           0        6.872099   -4.240371    0.085112
     29          6           0        6.442687   -3.132265   -0.657963
     30          6           0        5.101396   -2.764861   -0.655328
     31          6           0        2.140945    4.665578   -0.825512
     32          6           0        3.126857    5.646261   -0.860980
     33          6           0        4.305684    5.489113   -0.119839
     34          6           0        4.479415    4.329452    0.647444
     35          6           0        3.496746    3.344980    0.661379
     36          6           0       -8.811062   -1.890118    0.743327
     37          6           0      -10.141001   -1.482947    0.740438
     38          6           0      -10.535083   -0.362643   -0.003416
     39          6           0       -9.570073    0.344973   -0.733798
     40          6           0       -8.239368   -0.056683   -0.708922
     41          7           0        5.307721    6.489716   -0.144613
     42          7           0        8.238327   -4.611986    0.092914
     43          7           0      -11.889556    0.047616   -0.019983
     44          6           0        8.743799   -5.889957   -0.188686
     45          6           0       10.156563   -5.859630   -0.078058
     46          6           0       10.522040   -4.507248    0.289157
     47          6           0        9.317669   -3.765490    0.384101
     48          6           0        6.664138    6.286063   -0.436381
     49          6           0        7.341892    7.528882   -0.361701
     50          6           0        6.354383    8.526952   -0.006705
     51          6           0        5.113118    7.853613    0.117247
     52          6           0      -12.359015    1.340921    0.253094
     53          6           0      -13.771563    1.351041    0.135247
     54          6           0      -14.174418    0.008068   -0.227595
     55          6           0      -12.992143   -0.769051   -0.312785
     56          6           0       11.743431   -3.877692    0.553914
     57          6           0       11.749598   -2.533444    0.914146
     58          6           0       10.545744   -1.817368    1.020416
     59          6           0        9.316357   -2.419927    0.761523
     60          6           0        8.065087   -7.050550   -0.569812
     61          6           0        8.823128   -8.193272   -0.816311
     62          6           0       10.222691   -8.184952   -0.694664
     63          6           0       10.894228   -7.021732   -0.330907
     64          6           0        6.418303    9.905540    0.225471
     65          6           0        5.258851   10.587463    0.582134
     66          6           0        4.040077    9.901895    0.716928
     67          6           0        3.948782    8.530068    0.490914
     68          6           0        7.329480    5.111394   -0.797430
     69          6           0        8.695095    5.194343   -1.061203
     70          6           0        9.385272    6.414936   -0.975398
     71          6           0        8.714079    7.584319   -0.630953
     72          6           0      -15.412570   -0.586620   -0.495413
     73          6           0      -15.456077   -1.931856   -0.848891
     74          6           0      -14.273176   -2.683387   -0.945520
     75          6           0      -13.027902   -2.115895   -0.683583
     76          6           0      -11.649234    2.483228    0.632780
     77          6           0      -12.375009    3.648703    0.870345
     78          6           0      -13.773425    3.680325    0.741171
     79          6           0      -14.476351    2.535152    0.378979
     80          1           0       -2.267150   -3.971746    0.162536
     81          1           0        2.648607    0.836274   -0.044037
     82          1           0       -2.134114    2.067794   -0.039830
     83          1           0       -0.402565    3.835462   -0.057070
     84          1           0        3.119552   -1.022869    0.049226
     85          1           0        1.955684   -5.141470    0.083629
     86          1           0       -0.382422   -4.512706    0.104965
     87          1           0       -4.520288   -4.498253    0.161082
     88          1           0       -6.874945   -3.727991    0.104780
     89          1           0       -5.574124    0.385967    0.000216
     90          1           0        3.879964   -5.184651    1.390657
     91          1           0        6.261278   -5.818206    1.417375
     92          1           0        7.160173   -2.579513   -1.254660
     93          1           0        4.784432   -1.922856   -1.262910
     94          1           0        1.246718    4.794540   -1.427338
     95          1           0        2.999125    6.527923   -1.479684
     96          1           0        5.374770    4.217105    1.249267
     97          1           0        3.636792    2.468422    1.286419
     98          1           0       -8.525472   -2.744903    1.348268
     99          1           0      -10.876769   -2.017734    1.331038
    100          1           0       -9.873934    1.192590   -1.338327
    101          1           0       -7.512941    0.486371   -1.305294
    102          1           0       12.673722   -4.434027    0.484298
    103          1           0       12.690848   -2.033646    1.120694
    104          1           0       10.569814   -0.772154    1.314312
    105          1           0        8.391824   -1.862079    0.858826
    106          1           0        6.986559   -7.064849   -0.678700
    107          1           0        8.317605   -9.107742   -1.111910
    108          1           0       10.783254   -9.093430   -0.891660
    109          1           0       11.977298   -7.012867   -0.249051
    110          1           0        7.362648   10.434234    0.133357
    111          1           0        5.295160   11.657148    0.763318
    112          1           0        3.148162   10.449400    1.006856
    113          1           0        3.005942    8.008140    0.609561
    114          1           0        6.803400    4.166850   -0.878266
    115          1           0        9.233963    4.294435   -1.342532
    116          1           0       10.449918    6.444708   -1.185154
    117          1           0        9.246058    8.529754   -0.576754
    118          1           0      -16.326513   -0.003017   -0.433066
    119          1           0      -16.410441   -2.405205   -1.057387
    120          1           0      -14.326164   -3.729043   -1.233619
    121          1           0      -12.120199   -2.701821   -0.773524
    122          1           0      -10.571372    2.466254    0.748060
    123          1           0      -11.844924    4.549492    1.165151
    124          1           0      -14.308693    4.605351    0.931414
    125          1           0      -15.558785    2.557177    0.291690
    126         17           0       -2.348095   -5.783241    0.283901
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           0.0230065           0.0074960           0.0056906
 Standard basis: 6-31G(d,p) (6D, 7F)
 There are  1434 symmetry adapted cartesian basis functions of A   symmetry.
 There are  1434 symmetry adapted basis functions of A   symmetry.
  1434 basis functions,  2586 primitive gaussians,  1434 cartesian basis functions
   271 alpha electrons      271 beta electrons
       nuclear repulsion energy     10549.6577573312 Hartrees.
 NAtoms=  126 NActive=  126 NUniq=  126 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=T Big=T
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 One-electron integrals computed using PRISM.
 NBasis=  1434 RedAO= T EigKep=  1.50D-04  NBF=  1434
 NBsUse=  1434 1.00D-06 EigRej= -1.00D+00 NBFU=  1434
 Initial guess from the checkpoint file:  "ph.chk"
 B after Tr=    -0.000000    0.000000    0.000000
         Rot=    1.000000   -0.000089    0.000003   -0.000003 Ang=  -0.01 deg.
 ExpMin= 1.43D-01 ExpMax= 2.52D+04 ExpMxC= 3.78D+03 IAcc=2 IRadAn=         4 AccDes= 0.00D+00
 Harris functional with IExCor=  402 and IRadAn=       4 diagonalized for initial guess.
 HarFok:  IExCor=  402 AccDes= 0.00D+00 IRadAn=         4 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=        2001
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Petite list used in FoFCou.
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Integral accuracy reduced to 1.0D-05 until final iterations.
 Initial convergence to 1.0D-05 achieved.  Increase integral accuracy.
 SCF Done:  E(RB3LYP) =  -3581.78141907     A.U. after   10 cycles
            NFock= 10  Conv=0.46D-08     -V/T= 2.0089
 Calling FoFJK, ICntrl=      2127 FMM=T ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000085667    0.000045215   -0.000013115
      2        6           0.000005791   -0.000008651   -0.000018452
      3        6          -0.000037165   -0.000045680    0.000007393
      4        6           0.000039425    0.000002007   -0.000012920
      5        6          -0.000011716    0.000007235    0.000018967
      6        6           0.000025782    0.000001104    0.000017813
      7        6          -0.000110330    0.000043082   -0.000033423
      8        6           0.000152322    0.000011075    0.000018898
      9        6          -0.000070634   -0.000205050    0.000071724
     10        6          -0.000001346    0.000145488    0.000000674
     11        6           0.000042213    0.000050505    0.000037453
     12        6          -0.000097008   -0.000095731    0.000010067
     13        6           0.000036233   -0.000009728   -0.000026481
     14        6          -0.000027532    0.000012110   -0.000023897
     15        7           0.000244538   -0.000111502   -0.000065374
     16        6          -0.000168527    0.000103291   -0.000002921
     17        6           0.000002616   -0.000004674    0.000015022
     18        7          -0.000025751   -0.000003179   -0.000040097
     19        6           0.000029050   -0.000027335   -0.000037129
     20        6           0.000021123    0.000018283    0.000055820
     21        6          -0.000071747   -0.000089259   -0.000000286
     22        6           0.000009014    0.000008959   -0.000036202
     23        6           0.000099169   -0.000038817    0.000016924
     24        6           0.000120133    0.000074501   -0.000003610
     25        6           0.000062467    0.000061582    0.000017725
     26        6          -0.000024330   -0.000052655    0.000034172
     27        6           0.000013597    0.000000084   -0.000006127
     28        6          -0.000027943   -0.000014085    0.000004324
     29        6           0.000013434    0.000008629    0.000010079
     30        6          -0.000054098    0.000008979   -0.000029811
     31        6          -0.000007900    0.000034465   -0.000034156
     32        6          -0.000018453   -0.000011723    0.000018817
     33        6           0.000036421   -0.000014022    0.000007207
     34        6           0.000013581    0.000008636   -0.000025511
     35        6          -0.000048911   -0.000015329    0.000017720
     36        6           0.000002502    0.000009080   -0.000022192
     37        6           0.000008083   -0.000027893    0.000002669
     38        6           0.000021978    0.000042121    0.000021799
     39        6           0.000025713    0.000014722   -0.000020219
     40        6          -0.000018151   -0.000038180    0.000022280
     41        7          -0.000136102    0.000076224   -0.000013844
     42        7          -0.000050394   -0.000038272   -0.000012705
     43        7           0.000011348    0.000008927   -0.000027533
     44        6           0.000049548    0.000087333    0.000008644
     45        6          -0.000041040   -0.000013142   -0.000044584
     46        6          -0.000029036   -0.000029002    0.000047619
     47        6           0.000096439    0.000000038   -0.000000143
     48        6           0.000133417    0.000020202    0.000048908
     49        6          -0.000026467    0.000047153   -0.000038175
     50        6          -0.000059947   -0.000000308    0.000026805
     51        6           0.000063827   -0.000125578   -0.000026197
     52        6          -0.000040747   -0.000057805    0.000036182
     53        6           0.000024898    0.000024024    0.000061179
     54        6           0.000031591    0.000014374   -0.000061225
     55        6          -0.000066812   -0.000017843   -0.000018445
     56        6          -0.000014414    0.000022992   -0.000045772
     57        6          -0.000025624   -0.000039558    0.000027474
     58        6           0.000039087    0.000012971   -0.000003997
     59        6          -0.000019048    0.000022157   -0.000000021
     60        6           0.000009322   -0.000027477   -0.000004841
     61        6           0.000027591    0.000029499    0.000003770
     62        6          -0.000045917   -0.000004638   -0.000025854
     63        6           0.000013626   -0.000022414    0.000044271
     64        6           0.000022681    0.000029866   -0.000036970
     65        6          -0.000054884    0.000001862    0.000021513
     66        6           0.000034588   -0.000032933    0.000001161
     67        6           0.000009969    0.000034211    0.000010613
     68        6          -0.000020273   -0.000029006   -0.000011273
     69        6           0.000044588   -0.000011990    0.000009706
     70        6          -0.000025891    0.000041535   -0.000032056
     71        6          -0.000020445   -0.000031581    0.000036343
     72        6           0.000012771   -0.000018453    0.000050312
     73        6           0.000022298    0.000038814   -0.000022426
     74        6          -0.000031879   -0.000012852    0.000004113
     75        6           0.000016667   -0.000018421    0.000008239
     76        6          -0.000007671    0.000020467   -0.000008499
     77        6          -0.000025626   -0.000024944   -0.000004219
     78        6           0.000043742    0.000004450    0.000022915
     79        6          -0.000011280    0.000019469   -0.000048942
     80        1          -0.000012602    0.000025662    0.000051786
     81        1           0.000015247    0.000014557    0.000020585
     82        1           0.000001668   -0.000000797    0.000000726
     83        1           0.000001205   -0.000003457    0.000008313
     84        1           0.000016736   -0.000016629   -0.000038852
     85        1           0.000004451    0.000009801    0.000008651
     86        1          -0.000022579    0.000007983   -0.000000739
     87        1          -0.000001930    0.000009182    0.000017944
     88        1           0.000007054    0.000003201   -0.000030544
     89        1           0.000016912    0.000013500    0.000001855
     90        1          -0.000009426    0.000001497   -0.000012486
     91        1          -0.000002012   -0.000013194    0.000007480
     92        1          -0.000011337    0.000006273   -0.000009344
     93        1          -0.000000097   -0.000001476    0.000008946
     94        1          -0.000010283   -0.000000550    0.000012000
     95        1          -0.000000575    0.000019338   -0.000010350
     96        1          -0.000017657   -0.000007983    0.000009839
     97        1           0.000001818    0.000003207   -0.000009310
     98        1          -0.000004009   -0.000002226   -0.000008141
     99        1           0.000005166    0.000000962   -0.000001069
    100        1          -0.000003981    0.000008546   -0.000000844
    101        1          -0.000017652    0.000001212    0.000002534
    102        1           0.000003384   -0.000003147    0.000011440
    103        1           0.000004293    0.000001508   -0.000011559
    104        1          -0.000000576    0.000002957    0.000003795
    105        1           0.000008566    0.000004983    0.000007339
    106        1           0.000010892    0.000006642   -0.000006288
    107        1           0.000002767   -0.000001436   -0.000003892
    108        1           0.000003265    0.000002742    0.000010876
    109        1          -0.000001450    0.000004739   -0.000011164
    110        1          -0.000002988   -0.000004292    0.000010634
    111        1           0.000004400   -0.000003194   -0.000012193
    112        1           0.000001237    0.000002242    0.000004229
    113        1           0.000010311   -0.000009633    0.000010776
    114        1           0.000014156   -0.000002897   -0.000007152
    115        1          -0.000000883   -0.000003208   -0.000004492
    116        1           0.000002423   -0.000001060    0.000013115
    117        1           0.000004208    0.000003403   -0.000009965
    118        1          -0.000003596    0.000003132   -0.000011808
    119        1          -0.000004171   -0.000002866    0.000009139
    120        1           0.000000756   -0.000001659   -0.000002504
    121        1          -0.000002304   -0.000002487   -0.000004113
    122        1          -0.000009223   -0.000005220    0.000006897
    123        1          -0.000001617    0.000000967    0.000002846
    124        1          -0.000004051   -0.000002571   -0.000009613
    125        1           0.000001759   -0.000004777    0.000010939
    126       17          -0.000070154    0.000038514    0.000006067
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000244538 RMS     0.000038577

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.000171366 RMS     0.000018620
 Search for a local minimum.
 Step number  20 out of a maximum of  756
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points   13   14   15   16   17
                                                     18   19   20
 DE= -1.09D-05 DEPred=-3.44D-06 R= 3.17D+00
 TightC=F SS=  1.41D+00  RLast= 6.56D-02 DXNew= 5.0454D+00 1.9684D-01
 Trust test= 3.17D+00 RLast= 6.56D-02 DXMaxT set to 3.00D+00
 ITU=  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  0  1  0
     Eigenvalues ---    0.00184   0.00703   0.00798   0.01632   0.02439
     Eigenvalues ---    0.02576   0.02624   0.02669   0.02682   0.02692
     Eigenvalues ---    0.02695   0.02703   0.02705   0.02707   0.02708
     Eigenvalues ---    0.02712   0.02715   0.02719   0.02728   0.02732
     Eigenvalues ---    0.02744   0.02753   0.02759   0.02763   0.02768
     Eigenvalues ---    0.02769   0.02774   0.02776   0.02786   0.02786
     Eigenvalues ---    0.02787   0.02791   0.02792   0.02792   0.02793
     Eigenvalues ---    0.02793   0.02793   0.02793   0.02797   0.02801
     Eigenvalues ---    0.02802   0.02802   0.02802   0.02803   0.02803
     Eigenvalues ---    0.02806   0.02808   0.02809   0.02809   0.02809
     Eigenvalues ---    0.02809   0.02811   0.02816   0.02818   0.02818
     Eigenvalues ---    0.02818   0.02819   0.02819   0.02820   0.02828
     Eigenvalues ---    0.02834   0.02837   0.02838   0.02845   0.02845
     Eigenvalues ---    0.02845   0.02845   0.02845   0.02847   0.02852
     Eigenvalues ---    0.02860   0.02863   0.02868   0.02868   0.02868
     Eigenvalues ---    0.02869   0.02872   0.02872   0.02874   0.02876
     Eigenvalues ---    0.02877   0.02877   0.02877   0.02877   0.02880
     Eigenvalues ---    0.02882   0.02884   0.02884   0.02885   0.02885
     Eigenvalues ---    0.02885   0.02885   0.02885   0.02885   0.02890
     Eigenvalues ---    0.02894   0.02895   0.02896   0.02898   0.02898
     Eigenvalues ---    0.02899   0.02900   0.02901   0.02901   0.02909
     Eigenvalues ---    0.02910   0.02912   0.02927   0.02941   0.02943
     Eigenvalues ---    0.02968   0.03025   0.03025   0.03026   0.03070
     Eigenvalues ---    0.03101   0.03136   0.03136   0.03137   0.03149
     Eigenvalues ---    0.03191   0.03314   0.03341   0.05400   0.10610
     Eigenvalues ---    0.15654   0.15729   0.15881   0.15982   0.15985
     Eigenvalues ---    0.15985   0.15987   0.15988   0.15992   0.15994
     Eigenvalues ---    0.15995   0.15995   0.15996   0.15997   0.15997
     Eigenvalues ---    0.15997   0.15998   0.15999   0.15999   0.15999
     Eigenvalues ---    0.15999   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16002   0.16008
     Eigenvalues ---    0.16023   0.16044   0.16062   0.16074   0.16162
     Eigenvalues ---    0.17671   0.21633   0.22000   0.22000   0.22000
     Eigenvalues ---    0.22000   0.22000   0.22002   0.22002   0.22003
     Eigenvalues ---    0.22124   0.22441   0.22455   0.22598   0.22601
     Eigenvalues ---    0.22602   0.22602   0.22602   0.22678   0.22697
     Eigenvalues ---    0.22958   0.22966   0.23082   0.23390   0.23493
     Eigenvalues ---    0.23569   0.23913   0.23990   0.24010   0.24379
     Eigenvalues ---    0.24484   0.24484   0.24484   0.24525   0.24531
     Eigenvalues ---    0.24636   0.24702   0.24955   0.24965   0.24981
     Eigenvalues ---    0.24981   0.24982   0.24982   0.24982   0.24993
     Eigenvalues ---    0.24996   0.25000   0.25000   0.25000   0.25000
     Eigenvalues ---    0.25000   0.25001   0.25004   0.25010   0.25012
     Eigenvalues ---    0.25062   0.25140   0.25274   0.25466   0.25892
     Eigenvalues ---    0.26149   0.33248   0.33252   0.33254   0.33255
     Eigenvalues ---    0.33257   0.33257   0.33280   0.33299   0.33390
     Eigenvalues ---    0.33393   0.33396   0.33399   0.33401   0.33429
     Eigenvalues ---    0.33562   0.33567   0.33570   0.33572   0.33577
     Eigenvalues ---    0.33613   0.33615   0.33623   0.33643   0.33647
     Eigenvalues ---    0.33653   0.33663   0.33692   0.33712   0.33724
     Eigenvalues ---    0.33731   0.33813   0.33819   0.33830   0.33833
     Eigenvalues ---    0.33838   0.33847   0.33897   0.33929   0.33931
     Eigenvalues ---    0.33933   0.33936   0.33942   0.34877   0.34985
     Eigenvalues ---    0.35051   0.35548   0.44442   0.44443   0.44445
     Eigenvalues ---    0.45053   0.48044   0.48776   0.48870   0.48967
     Eigenvalues ---    0.48982   0.49303   0.49384   0.49626   0.49810
     Eigenvalues ---    0.49812   0.49828   0.49932   0.49970   0.50049
     Eigenvalues ---    0.50123   0.50403   0.50409   0.50610   0.50612
     Eigenvalues ---    0.50616   0.51248   0.51728   0.52312   0.52503
     Eigenvalues ---    0.52817   0.53120   0.53567   0.54101   0.54108
     Eigenvalues ---    0.54201   0.54204   0.54205   0.54567   0.54744
     Eigenvalues ---    0.54902   0.55102   0.55177   0.55263   0.55317
     Eigenvalues ---    0.55340   0.55350   0.55383   0.55393   0.55428
     Eigenvalues ---    0.55543   0.55656   0.55708   0.55712   0.55730
     Eigenvalues ---    0.55948   0.55951   0.56059   0.56145   0.56147
     Eigenvalues ---    0.56147   0.56231   0.56272   0.56288   0.56312
     Eigenvalues ---    0.56514   0.56662   0.56664   0.56669   0.56670
     Eigenvalues ---    0.56676   0.56711   0.56761   0.56821   0.56906
     Eigenvalues ---    0.56910   0.57018   0.57169   0.57171   0.57172
     Eigenvalues ---    0.57181   0.57183   0.57318   0.60275   0.62985
     Eigenvalues ---    0.64909   0.66092   0.66136   0.66855   0.67693
     Eigenvalues ---    0.67701   0.67704   0.69102   0.70111   0.70190
     Eigenvalues ---    0.73845   0.76172
 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF=       -3 using points:    20   19   18   17   16   15   14   13   12   11
 RFO step:  Lambda=-4.37810327D-06.
 DIIS inversion failure, remove point  10.
 DIIS inversion failure, remove point   9.
 RFO-DIIS uses    8 points instead of   10
 DidBck=F Rises=F RFO-DIIS coefs:    1.19494    0.71105   -1.68937    0.54685    0.85142
                  RFO-DIIS coefs:   -0.91108    0.26683    0.02935    0.00000    0.00000
 Iteration  1 RMS(Cart)=  0.00950891 RMS(Int)=  0.00002534
 Iteration  2 RMS(Cart)=  0.00006646 RMS(Int)=  0.00000460
 Iteration  3 RMS(Cart)=  0.00000000 RMS(Int)=  0.00000460
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        2.63831   0.00002  -0.00006   0.00008   0.00002   2.63833
    R2        2.66649   0.00002   0.00001   0.00000   0.00001   2.66650
    R3        2.80188  -0.00005  -0.00000  -0.00003  -0.00004   2.80185
    R4        2.65883   0.00001   0.00006  -0.00002   0.00004   2.65887
    R5        2.04525  -0.00002   0.00010  -0.00016  -0.00006   2.04519
    R6        2.67233   0.00003   0.00005  -0.00002   0.00002   2.67236
    R7        2.78329  -0.00000  -0.00007   0.00003  -0.00004   2.78325
    R8        2.65966   0.00000  -0.00004   0.00003  -0.00001   2.65965
    R9        2.75839  -0.00001  -0.00000  -0.00006  -0.00007   2.75832
   R10        2.60947  -0.00001   0.00003  -0.00002   0.00001   2.60948
   R11        2.04705   0.00000  -0.00002   0.00002  -0.00000   2.04705
   R12        2.05059  -0.00000   0.00005  -0.00007  -0.00002   2.05058
   R13        2.69533   0.00009   0.00009   0.00010   0.00019   2.69552
   R14        2.65200  -0.00002   0.00006  -0.00008  -0.00003   2.65198
   R15        2.74398  -0.00007  -0.00014  -0.00004  -0.00017   2.74381
   R16        2.66950  -0.00001   0.00009  -0.00007   0.00002   2.66952
   R17        2.72883   0.00012   0.00004   0.00022   0.00026   2.72909
   R18        2.54137   0.00002   0.00027  -0.00010   0.00018   2.54154
   R19        2.50462  -0.00002   0.00005  -0.00006  -0.00002   2.50460
   R20        2.64086   0.00005  -0.00005   0.00012   0.00007   2.64092
   R21        2.04481  -0.00002   0.00009  -0.00014  -0.00005   2.04476
   R22        2.66195   0.00001  -0.00006   0.00004  -0.00003   2.66192
   R23        2.79884  -0.00007   0.00001  -0.00007  -0.00006   2.79878
   R24        2.60958  -0.00002   0.00002  -0.00003  -0.00001   2.60957
   R25        2.04985  -0.00001   0.00008  -0.00010  -0.00002   2.04983
   R26        2.05467  -0.00002   0.00019  -0.00015   0.00004   2.05471
   R27        2.57898  -0.00006   0.00017  -0.00029  -0.00011   2.57887
   R28        2.11465  -0.00005  -0.00133   0.00016  -0.00116   2.11349
   R29        5.52823  -0.00003   0.00191  -0.00127   0.00063   5.52886
   R30        2.69578   0.00001   0.00014  -0.00012   0.00002   2.69580
   R31        2.67461   0.00005   0.00013  -0.00011   0.00002   2.67463
   R32        2.55304   0.00001  -0.00023   0.00007  -0.00017   2.55288
   R33        2.67550   0.00001   0.00011  -0.00005   0.00006   2.67556
   R34        2.59705  -0.00000   0.00013  -0.00011   0.00003   2.59708
   R35        2.05226  -0.00001   0.00012  -0.00009   0.00003   2.05229
   R36        2.70443  -0.00004  -0.00022   0.00009  -0.00013   2.70430
   R37        2.05026   0.00000   0.00001   0.00000   0.00001   2.05027
   R38        2.61599  -0.00000  -0.00018   0.00016  -0.00003   2.61597
   R39        2.79910   0.00005  -0.00005   0.00017   0.00013   2.79923
   R40        2.04859   0.00001   0.00009  -0.00007   0.00002   2.04861
   R41        2.65562   0.00003  -0.00003   0.00007   0.00004   2.65566
   R42        2.65565   0.00004  -0.00005   0.00009   0.00004   2.65569
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    A6        2.09112  -0.00001   0.00005  -0.00010  -0.00005   2.09107
    A7        2.05881  -0.00002   0.00001  -0.00009  -0.00008   2.05873
    A8        2.13515   0.00003   0.00002   0.00009   0.00012   2.13526
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   A11        2.09994   0.00001   0.00001   0.00003   0.00003   2.09997
   A12        2.09195  -0.00001  -0.00003  -0.00002  -0.00004   2.09191
   A13        2.11084   0.00001  -0.00002   0.00005   0.00003   2.11086
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   A18        2.08987  -0.00000  -0.00014   0.00010  -0.00005   2.08982
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   A21        2.06060  -0.00002   0.00005  -0.00011  -0.00005   2.06056
   A22        2.08045   0.00002   0.00011  -0.00006   0.00005   2.08050
   A23        2.08067  -0.00002  -0.00008  -0.00003  -0.00011   2.08056
   A24        2.12206   0.00000  -0.00002   0.00009   0.00006   2.12213
   A25        2.10311  -0.00002  -0.00009   0.00001  -0.00009   2.10302
   A26        2.13553   0.00002   0.00022   0.00010   0.00030   2.13583
   A27        2.04454   0.00000  -0.00013  -0.00011  -0.00021   2.04433
   A28        2.08704   0.00000   0.00009  -0.00001   0.00007   2.08711
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   A30        2.13147  -0.00001  -0.00019   0.00030   0.00011   2.13158
   A31        2.14288   0.00003  -0.00010   0.00022   0.00012   2.14300
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   A36        2.11307   0.00003   0.00005   0.00008   0.00013   2.11320
   A37        2.11100   0.00000  -0.00006   0.00006   0.00001   2.11101
   A38        2.09645   0.00001   0.00019  -0.00009   0.00010   2.09655
   A39        2.07536  -0.00001  -0.00013   0.00003  -0.00010   2.07526
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   A41        2.10684  -0.00001   0.00015  -0.00014   0.00001   2.10685
   A42        2.06511  -0.00002  -0.00018   0.00006  -0.00013   2.06498
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   A44        2.16706   0.00001  -0.00001  -0.00031  -0.00034   2.16671
   A45        2.27705  -0.00014  -0.00039   0.00029  -0.00018   2.27687
   A46        1.98177   0.00003  -0.00006   0.00049   0.00041   1.98218
   A47        1.87163   0.00017   0.00050  -0.00011   0.00032   1.87195
   A48        2.06156   0.00005  -0.00024   0.00034   0.00012   2.06168
   A49        2.12473  -0.00005   0.00030  -0.00061  -0.00032   2.12442
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   A53        2.09107   0.00001   0.00006   0.00013   0.00019   2.09126
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   A122       2.19649  -0.00002  -0.00008   0.00002  -0.00006   2.19644
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   A124       2.19650  -0.00002  -0.00004  -0.00002  -0.00006   2.19644
   A125       2.19620  -0.00001  -0.00003  -0.00001  -0.00004   2.19616
   A126       1.89048   0.00003   0.00008   0.00002   0.00010   1.89058
   A127       2.19600  -0.00002  -0.00006   0.00000  -0.00006   2.19594
   A128       2.19667  -0.00000  -0.00003   0.00004   0.00001   2.19668
   A129       1.89052   0.00002   0.00009  -0.00004   0.00005   1.89057
   A130       1.90073   0.00000   0.00002  -0.00003  -0.00001   1.90072
   A131       2.26051  -0.00001   0.00005  -0.00005   0.00000   2.26052
   A132       2.12133   0.00001  -0.00005   0.00007   0.00002   2.12135
   A133       1.86639  -0.00002  -0.00006   0.00002  -0.00004   1.86634
   A134       2.08691  -0.00001  -0.00000  -0.00003  -0.00003   2.08687
   A135       2.32982   0.00002   0.00006   0.00001   0.00007   2.32990
   A136       1.86627  -0.00002  -0.00005   0.00000  -0.00004   1.86622
   A137       2.33001   0.00003   0.00005   0.00002   0.00008   2.33009
   A138       2.08684  -0.00001  -0.00001  -0.00003  -0.00003   2.08680
   A139       1.90091   0.00000   0.00001  -0.00002  -0.00001   1.90091
   A140       2.26087  -0.00001   0.00006  -0.00005   0.00001   2.26088
   A141       2.12078   0.00001  -0.00005   0.00006   0.00001   2.12079
   A142       1.90094   0.00000   0.00001  -0.00002  -0.00001   1.90093
   A143       2.26056  -0.00001   0.00007  -0.00008  -0.00001   2.26055
   A144       2.12108   0.00001  -0.00006   0.00010   0.00004   2.12112
   A145       1.86619  -0.00003  -0.00005  -0.00000  -0.00005   1.86613
   A146       2.08677  -0.00001  -0.00000  -0.00005  -0.00005   2.08673
   A147       2.33015   0.00004   0.00005   0.00005   0.00010   2.33025
   A148       1.86623  -0.00002  -0.00006   0.00001  -0.00005   1.86618
   A149       2.33010   0.00004   0.00007   0.00003   0.00010   2.33019
   A150       2.08679  -0.00001  -0.00001  -0.00004  -0.00005   2.08674
   A151       1.90089   0.00000   0.00003  -0.00004  -0.00001   1.90088
   A152       2.26052  -0.00001   0.00003  -0.00004  -0.00001   2.26051
   A153       2.12118   0.00001  -0.00004   0.00007   0.00003   2.12121
   A154       1.90066   0.00001  -0.00002   0.00003   0.00001   1.90066
   A155       2.26085  -0.00001   0.00008  -0.00005   0.00003   2.26088
   A156       2.12105   0.00000  -0.00004   0.00001  -0.00003   2.12101
   A157       1.86649  -0.00001  -0.00003   0.00000  -0.00003   1.86646
   A158       2.08685  -0.00001   0.00004  -0.00003   0.00001   2.08686
   A159       2.32978   0.00002  -0.00000   0.00002   0.00002   2.32980
   A160       1.86654  -0.00001  -0.00002  -0.00001  -0.00002   1.86652
   A161       2.32966   0.00001  -0.00001   0.00002   0.00001   2.32967
   A162       2.08691  -0.00000   0.00003  -0.00002   0.00002   2.08693
   A163       1.90058  -0.00000  -0.00003   0.00002  -0.00001   1.90057
   A164       2.26077   0.00001   0.00008  -0.00002   0.00006   2.26083
   A165       2.12121  -0.00000  -0.00004  -0.00001  -0.00005   2.12116
   A166       2.07989  -0.00000   0.00003  -0.00002   0.00001   2.07991
   A167       2.10017  -0.00001   0.00006  -0.00009  -0.00003   2.10014
   A168       2.10311   0.00001  -0.00009   0.00011   0.00002   2.10312
   A169       2.10384   0.00000  -0.00003   0.00003   0.00001   2.10385
   A170       2.09187   0.00000   0.00001   0.00001   0.00002   2.09189
   A171       2.08746  -0.00001   0.00002  -0.00005  -0.00003   2.08743
   A172       2.11956   0.00001  -0.00000   0.00001   0.00001   2.11957
   A173       2.08527  -0.00000  -0.00004   0.00002  -0.00002   2.08526
   A174       2.07834  -0.00000   0.00004  -0.00003   0.00001   2.07835
   A175       2.05525  -0.00001   0.00006  -0.00006  -0.00000   2.05525
   A176       2.11818  -0.00000   0.00002  -0.00003  -0.00001   2.11817
   A177       2.10972   0.00001  -0.00008   0.00010   0.00002   2.10973
   A178       2.05462  -0.00001   0.00005  -0.00007  -0.00002   2.05460
   A179       2.11943  -0.00000   0.00003  -0.00004  -0.00001   2.11943
   A180       2.10911   0.00001  -0.00008   0.00011   0.00002   2.10913
   A181       2.11981   0.00001   0.00000   0.00001   0.00002   2.11982
   A182       2.07781  -0.00001   0.00004  -0.00005  -0.00000   2.07781
   A183       2.08556  -0.00000  -0.00005   0.00003  -0.00002   2.08555
   A184       2.10407   0.00000  -0.00003   0.00003   0.00001   2.10408
   A185       2.08722  -0.00001   0.00002  -0.00004  -0.00003   2.08720
   A186       2.09188   0.00000   0.00001   0.00001   0.00002   2.09190
   A187       2.07944  -0.00000   0.00003  -0.00002   0.00001   2.07945
   A188       2.10040  -0.00001   0.00007  -0.00010  -0.00003   2.10037
   A189       2.10334   0.00001  -0.00010   0.00012   0.00002   2.10336
   A190       2.07966  -0.00000   0.00002  -0.00001   0.00001   2.07967
   A191       2.10032  -0.00001   0.00007  -0.00010  -0.00002   2.10030
   A192       2.10319   0.00001  -0.00010   0.00011   0.00001   2.10320
   A193       2.10398   0.00000  -0.00002   0.00003   0.00001   2.10400
   A194       2.09184   0.00000   0.00000   0.00001   0.00001   2.09185
   A195       2.08735  -0.00001   0.00002  -0.00004  -0.00003   2.08732
   A196       2.11971   0.00001  -0.00000   0.00002   0.00001   2.11972
   A197       2.08531  -0.00000  -0.00004   0.00002  -0.00002   2.08529
   A198       2.07816  -0.00000   0.00005  -0.00004   0.00001   2.07817
   A199       2.05486  -0.00001   0.00005  -0.00007  -0.00002   2.05484
   A200       2.11858  -0.00001  -0.00000  -0.00003  -0.00003   2.11855
   A201       2.10972   0.00002  -0.00005   0.00010   0.00005   2.10977
   A202       2.05501  -0.00001   0.00007  -0.00008  -0.00002   2.05499
   A203       2.11829  -0.00001   0.00001  -0.00004  -0.00003   2.11826
   A204       2.10986   0.00002  -0.00007   0.00012   0.00005   2.10991
   A205       2.11961   0.00001  -0.00001   0.00001   0.00001   2.11962
   A206       2.07835  -0.00000   0.00005  -0.00004   0.00001   2.07836
   A207       2.08521  -0.00000  -0.00005   0.00003  -0.00002   2.08519
   A208       2.10397   0.00000  -0.00002   0.00004   0.00002   2.10398
   A209       2.08733  -0.00001   0.00002  -0.00005  -0.00003   2.08730
   A210       2.09188   0.00000   0.00000   0.00001   0.00002   2.09189
   A211       2.07973  -0.00000   0.00003  -0.00002   0.00001   2.07974
   A212       2.10030  -0.00001   0.00008  -0.00010  -0.00002   2.10028
   A213       2.10313   0.00001  -0.00011   0.00012   0.00001   2.10315
   A214       2.07953   0.00000  -0.00001   0.00002   0.00001   2.07954
   A215       2.10035  -0.00001   0.00004  -0.00008  -0.00004   2.10031
   A216       2.10329   0.00001  -0.00003   0.00006   0.00003   2.10331
   A217       2.10402   0.00000  -0.00004   0.00002  -0.00002   2.10400
   A218       2.09187   0.00001   0.00001   0.00003   0.00004   2.09191
   A219       2.08728  -0.00001   0.00003  -0.00005  -0.00002   2.08726
   A220       2.11970   0.00001   0.00004  -0.00002   0.00002   2.11973
   A221       2.08554  -0.00000   0.00000  -0.00002  -0.00002   2.08552
   A222       2.07794  -0.00000  -0.00005   0.00004  -0.00001   2.07793
   A223       2.05478  -0.00000   0.00002   0.00000   0.00002   2.05480
   A224       2.11939   0.00000   0.00008  -0.00006   0.00002   2.11941
   A225       2.10898   0.00000  -0.00010   0.00006  -0.00004   2.10894
   A226       2.05499  -0.00001   0.00002  -0.00001   0.00001   2.05500
   A227       2.11890  -0.00000   0.00008  -0.00007   0.00001   2.11891
   A228       2.10927   0.00001  -0.00009   0.00007  -0.00002   2.10924
   A229       2.11962   0.00001   0.00004  -0.00002   0.00002   2.11964
   A230       2.07812  -0.00000  -0.00005   0.00004  -0.00001   2.07811
   A231       2.08544  -0.00000   0.00000  -0.00001  -0.00001   2.08542
   A232       2.10394   0.00000  -0.00005   0.00004  -0.00002   2.10392
   A233       2.08742  -0.00001   0.00003  -0.00006  -0.00002   2.08740
   A234       2.09182   0.00001   0.00002   0.00002   0.00004   2.09185
   A235       2.07972  -0.00000  -0.00000   0.00001   0.00001   2.07973
   A236       2.10026  -0.00001   0.00003  -0.00007  -0.00004   2.10022
   A237       2.10318   0.00001  -0.00003   0.00006   0.00003   2.10321
    D1       -0.00481  -0.00000  -0.00023   0.00004  -0.00019  -0.00500
    D2        3.10641  -0.00001  -0.00044  -0.00030  -0.00075   3.10566
    D3        3.13858  -0.00000  -0.00008  -0.00002  -0.00010   3.13848
    D4       -0.03338  -0.00001  -0.00029  -0.00036  -0.00066  -0.03404
    D5        0.00129   0.00000   0.00007  -0.00021  -0.00013   0.00116
    D6        3.11313   0.00000   0.00038  -0.00007   0.00031   3.11345
    D7        3.14109   0.00000  -0.00008  -0.00014  -0.00022   3.14086
    D8       -0.03026   0.00000   0.00023  -0.00001   0.00022  -0.03004
    D9        2.49240   0.00003  -0.00007   0.00094   0.00088   2.49328
   D10       -0.65007   0.00003  -0.00011   0.00098   0.00087  -0.64920
   D11       -0.64735   0.00003   0.00009   0.00088   0.00097  -0.64638
   D12        2.49337   0.00003   0.00004   0.00092   0.00096   2.49433
   D13        0.00505   0.00000   0.00028   0.00020   0.00048   0.00553
   D14        3.13670   0.00000   0.00019   0.00022   0.00041   3.13711
   D15       -3.10554   0.00001   0.00049   0.00055   0.00104  -3.10450
   D16        0.02610   0.00001   0.00041   0.00057   0.00097   0.02708
   D17       -0.00181  -0.00000  -0.00016  -0.00028  -0.00045  -0.00225
   D18       -3.14150  -0.00001  -0.00068  -0.00045  -0.00113   3.14056
   D19       -3.13372   0.00000  -0.00008  -0.00030  -0.00038  -3.13410
   D20        0.00978  -0.00000  -0.00060  -0.00047  -0.00106   0.00871
   D21        3.13694   0.00002   0.00275   0.00063   0.00337   3.14031
   D22        0.00347   0.00002   0.00295   0.00063   0.00358   0.00705
   D23       -0.01477   0.00002   0.00266   0.00064   0.00330  -0.01147
   D24        3.13494   0.00002   0.00287   0.00064   0.00351   3.13845
   D25       -0.00153  -0.00000   0.00001   0.00013   0.00014  -0.00139
   D26       -3.13141  -0.00000  -0.00026   0.00016  -0.00009  -3.13151
   D27        3.13817   0.00000   0.00052   0.00030   0.00082   3.13899
   D28        0.00828   0.00000   0.00026   0.00033   0.00059   0.00887
   D29        0.00474  -0.00002  -0.00265  -0.00000  -0.00265   0.00209
   D30       -3.13802  -0.00001  -0.00158  -0.00024  -0.00181  -3.13984
   D31       -3.13494  -0.00002  -0.00316  -0.00017  -0.00334  -3.13828
   D32        0.00548  -0.00002  -0.00209  -0.00041  -0.00250   0.00298
   D33        0.00181   0.00000   0.00004   0.00012   0.00016   0.00196
   D34       -3.11003  -0.00000  -0.00028  -0.00001  -0.00029  -3.11032
   D35        3.13139   0.00000   0.00031   0.00008   0.00040   3.13178
   D36        0.01955  -0.00000  -0.00000  -0.00005  -0.00005   0.01950
   D37        0.00488  -0.00002  -0.00141  -0.00033  -0.00174   0.00315
   D38       -3.13882  -0.00001  -0.00005  -0.00020  -0.00025  -3.13907
   D39        3.13861  -0.00002  -0.00161  -0.00033  -0.00194   3.13667
   D40       -0.00509  -0.00001  -0.00025  -0.00020  -0.00045  -0.00554
   D41        3.13893   0.00001   0.00077  -0.00002   0.00075   3.13967
   D42        0.02954   0.00002   0.00122   0.00032   0.00153   0.03107
   D43        0.00525   0.00001   0.00097  -0.00002   0.00095   0.00620
   D44       -3.10414   0.00002   0.00142   0.00031   0.00173  -3.10240
   D45        0.00983   0.00000  -0.00189  -0.00015  -0.00203   0.00779
   D46       -3.13304   0.00001  -0.00100   0.00037  -0.00064  -3.13368
   D47       -3.12961  -0.00001  -0.00328  -0.00028  -0.00356  -3.13316
   D48        0.01071   0.00000  -0.00239   0.00023  -0.00216   0.00855
   D49        0.00240  -0.00000  -0.00083   0.00033  -0.00051   0.00189
   D50       -3.13259   0.00000   0.00025   0.00008   0.00032  -3.13226
   D51       -3.14135   0.00001   0.00056   0.00046   0.00102  -3.14034
   D52        0.00684   0.00001   0.00163   0.00021   0.00185   0.00869
   D53       -0.01473   0.00002   0.00392   0.00032   0.00424  -0.01050
   D54        3.12808   0.00002   0.00280   0.00057   0.00336   3.13144
   D55        3.12807   0.00001   0.00308  -0.00017   0.00291   3.13098
   D56       -0.01230   0.00000   0.00196   0.00008   0.00204  -0.01027
   D57       -3.13093  -0.00002  -0.00360  -0.00024  -0.00385  -3.13478
   D58        0.03130  -0.00003  -0.01069  -0.00036  -0.01106   0.02025
   D59        0.04103  -0.00003  -0.01381  -0.00030  -0.01411   0.02692
   D60        0.00943  -0.00001  -0.00275   0.00026  -0.00250   0.00693
   D61       -3.11153  -0.00002  -0.00983   0.00014  -0.00970  -3.12123
   D62       -3.10180  -0.00001  -0.01295   0.00020  -0.01276  -3.11456
   D63       -3.13795  -0.00000  -0.00090  -0.00001  -0.00091  -3.13886
   D64        0.00244  -0.00000   0.00021  -0.00026  -0.00005   0.00239
   D65       -0.00248  -0.00000  -0.00059   0.00011  -0.00047  -0.00295
   D66        3.14154  -0.00000  -0.00025   0.00006  -0.00020   3.14134
   D67        3.10745  -0.00002  -0.00103  -0.00022  -0.00125   3.10620
   D68       -0.03172  -0.00001  -0.00069  -0.00027  -0.00097  -0.03269
   D69       -0.00046  -0.00001  -0.00053   0.00001  -0.00052  -0.00099
   D70        3.11143  -0.00000  -0.00044   0.00020  -0.00025   3.11118
   D71        3.13870  -0.00001  -0.00087   0.00007  -0.00080   3.13790
   D72       -0.03259  -0.00000  -0.00078   0.00025  -0.00053  -0.03312
   D73        2.51565   0.00003  -0.00011   0.00122   0.00111   2.51676
   D74       -0.62740   0.00003  -0.00007   0.00115   0.00108  -0.62632
   D75       -0.62345   0.00003   0.00024   0.00116   0.00140  -0.62206
   D76        2.51668   0.00003   0.00028   0.00109   0.00137   2.51805
   D77        0.00044   0.00001   0.00125  -0.00023   0.00101   0.00145
   D78        3.13558   0.00001   0.00019   0.00001   0.00020   3.13578
   D79       -3.11180   0.00001   0.00115  -0.00041   0.00074  -3.11107
   D80        0.02334   0.00000   0.00010  -0.00017  -0.00007   0.02327
   D81        0.00238   0.00001   0.00145  -0.00039   0.00106   0.00343
   D82        3.14087   0.00001   0.00176  -0.00018   0.00158  -3.14074
   D83        3.12534   0.00002   0.00785  -0.00029   0.00756   3.13290
   D84       -0.01935   0.00002   0.00817  -0.00008   0.00808  -0.01127
   D85        3.11978   0.00001   0.00958  -0.00034   0.00923   3.12901
   D86       -0.02491   0.00001   0.00990  -0.00014   0.00975  -0.01516
   D87       -0.01275  -0.00000   0.00084   0.00020   0.00104  -0.01170
   D88        3.14089  -0.00001   0.00024   0.00013   0.00037   3.14126
   D89        3.13190  -0.00001   0.00053   0.00000   0.00053   3.13242
   D90        0.00235  -0.00001  -0.00007  -0.00007  -0.00014   0.00220
   D91       -3.13762   0.00000  -0.00059  -0.00008  -0.00067  -3.13829
   D92       -0.00574  -0.00001  -0.00122  -0.00031  -0.00153  -0.00727
   D93        0.00081   0.00001  -0.00027   0.00013  -0.00014   0.00068
   D94        3.13268  -0.00000  -0.00090  -0.00009  -0.00099   3.13169
   D95        0.01013   0.00000  -0.00161   0.00011  -0.00149   0.00864
   D96        3.13962   0.00000  -0.00101   0.00018  -0.00082   3.13880
   D97       -0.00426   0.00000   0.00040  -0.00021   0.00019  -0.00408
   D98        3.10762   0.00001   0.00060  -0.00011   0.00049   3.10811
   D99       -3.13394   0.00000  -0.00019  -0.00028  -0.00048  -3.13442
   D100      -0.02206   0.00000   0.00001  -0.00018  -0.00018  -0.02223
   D101      -0.00220   0.00000   0.00030   0.00008   0.00039  -0.00181
   D102       3.11028   0.00001   0.00085  -0.00016   0.00068   3.11096
   D103      -3.13369   0.00001   0.00095   0.00032   0.00128  -3.13242
   D104      -0.02122   0.00001   0.00150   0.00007   0.00157  -0.01965
   D105       0.00035  -0.00001   0.00002  -0.00036  -0.00035   0.00000
   D106       3.14045  -0.00002  -0.00041  -0.00028  -0.00069   3.13976
   D107      -3.11210  -0.00001  -0.00053  -0.00011  -0.00064  -3.11274
   D108       0.02800  -0.00002  -0.00096  -0.00003  -0.00098   0.02702
   D109       0.00294   0.00000  -0.00037   0.00042   0.00005   0.00299
   D110      -3.10757   0.00000  -0.00059   0.00031  -0.00027  -3.10785
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   D112       0.03553   0.00001  -0.00015   0.00023   0.00007   0.03560
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   D332       0.00767  -0.00001  -0.00004  -0.00016  -0.00021   0.00746
   D333       0.00739  -0.00000  -0.00017   0.00005  -0.00012   0.00727
   D334      -3.13988  -0.00000  -0.00005  -0.00007  -0.00012  -3.14000
   D335      -3.12843  -0.00001  -0.00016  -0.00008  -0.00024  -3.12867
   D336       0.00748  -0.00001  -0.00005  -0.00019  -0.00024   0.00724
   D337      -0.00814   0.00000   0.00022  -0.00010   0.00012  -0.00802
   D338       3.12971   0.00000  -0.00000   0.00015   0.00014   3.12985
   D339       3.13913   0.00000   0.00011   0.00001   0.00012   3.13924
   D340      -0.00622   0.00001  -0.00012   0.00026   0.00014  -0.00607
   D341      -0.00532   0.00000   0.00002   0.00013   0.00015  -0.00517
   D342       3.12827   0.00000   0.00036  -0.00013   0.00023   3.12850
   D343       3.14000   0.00000   0.00024  -0.00012   0.00012   3.14013
   D344      -0.00959   0.00000   0.00058  -0.00038   0.00020  -0.00939
   D345      -0.00518   0.00000   0.00004   0.00011   0.00015  -0.00504
   D346       3.14034   0.00000   0.00025  -0.00013   0.00012   3.14046
   D347       3.12833   0.00000   0.00037  -0.00016   0.00021   3.12854
   D348      -0.00933   0.00000   0.00058  -0.00040   0.00018  -0.00915
   D349      -0.00817   0.00000   0.00020  -0.00009   0.00012  -0.00806
   D350       3.13917   0.00000   0.00012   0.00001   0.00013   3.13930
   D351       3.12947   0.00000  -0.00001   0.00015   0.00014   3.12961
   D352      -0.00637   0.00001  -0.00010   0.00025   0.00015  -0.00622
   D353       0.00731  -0.00000  -0.00017   0.00005  -0.00011   0.00720
   D354      -3.12840  -0.00001  -0.00015  -0.00009  -0.00024  -3.12864
   D355      -3.14005  -0.00000  -0.00008  -0.00004  -0.00013  -3.14018
   D356       0.00742  -0.00001  -0.00006  -0.00018  -0.00025   0.00717
   D357      -0.00768  -0.00000   0.00011  -0.00009   0.00003  -0.00765
   D358       3.13972   0.00000  -0.00000   0.00007   0.00007   3.13979
   D359       3.12811   0.00000   0.00007   0.00001   0.00008   3.12819
   D360      -0.00767   0.00001  -0.00005   0.00017   0.00012  -0.00755
   D361       0.00838  -0.00000  -0.00013   0.00011  -0.00002   0.00836
   D362      -3.12961  -0.00000   0.00004  -0.00004  -0.00000  -3.12961
   D363      -3.13901  -0.00000  -0.00002  -0.00005  -0.00006  -3.13907
   D364       0.00618  -0.00000   0.00015  -0.00020  -0.00004   0.00614
   D365       0.00555  -0.00000   0.00002  -0.00009  -0.00007   0.00549
   D366      -3.12782  -0.00000  -0.00026   0.00018  -0.00008  -3.12790
   D367      -3.13962  -0.00000  -0.00014   0.00006  -0.00008  -3.13971
   D368       0.01019   0.00000  -0.00043   0.00033  -0.00010   0.01009
   D369       0.00549  -0.00000   0.00001  -0.00007  -0.00007   0.00542
   D370      -3.14003  -0.00000  -0.00016   0.00008  -0.00008  -3.14011
   D371      -3.12737  -0.00000  -0.00030   0.00017  -0.00012  -3.12749
   D372       0.01029  -0.00000  -0.00046   0.00033  -0.00013   0.01016
   D373       0.00845  -0.00000  -0.00015   0.00010  -0.00004   0.00841
   D374      -3.13923  -0.00000   0.00001  -0.00006  -0.00005  -3.13928
   D375      -3.12920  -0.00000   0.00002  -0.00005  -0.00003  -3.12923
   D376       0.00631  -0.00000   0.00017  -0.00022  -0.00004   0.00626
   D377      -0.00770  -0.00000   0.00015  -0.00011   0.00005  -0.00765
   D378       3.12786   0.00000   0.00011   0.00000   0.00011   3.12797
   D379       3.14000   0.00000  -0.00000   0.00006   0.00006   3.14005
   D380      -0.00763   0.00001  -0.00005   0.00017   0.00012  -0.00751
         Item               Value     Threshold  Converged?
 Maximum Force            0.000171     0.000450     YES
 RMS     Force            0.000019     0.000300     YES
 Maximum Displacement     0.111012     0.001800     NO 
 RMS     Displacement     0.009519     0.001200     NO 
 Predicted change in Energy=-2.002406D-06
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C74H46ClN5
 Framework group  C1[X(C74H46ClN5)]
 Deg. of freedom   372
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        1.256347    2.444309   -0.053614
      2          6           0        1.596780    1.090618   -0.024487
      3          6           0        0.630075    0.068586    0.000449
      4          6           0       -0.733028    0.444923   -0.011509
      5          6           0       -1.082615    1.807838   -0.044655
      6          6           0       -0.111761    2.789615   -0.064179
      7          6           0        0.992850   -1.358648    0.025565
      8          6           0       -0.016532   -2.366161    0.052036
      9          6           0       -1.413343   -1.969801    0.050024
     10          6           0       -1.778754   -0.573143    0.011893
     11          6           0        2.335022   -1.768445    0.034218
     12          6           0        2.715604   -3.112892    0.060177
     13          6           0        1.699366   -4.088093    0.081897
     14          6           0        0.366891   -3.725518    0.078813
     15          7           0       -2.416110   -2.865456    0.083040
     16          6           0       -3.728391   -2.491066    0.073224
     17          6           0       -4.029811   -1.097665    0.021826
     18          7           0       -3.042968   -0.175415   -0.002463
     19          6           0       -4.774362   -3.443887    0.109331
     20          6           0       -6.073924   -2.997108    0.092956
     21          6           0       -6.411481   -1.607330    0.043058
     22          6           0       -5.383008   -0.681330    0.010160
     23          6           0        2.305852    3.491396   -0.075335
     24          6           0        4.145545   -3.498538    0.068099
     25          6           0       -7.830595   -1.183058    0.025115
     26          6           0        4.586748   -4.617453    0.795693
     27          6           0        5.929519   -4.978602    0.819365
     28          6           0        6.872521   -4.239688    0.092039
     29          6           0        6.445277   -3.129536   -0.649217
     30          6           0        5.103872   -2.762525   -0.650012
     31          6           0        2.139707    4.666263   -0.828322
     32          6           0        3.125587    5.646993   -0.863621
     33          6           0        4.305234    5.488858   -0.124032
     34          6           0        4.479856    4.328214    0.641536
     35          6           0        3.497191    3.343730    0.655323
     36          6           0       -8.809718   -1.891488    0.742670
     37          6           0      -10.139605   -1.484101    0.742955
     38          6           0      -10.534927   -0.362605    0.001515
     39          6           0       -9.571212    0.346011   -0.729597
     40          6           0       -8.240474   -0.055839   -0.707823
     41          7           0        5.307253    6.489494   -0.148641
     42          7           0        8.238803   -4.610938    0.103354
     43          7           0      -11.889318    0.047884   -0.011827
     44          6           0        8.745479   -5.887838   -0.180386
     45          6           0       10.157900   -5.857548   -0.064790
     46          6           0       10.521741   -4.506225    0.307870
     47          6           0        9.316778   -3.765086    0.400888
     48          6           0        6.663062    6.286273   -0.442922
     49          6           0        7.341046    7.528964   -0.367150
     50          6           0        6.354139    8.526409   -0.008771
     51          6           0        5.113036    7.852789    0.115942
     52          6           0      -12.357852    1.341054    0.263121
     53          6           0      -13.770694    1.351576    0.148424
     54          6           0      -14.174619    0.008953   -0.214461
     55          6           0      -12.992641   -0.768347   -0.302780
     56          6           0       11.742008   -3.877066    0.578768
     57          6           0       11.746507   -2.533875    0.942903
     58          6           0       10.542056   -1.818401    1.046895
     59          6           0        9.313774   -2.420535    0.781945
     60          6           0        8.068279   -7.047542   -0.566919
     61          6           0        8.827406   -8.189345   -0.814215
     62          6           0       10.226598   -8.181049   -0.687975
     63          6           0       10.896658   -7.018767   -0.318586
     64          6           0        6.418308    9.904616    0.225680
     65          6           0        5.259335   10.585869    0.585122
     66          6           0        4.040708    9.900040    0.720309
     67          6           0        3.949121    8.528623    0.492077
     68          6           0        7.327839    5.112051   -0.806500
     69          6           0        8.693035    5.195335   -1.072209
     70          6           0        9.383413    6.415807   -0.985682
     71          6           0        8.712843    7.584696   -0.638404
     72          6           0      -15.413489   -0.585311   -0.479962
     73          6           0      -15.458065   -1.930299   -0.834200
     74          6           0      -14.275511   -2.682028   -0.933851
     75          6           0      -13.029552   -2.114993   -0.674264
     76          6           0      -11.646976    2.483037    0.641784
     77          6           0      -12.371972    3.648493    0.881730
     78          6           0      -13.770703    3.680489    0.755813
     79          6           0      -14.474679    2.535694    0.394505
     80          1           0       -2.267324   -3.972795    0.133102
     81          1           0        2.648338    0.836015   -0.051028
     82          1           0       -2.134390    2.067079   -0.043514
     83          1           0       -0.403123    3.834877   -0.060217
     84          1           0        3.119333   -1.023213    0.051505
     85          1           0        1.955959   -5.142000    0.073801
     86          1           0       -0.382071   -4.513646    0.090590
     87          1           0       -4.520160   -4.499330    0.138819
     88          1           0       -6.875169   -3.728639    0.091487
     89          1           0       -5.574534    0.385671    0.002968
     90          1           0        3.876406   -5.188612    1.384889
     91          1           0        6.257692   -5.821760    1.417414
     92          1           0        7.164641   -2.574666   -1.241687
     93          1           0        4.788721   -1.918927   -1.256319
     94          1           0        1.244921    4.795992   -1.429138
     95          1           0        2.997059    6.529601   -1.480834
     96          1           0        5.376059    4.214959    1.241947
     97          1           0        3.637929    2.466435    1.279168
     98          1           0       -8.523015   -2.747291    1.345666
     99          1           0      -10.874310   -2.019669    1.334169
    100          1           0       -9.876046    1.194633   -1.332227
    101          1           0       -7.514970    0.488062   -1.304581
    102          1           0       12.672705   -4.432920    0.510719
    103          1           0       12.686855   -2.034413    1.154308
    104          1           0       10.564812   -0.774006    1.343793
    105          1           0        8.388750   -1.863156    0.877342
    106          1           0        6.990087   -7.061818   -0.679211
    107          1           0        8.323088   -9.103089   -1.114085
    108          1           0       10.788002   -9.088814   -0.885849
    109          1           0       11.979441   -7.009918   -0.232992
    110          1           0        7.362487   10.433520    0.133044
    111          1           0        5.295858   11.655224    0.768197
    112          1           0        3.149166   10.447064    1.012288
    113          1           0        3.006401    8.006474    0.610826
    114          1           0        6.801590    4.167619   -0.887711
    115          1           0        9.231461    4.295820   -1.355633
    116          1           0       10.447717    6.445826   -1.197124
    117          1           0        9.244993    8.529992   -0.583432
    118          1           0      -16.327153   -0.001534   -0.415194
    119          1           0      -16.412958   -2.403326   -1.040986
    120          1           0      -14.329357   -3.727489   -1.222499
    121          1           0      -12.122216   -2.701125   -0.766471
    122          1           0      -10.568839    2.465840    0.754459
    123          1           0      -11.841027    4.548996    1.175864
    124          1           0      -14.305315    4.605507    0.947913
    125          1           0      -15.557301    2.557977    0.309623
    126         17           0       -2.348149   -5.786829    0.227817
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           0.0230082           0.0074960           0.0056909
 Standard basis: 6-31G(d,p) (6D, 7F)
 There are  1434 symmetry adapted cartesian basis functions of A   symmetry.
 There are  1434 symmetry adapted basis functions of A   symmetry.
  1434 basis functions,  2586 primitive gaussians,  1434 cartesian basis functions
   271 alpha electrons      271 beta electrons
       nuclear repulsion energy     10549.7253248666 Hartrees.
 NAtoms=  126 NActive=  126 NUniq=  126 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=T Big=T
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 One-electron integrals computed using PRISM.
 NBasis=  1434 RedAO= T EigKep=  1.50D-04  NBF=  1434
 NBsUse=  1434 1.00D-06 EigRej= -1.00D+00 NBFU=  1434
 Initial guess from the checkpoint file:  "ph.chk"
 B after Tr=    -0.000000    0.000000   -0.000000
         Rot=    1.000000   -0.000025   -0.000000   -0.000016 Ang=  -0.00 deg.
 ExpMin= 1.43D-01 ExpMax= 2.52D+04 ExpMxC= 3.78D+03 IAcc=2 IRadAn=         4 AccDes= 0.00D+00
 Harris functional with IExCor=  402 and IRadAn=       4 diagonalized for initial guess.
 HarFok:  IExCor=  402 AccDes= 0.00D+00 IRadAn=         4 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=        2001
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Petite list used in FoFCou.
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Integral accuracy reduced to 1.0D-05 until final iterations.
 Initial convergence to 1.0D-05 achieved.  Increase integral accuracy.
 SCF Done:  E(RB3LYP) =  -3581.78142173     A.U. after    9 cycles
            NFock=  9  Conv=0.72D-08     -V/T= 2.0089
 Calling FoFJK, ICntrl=      2127 FMM=T ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000066925    0.000038238   -0.000009918
      2        6           0.000015609   -0.000022612   -0.000014609
      3        6          -0.000026807   -0.000008122    0.000009530
      4        6           0.000017438   -0.000014074   -0.000013370
      5        6          -0.000024919    0.000025262    0.000003172
      6        6           0.000030324   -0.000009702    0.000022402
      7        6          -0.000071889    0.000015868   -0.000015436
      8        6           0.000079042   -0.000009846    0.000014167
      9        6           0.000007558   -0.000083567    0.000031278
     10        6          -0.000009791    0.000084325   -0.000001745
     11        6           0.000042382    0.000038296    0.000022087
     12        6          -0.000089728   -0.000070568    0.000001799
     13        6           0.000037286    0.000000483   -0.000019163
     14        6          -0.000013894    0.000008041   -0.000020057
     15        7           0.000044206    0.000025232   -0.000000735
     16        6          -0.000093318    0.000051454   -0.000002909
     17        6           0.000070732   -0.000048123    0.000010053
     18        7          -0.000048780    0.000011879   -0.000028713
     19        6           0.000035418    0.000006977    0.000001088
     20        6           0.000006380   -0.000015917    0.000022907
     21        6          -0.000029449   -0.000021489   -0.000001166
     22        6          -0.000004653   -0.000007115   -0.000014869
     23        6           0.000078064   -0.000034001    0.000016332
     24        6           0.000102945    0.000061468   -0.000000620
     25        6           0.000022917    0.000024546    0.000007916
     26        6          -0.000031450   -0.000038992    0.000024143
     27        6           0.000030599   -0.000004668    0.000005010
     28        6          -0.000018774   -0.000007495    0.000006333
     29        6           0.000012970    0.000026784   -0.000005162
     30        6          -0.000051668   -0.000007081   -0.000019229
     31        6          -0.000015003    0.000022372   -0.000023710
     32        6           0.000000910   -0.000001832    0.000007440
     33        6           0.000036393   -0.000015357    0.000005363
     34        6           0.000010828   -0.000010726   -0.000009089
     35        6          -0.000046137    0.000000188    0.000007466
     36        6           0.000015508    0.000012595   -0.000012169
     37        6          -0.000003154   -0.000031957    0.000003519
     38        6           0.000000203    0.000021399    0.000017262
     39        6           0.000000103    0.000007684   -0.000013264
     40        6           0.000001651   -0.000009874    0.000011459
     41        7          -0.000057487    0.000032471   -0.000002716
     42        7           0.000013235    0.000002213   -0.000014078
     43        7          -0.000016927   -0.000012094   -0.000022784
     44        6           0.000017123   -0.000001976   -0.000005796
     45        6          -0.000006009   -0.000016220   -0.000037073
     46        6          -0.000016037    0.000002615    0.000038528
     47        6           0.000002864    0.000015575    0.000015999
     48        6           0.000038893   -0.000000275    0.000014050
     49        6          -0.000011524    0.000013514   -0.000030871
     50        6          -0.000022813    0.000004879    0.000025715
     51        6           0.000023417   -0.000032119   -0.000009813
     52        6          -0.000013903    0.000008739    0.000032354
     53        6          -0.000002367    0.000026290    0.000054750
     54        6           0.000022267   -0.000011809   -0.000053852
     55        6           0.000007574   -0.000020640   -0.000017489
     56        6          -0.000005840    0.000012636   -0.000033219
     57        6          -0.000007499   -0.000019707    0.000016727
     58        6           0.000013405   -0.000000575   -0.000008591
     59        6          -0.000005801    0.000010799   -0.000001256
     60        6           0.000006202   -0.000010250   -0.000001153
     61        6           0.000004360    0.000011340    0.000008276
     62        6          -0.000019632    0.000001646   -0.000015265
     63        6           0.000008275   -0.000009832    0.000032102
     64        6           0.000015392    0.000016421   -0.000026442
     65        6          -0.000026532   -0.000003230    0.000014057
     66        6           0.000010289   -0.000014454   -0.000006051
     67        6           0.000007011    0.000014467    0.000006017
     68        6          -0.000007202   -0.000015554   -0.000004442
     69        6           0.000015735   -0.000000393    0.000009983
     70        6          -0.000008448    0.000021795   -0.000018191
     71        6          -0.000010801   -0.000019389    0.000026183
     72        6           0.000003214   -0.000009177    0.000040128
     73        6           0.000004698    0.000020106   -0.000014867
     74        6          -0.000011923   -0.000000447    0.000006918
     75        6           0.000007882   -0.000007752    0.000006471
     76        6          -0.000005136    0.000012366   -0.000010595
     77        6          -0.000006262   -0.000011816   -0.000007621
     78        6           0.000020719   -0.000003967    0.000015856
     79        6          -0.000007513    0.000008214   -0.000039603
     80        1           0.000030302   -0.000079128   -0.000002600
     81        1          -0.000001789   -0.000005497    0.000021320
     82        1           0.000002174   -0.000006549   -0.000000743
     83        1          -0.000000676    0.000000333   -0.000001635
     84        1           0.000000680    0.000006863   -0.000021917
     85        1           0.000001415    0.000000122   -0.000000354
     86        1          -0.000010724    0.000011445    0.000011135
     87        1           0.000000500    0.000007957    0.000005801
     88        1           0.000008848    0.000006819   -0.000010268
     89        1           0.000007257    0.000007000   -0.000001957
     90        1          -0.000001321   -0.000000095   -0.000007163
     91        1          -0.000003548   -0.000000406    0.000000286
     92        1          -0.000002565   -0.000001714   -0.000000368
     93        1          -0.000000293    0.000000416    0.000003974
     94        1          -0.000001451    0.000000367    0.000005741
     95        1          -0.000002712    0.000004299   -0.000003235
     96        1          -0.000005500    0.000001194    0.000002194
     97        1           0.000001953    0.000000855   -0.000003907
     98        1          -0.000006125   -0.000003089   -0.000002409
     99        1           0.000003556    0.000004136   -0.000000905
    100        1           0.000000713    0.000001831    0.000002220
    101        1          -0.000007812   -0.000002233   -0.000000200
    102        1           0.000002744   -0.000002049    0.000007992
    103        1           0.000002588    0.000001348   -0.000007046
    104        1          -0.000001125    0.000003032    0.000005255
    105        1           0.000003719   -0.000001989   -0.000001052
    106        1          -0.000000346    0.000004033    0.000001777
    107        1           0.000002528   -0.000002524   -0.000005015
    108        1           0.000002542    0.000001256    0.000006926
    109        1          -0.000000458    0.000003487   -0.000007809
    110        1          -0.000001872   -0.000003530    0.000007330
    111        1           0.000003421   -0.000001462   -0.000007500
    112        1           0.000001143    0.000002873    0.000005305
    113        1           0.000001752   -0.000006715    0.000000589
    114        1           0.000005577    0.000003299    0.000000521
    115        1          -0.000001106   -0.000003398   -0.000005689
    116        1           0.000001459   -0.000001570    0.000007859
    117        1           0.000003337    0.000002559   -0.000006642
    118        1          -0.000002332    0.000001964   -0.000009105
    119        1          -0.000001988   -0.000001321    0.000006080
    120        1           0.000000657   -0.000002014   -0.000004115
    121        1          -0.000004275   -0.000000045    0.000001322
    122        1          -0.000001059   -0.000004010   -0.000000442
    123        1          -0.000001630    0.000002075    0.000004572
    124        1          -0.000001869   -0.000001075   -0.000006578
    125        1           0.000000663   -0.000002663    0.000007897
    126       17          -0.000052981    0.000029129   -0.000004580
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000102945 RMS     0.000021909

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.000117024 RMS     0.000010991
 Search for a local minimum.
 Step number  21 out of a maximum of  756
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points   13   14   15   16   17
                                                     18   19   20   21
 DE= -2.66D-06 DEPred=-2.00D-06 R= 1.33D+00
 TightC=F SS=  1.41D+00  RLast= 3.41D-02 DXNew= 5.0454D+00 1.0224D-01
 Trust test= 1.33D+00 RLast= 3.41D-02 DXMaxT set to 3.00D+00
 ITU=  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  0  1
 ITU=  0
     Eigenvalues ---    0.00187   0.00681   0.00762   0.01487   0.02214
     Eigenvalues ---    0.02576   0.02623   0.02666   0.02681   0.02691
     Eigenvalues ---    0.02692   0.02703   0.02705   0.02707   0.02708
     Eigenvalues ---    0.02712   0.02715   0.02718   0.02719   0.02729
     Eigenvalues ---    0.02743   0.02753   0.02758   0.02763   0.02768
     Eigenvalues ---    0.02769   0.02774   0.02777   0.02786   0.02786
     Eigenvalues ---    0.02787   0.02790   0.02791   0.02792   0.02792
     Eigenvalues ---    0.02793   0.02793   0.02793   0.02793   0.02799
     Eigenvalues ---    0.02801   0.02802   0.02802   0.02802   0.02803
     Eigenvalues ---    0.02806   0.02807   0.02808   0.02809   0.02809
     Eigenvalues ---    0.02809   0.02810   0.02814   0.02817   0.02818
     Eigenvalues ---    0.02818   0.02819   0.02819   0.02819   0.02824
     Eigenvalues ---    0.02834   0.02837   0.02838   0.02845   0.02845
     Eigenvalues ---    0.02845   0.02845   0.02845   0.02846   0.02851
     Eigenvalues ---    0.02857   0.02862   0.02865   0.02868   0.02868
     Eigenvalues ---    0.02868   0.02872   0.02872   0.02873   0.02876
     Eigenvalues ---    0.02876   0.02877   0.02877   0.02877   0.02877
     Eigenvalues ---    0.02882   0.02884   0.02884   0.02884   0.02885
     Eigenvalues ---    0.02885   0.02885   0.02885   0.02885   0.02885
     Eigenvalues ---    0.02889   0.02895   0.02896   0.02896   0.02898
     Eigenvalues ---    0.02898   0.02900   0.02901   0.02901   0.02903
     Eigenvalues ---    0.02910   0.02910   0.02924   0.02940   0.02944
     Eigenvalues ---    0.02951   0.02996   0.03025   0.03026   0.03026
     Eigenvalues ---    0.03091   0.03128   0.03136   0.03136   0.03137
     Eigenvalues ---    0.03153   0.03291   0.03352   0.05444   0.10672
     Eigenvalues ---    0.15518   0.15725   0.15885   0.15981   0.15984
     Eigenvalues ---    0.15985   0.15986   0.15987   0.15992   0.15993
     Eigenvalues ---    0.15994   0.15994   0.15995   0.15996   0.15997
     Eigenvalues ---    0.15997   0.15998   0.15998   0.15999   0.15999
     Eigenvalues ---    0.15999   0.15999   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16001   0.16005
     Eigenvalues ---    0.16009   0.16039   0.16056   0.16090   0.16154
     Eigenvalues ---    0.17644   0.21736   0.22000   0.22000   0.22000
     Eigenvalues ---    0.22000   0.22000   0.22002   0.22002   0.22004
     Eigenvalues ---    0.22073   0.22372   0.22443   0.22584   0.22601
     Eigenvalues ---    0.22602   0.22602   0.22602   0.22614   0.22699
     Eigenvalues ---    0.22957   0.22966   0.23100   0.23369   0.23493
     Eigenvalues ---    0.23516   0.23910   0.23972   0.24006   0.24257
     Eigenvalues ---    0.24470   0.24484   0.24485   0.24487   0.24531
     Eigenvalues ---    0.24535   0.24642   0.24716   0.24968   0.24981
     Eigenvalues ---    0.24982   0.24982   0.24982   0.24982   0.24988
     Eigenvalues ---    0.24996   0.24999   0.25000   0.25000   0.25000
     Eigenvalues ---    0.25000   0.25001   0.25004   0.25005   0.25013
     Eigenvalues ---    0.25023   0.25070   0.25157   0.25383   0.25741
     Eigenvalues ---    0.26163   0.33248   0.33252   0.33254   0.33255
     Eigenvalues ---    0.33256   0.33257   0.33277   0.33297   0.33390
     Eigenvalues ---    0.33393   0.33396   0.33399   0.33401   0.33429
     Eigenvalues ---    0.33562   0.33567   0.33570   0.33572   0.33577
     Eigenvalues ---    0.33604   0.33613   0.33623   0.33643   0.33647
     Eigenvalues ---    0.33649   0.33655   0.33693   0.33711   0.33718
     Eigenvalues ---    0.33731   0.33759   0.33813   0.33829   0.33832
     Eigenvalues ---    0.33835   0.33840   0.33897   0.33929   0.33931
     Eigenvalues ---    0.33932   0.33936   0.33941   0.34896   0.34980
     Eigenvalues ---    0.35064   0.35503   0.44442   0.44443   0.44445
     Eigenvalues ---    0.45019   0.48048   0.48458   0.48837   0.48958
     Eigenvalues ---    0.48968   0.49304   0.49373   0.49598   0.49809
     Eigenvalues ---    0.49811   0.49829   0.49900   0.49933   0.50038
     Eigenvalues ---    0.50139   0.50403   0.50409   0.50611   0.50613
     Eigenvalues ---    0.50616   0.50961   0.51768   0.51988   0.52314
     Eigenvalues ---    0.52712   0.53134   0.53592   0.54101   0.54109
     Eigenvalues ---    0.54201   0.54204   0.54205   0.54485   0.54590
     Eigenvalues ---    0.54917   0.55033   0.55196   0.55276   0.55318
     Eigenvalues ---    0.55337   0.55350   0.55371   0.55390   0.55418
     Eigenvalues ---    0.55548   0.55639   0.55707   0.55712   0.55715
     Eigenvalues ---    0.55948   0.55951   0.56056   0.56145   0.56147
     Eigenvalues ---    0.56147   0.56198   0.56278   0.56289   0.56301
     Eigenvalues ---    0.56473   0.56662   0.56664   0.56669   0.56670
     Eigenvalues ---    0.56676   0.56695   0.56761   0.56817   0.56885
     Eigenvalues ---    0.56906   0.56910   0.57097   0.57169   0.57171
     Eigenvalues ---    0.57172   0.57182   0.57183   0.59519   0.62762
     Eigenvalues ---    0.63287   0.66046   0.66099   0.66894   0.67692
     Eigenvalues ---    0.67699   0.67705   0.68687   0.70102   0.70114
     Eigenvalues ---    0.73877   0.76296
 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF=       -3 using points:    21   20   19   18   17   16   15   14   13   12
 RFO step:  Lambda=-1.03574555D-06.
 DIIS inversion failure, remove point  10.
 DIIS inversion failure, remove point   9.
 RFO-DIIS uses    8 points instead of   10
 DidBck=F Rises=F RFO-DIIS coefs:    1.80711   -0.78961   -0.39245    0.13031    0.58058
                  RFO-DIIS coefs:   -0.39968    0.05407    0.00969    0.00000    0.00000
 Iteration  1 RMS(Cart)=  0.00512706 RMS(Int)=  0.00000422
 Iteration  2 RMS(Cart)=  0.00000800 RMS(Int)=  0.00000257
 Iteration  3 RMS(Cart)=  0.00000001 RMS(Int)=  0.00000257
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        2.63833   0.00002   0.00008  -0.00002   0.00006   2.63839
    R2        2.66650   0.00002   0.00005   0.00001   0.00006   2.66656
    R3        2.80185  -0.00004  -0.00011  -0.00009  -0.00020   2.80165
    R4        2.65887  -0.00001  -0.00004  -0.00000  -0.00005   2.65883
    R5        2.04519   0.00000  -0.00003   0.00006   0.00002   2.04521
    R6        2.67236   0.00002   0.00007  -0.00002   0.00005   2.67241
    R7        2.78325  -0.00002  -0.00009  -0.00005  -0.00014   2.78311
    R8        2.65965   0.00001  -0.00001   0.00003   0.00002   2.65967
    R9        2.75832   0.00002  -0.00001  -0.00000  -0.00001   2.75831
   R10        2.60948  -0.00001  -0.00002  -0.00000  -0.00003   2.60945
   R11        2.04705  -0.00000   0.00000  -0.00001  -0.00000   2.04705
   R12        2.05058   0.00000  -0.00004   0.00004   0.00000   2.05058
   R13        2.69552   0.00004   0.00023  -0.00003   0.00019   2.69571
   R14        2.65198  -0.00003  -0.00011  -0.00001  -0.00013   2.65185
   R15        2.74381  -0.00004  -0.00012  -0.00000  -0.00012   2.74368
   R16        2.66952  -0.00002  -0.00008   0.00002  -0.00006   2.66946
   R17        2.72909   0.00006   0.00040  -0.00007   0.00033   2.72942
   R18        2.54154  -0.00002   0.00011  -0.00004   0.00006   2.54161
   R19        2.50460  -0.00001   0.00002  -0.00005  -0.00002   2.50458
   R20        2.64092   0.00003   0.00017  -0.00003   0.00014   2.64106
   R21        2.04476   0.00001  -0.00004   0.00007   0.00003   2.04479
   R22        2.66192   0.00002   0.00006  -0.00001   0.00005   2.66197
   R23        2.79878  -0.00006  -0.00017  -0.00010  -0.00027   2.79851
   R24        2.60957  -0.00001  -0.00002   0.00001  -0.00002   2.60956
   R25        2.04983  -0.00000  -0.00005   0.00005  -0.00000   2.04983
   R26        2.05471  -0.00001  -0.00007   0.00002  -0.00006   2.05465
   R27        2.57887  -0.00001  -0.00010   0.00002  -0.00009   2.57878
   R28        2.11349   0.00003  -0.00035   0.00097   0.00062   2.11411
   R29        5.52886   0.00001  -0.00134   0.00045  -0.00089   5.52797
   R30        2.69580  -0.00001   0.00000  -0.00007  -0.00006   2.69574
   R31        2.67463   0.00004   0.00010   0.00002   0.00012   2.67475
   R32        2.55288   0.00007   0.00004   0.00003   0.00008   2.55295
   R33        2.67556  -0.00000   0.00002  -0.00002  -0.00000   2.67556
   R34        2.59708  -0.00000  -0.00003   0.00003   0.00000   2.59708
   R35        2.05229  -0.00001  -0.00004   0.00002  -0.00003   2.05226
   R36        2.70430  -0.00001  -0.00010   0.00002  -0.00008   2.70423
   R37        2.05027   0.00000  -0.00002   0.00004   0.00002   2.05029
   R38        2.61597  -0.00000   0.00000  -0.00001  -0.00000   2.61596
   R39        2.79923   0.00002   0.00017  -0.00007   0.00009   2.79932
   R40        2.04861   0.00001  -0.00004   0.00007   0.00003   2.04864
   R41        2.65566   0.00002   0.00008  -0.00002   0.00007   2.65572
   R42        2.65569   0.00003   0.00011  -0.00001   0.00011   2.65580
   R43        2.65641   0.00003   0.00010  -0.00000   0.00010   2.65650
   R44        2.65625   0.00003   0.00011  -0.00000   0.00011   2.65636
   R45        2.65602   0.00001  -0.00002   0.00002  -0.00001   2.65601
   R46        2.65627  -0.00001  -0.00003  -0.00001  -0.00005   2.65623
   R47        2.62803  -0.00002  -0.00005  -0.00000  -0.00006   2.62797
   R48        2.05099   0.00000  -0.00003   0.00003   0.00000   2.05100
   R49        2.64848   0.00001   0.00001   0.00001   0.00002   2.64850
   R50        2.04952   0.00000   0.00004  -0.00004  -0.00001   2.04952
   R51        2.64861   0.00001   0.00000   0.00001   0.00002   2.64863
   R52        2.67560  -0.00002  -0.00005  -0.00001  -0.00006   2.67554
   R53        2.62805  -0.00002  -0.00005  -0.00001  -0.00005   2.62800
   R54        2.04962   0.00000   0.00003  -0.00003  -0.00000   2.04962
   R55        2.05154   0.00000  -0.00004   0.00005   0.00001   2.05154
   R56        2.62872  -0.00001  -0.00004   0.00002  -0.00002   2.62869
   R57        2.05142   0.00000  -0.00002   0.00003   0.00001   2.05143
   R58        2.64802  -0.00001  -0.00003   0.00000  -0.00003   2.64799
   R59        2.04969   0.00000   0.00004  -0.00003   0.00001   2.04970
   R60        2.64810  -0.00000  -0.00001   0.00000  -0.00000   2.64809
   R61        2.67643   0.00002   0.00003   0.00002   0.00005   2.67648
   R62        2.62871  -0.00001  -0.00005   0.00001  -0.00004   2.62867
   R63        2.04972   0.00000   0.00004  -0.00004   0.00000   2.04972
   R64        2.05158   0.00000  -0.00003   0.00003   0.00001   2.05159
   R65        2.62839  -0.00001   0.00000  -0.00003  -0.00002   2.62837
   R66        2.05120   0.00000   0.00000   0.00002   0.00002   2.05123
   R67        2.64816   0.00002   0.00002   0.00004   0.00006   2.64822
   R68        2.04942   0.00000   0.00002  -0.00002  -0.00000   2.04942
   R69        2.64927  -0.00000  -0.00003   0.00003   0.00000   2.64927
   R70        2.67452  -0.00001  -0.00009   0.00002  -0.00007   2.67444
   R71        2.62721   0.00000   0.00006  -0.00003   0.00003   2.62724
   R72        2.04950   0.00000   0.00002  -0.00002  -0.00000   2.04950
   R73        2.05129   0.00001  -0.00002   0.00005   0.00003   2.05132
   R74        2.64974  -0.00003  -0.00017  -0.00001  -0.00018   2.64956
   R75        2.64986  -0.00003  -0.00016  -0.00002  -0.00018   2.64968
   R76        2.65081   0.00000  -0.00011   0.00001  -0.00010   2.65071
   R77        2.64968  -0.00000  -0.00011   0.00001  -0.00010   2.64958
   R78        2.65061   0.00000  -0.00008   0.00002  -0.00007   2.65054
   R79        2.65115   0.00001  -0.00006   0.00001  -0.00004   2.65111
   R80        2.67862   0.00001   0.00014  -0.00006   0.00008   2.67871
   R81        2.64083   0.00000   0.00003  -0.00000   0.00003   2.64086
   R82        2.73673   0.00001   0.00003  -0.00003  -0.00000   2.73673
   R83        2.64468   0.00000   0.00002   0.00000   0.00002   2.64470
   R84        2.67907   0.00001   0.00013  -0.00006   0.00007   2.67914
   R85        2.64445   0.00001   0.00002   0.00001   0.00003   2.64448
   R86        2.64091   0.00000   0.00003  -0.00000   0.00003   2.64094
   R87        2.67894   0.00002   0.00015  -0.00005   0.00010   2.67904
   R88        2.64083   0.00000   0.00003  -0.00001   0.00003   2.64086
   R89        2.73672   0.00000   0.00003  -0.00003  -0.00000   2.73672
   R90        2.64461   0.00001   0.00002   0.00001   0.00003   2.64464
   R91        2.67892   0.00002   0.00016  -0.00006   0.00010   2.67902
   R92        2.64463   0.00001   0.00002   0.00001   0.00003   2.64466
   R93        2.64084   0.00000   0.00004  -0.00001   0.00002   2.64086
   R94        2.67874   0.00001   0.00011  -0.00005   0.00006   2.67881
   R95        2.64079   0.00001   0.00002   0.00002   0.00004   2.64083
   R96        2.73683   0.00001   0.00004  -0.00004   0.00000   2.73683
   R97        2.64446   0.00000   0.00003  -0.00000   0.00002   2.64448
   R98        2.67853   0.00001   0.00012  -0.00005   0.00007   2.67860
   R99        2.64456   0.00000   0.00003  -0.00001   0.00002   2.64458
   R100       2.64076   0.00000   0.00002   0.00001   0.00004   2.64080
   R101       2.62990  -0.00001  -0.00007   0.00002  -0.00005   2.62985
   R102       2.05259   0.00000   0.00002  -0.00002   0.00000   2.05260
   R103       2.65466   0.00001   0.00006  -0.00001   0.00005   2.65471
   R104       2.05138  -0.00000  -0.00001   0.00000  -0.00000   2.05138
   R105       2.63306  -0.00000  -0.00004   0.00001  -0.00003   2.63303
   R106       2.05227   0.00000   0.00001  -0.00001  -0.00000   2.05227
   R107       2.04880   0.00000   0.00002  -0.00002   0.00000   2.04880
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    A5        2.05387   0.00001   0.00006  -0.00001   0.00005   2.05392
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   A21        2.06056   0.00000  -0.00000   0.00004   0.00004   2.06059
   A22        2.08050   0.00001   0.00012  -0.00001   0.00012   2.08062
   A23        2.08056  -0.00001  -0.00018  -0.00002  -0.00019   2.08036
   A24        2.12213  -0.00000   0.00005   0.00002   0.00008   2.12220
   A25        2.10302  -0.00001  -0.00014  -0.00001  -0.00014   2.10288
   A26        2.13583  -0.00003   0.00020  -0.00007   0.00013   2.13596
   A27        2.04433   0.00003  -0.00006   0.00009   0.00001   2.04434
   A28        2.08711  -0.00001  -0.00002   0.00002   0.00001   2.08712
   A29        2.06450   0.00004  -0.00004   0.00009   0.00004   2.06454
   A30        2.13158  -0.00003   0.00006  -0.00011  -0.00005   2.13153
   A31        2.14300   0.00001   0.00014  -0.00001   0.00014   2.14314
   A32        2.08543  -0.00001  -0.00019   0.00003  -0.00016   2.08527
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   A37        2.11101   0.00000  -0.00002   0.00005   0.00004   2.11105
   A38        2.09655   0.00000  -0.00001   0.00007   0.00006   2.09661
   A39        2.07526  -0.00000   0.00004  -0.00013  -0.00009   2.07517
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   A41        2.10685  -0.00001  -0.00021   0.00011  -0.00010   2.10675
   A42        2.06498  -0.00000  -0.00000  -0.00007  -0.00007   2.06492
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   A45        2.27687  -0.00010  -0.00062  -0.00004  -0.00062   2.27625
   A46        1.98218  -0.00000   0.00042  -0.00031   0.00012   1.98230
   A47        1.87195   0.00012   0.00066   0.00006   0.00076   1.87271
   A48        2.06168   0.00001   0.00021  -0.00001   0.00019   2.06187
   A49        2.12442   0.00001  -0.00026   0.00010  -0.00015   2.12427
   A50        2.09709  -0.00002   0.00005  -0.00009  -0.00003   2.09705
   A51        2.10961   0.00000   0.00001  -0.00004  -0.00004   2.10957
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   A53        2.09126  -0.00001   0.00010  -0.00004   0.00006   2.09132
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   A69        2.05629  -0.00001  -0.00015   0.00004  -0.00012   2.05618
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   A193       2.10400   0.00000  -0.00001   0.00001   0.00000   2.10400
   A194       2.09185   0.00000   0.00009  -0.00004   0.00005   2.09191
   A195       2.08732  -0.00001  -0.00009   0.00003  -0.00006   2.08726
   A196       2.11972   0.00000   0.00005  -0.00003   0.00002   2.11973
   A197       2.08529  -0.00000  -0.00002  -0.00000  -0.00003   2.08526
   A198       2.07817  -0.00000  -0.00002   0.00003   0.00001   2.07819
   A199       2.05484  -0.00001  -0.00003   0.00002  -0.00001   2.05483
   A200       2.11855  -0.00000  -0.00004   0.00000  -0.00004   2.11851
   A201       2.10977   0.00001   0.00007  -0.00003   0.00005   2.10982
   A202       2.05499  -0.00000  -0.00004   0.00003  -0.00000   2.05499
   A203       2.11826  -0.00000  -0.00004   0.00000  -0.00004   2.11822
   A204       2.10991   0.00001   0.00008  -0.00004   0.00004   2.10995
   A205       2.11962   0.00000   0.00004  -0.00003   0.00001   2.11964
   A206       2.07836  -0.00000  -0.00002   0.00004   0.00001   2.07838
   A207       2.08519  -0.00000  -0.00002  -0.00001  -0.00003   2.08516
   A208       2.10398   0.00000  -0.00000   0.00001   0.00000   2.10398
   A209       2.08730  -0.00001  -0.00009   0.00003  -0.00006   2.08724
   A210       2.09189   0.00000   0.00009  -0.00003   0.00006   2.09195
   A211       2.07974   0.00000   0.00004  -0.00002   0.00003   2.07977
   A212       2.10028  -0.00001  -0.00014   0.00006  -0.00008   2.10020
   A213       2.10315   0.00001   0.00010  -0.00005   0.00005   2.10320
   A214       2.07954   0.00000   0.00004  -0.00002   0.00002   2.07956
   A215       2.10031  -0.00001  -0.00015   0.00007  -0.00008   2.10023
   A216       2.10331   0.00001   0.00011  -0.00004   0.00006   2.10338
   A217       2.10400   0.00000  -0.00003   0.00001  -0.00001   2.10399
   A218       2.09191   0.00000   0.00012  -0.00006   0.00006   2.09198
   A219       2.08726  -0.00000  -0.00010   0.00005  -0.00005   2.08721
   A220       2.11973   0.00000   0.00005  -0.00003   0.00002   2.11975
   A221       2.08552  -0.00000  -0.00003   0.00001  -0.00002   2.08550
   A222       2.07793  -0.00000  -0.00002   0.00002   0.00000   2.07793
   A223       2.05480  -0.00000  -0.00002   0.00004   0.00002   2.05481
   A224       2.11941  -0.00000  -0.00003   0.00003   0.00000   2.11942
   A225       2.10894   0.00000   0.00005  -0.00007  -0.00002   2.10893
   A226       2.05500  -0.00000  -0.00002   0.00004   0.00002   2.05502
   A227       2.11891  -0.00000  -0.00004   0.00003  -0.00001   2.11890
   A228       2.10924   0.00000   0.00007  -0.00007  -0.00001   2.10924
   A229       2.11964   0.00000   0.00004  -0.00003   0.00001   2.11966
   A230       2.07811  -0.00000  -0.00001   0.00002   0.00001   2.07812
   A231       2.08542  -0.00000  -0.00003   0.00001  -0.00002   2.08540
   A232       2.10392   0.00000  -0.00002   0.00001  -0.00001   2.10391
   A233       2.08740  -0.00000  -0.00010   0.00005  -0.00005   2.08735
   A234       2.09185   0.00000   0.00012  -0.00006   0.00006   2.09191
   A235       2.07973   0.00000   0.00004  -0.00002   0.00002   2.07975
   A236       2.10022  -0.00001  -0.00015   0.00007  -0.00008   2.10015
   A237       2.10321   0.00001   0.00011  -0.00005   0.00006   2.10327
    D1       -0.00500  -0.00000  -0.00020   0.00006  -0.00014  -0.00515
    D2        3.10566  -0.00001  -0.00063  -0.00009  -0.00072   3.10494
    D3        3.13848  -0.00000  -0.00019   0.00011  -0.00008   3.13839
    D4       -0.03404  -0.00001  -0.00062  -0.00004  -0.00066  -0.03470
    D5        0.00116  -0.00000   0.00001  -0.00022  -0.00020   0.00096
    D6        3.11345  -0.00000   0.00036  -0.00029   0.00007   3.11352
    D7        3.14086  -0.00000   0.00001  -0.00027  -0.00026   3.14060
    D8       -0.03004  -0.00000   0.00036  -0.00034   0.00002  -0.03002
    D9        2.49328   0.00002   0.00143   0.00031   0.00174   2.49502
   D10       -0.64920   0.00002   0.00139   0.00033   0.00172  -0.64748
   D11       -0.64638   0.00002   0.00144   0.00036   0.00180  -0.64458
   D12        2.49433   0.00002   0.00140   0.00038   0.00178   2.49611
   D13        0.00553   0.00001   0.00028   0.00018   0.00046   0.00599
   D14        3.13711   0.00000   0.00015   0.00019   0.00034   3.13745
   D15       -3.10450   0.00001   0.00072   0.00033   0.00105  -3.10345
   D16        0.02708   0.00001   0.00058   0.00034   0.00093   0.02801
   D17       -0.00225  -0.00001  -0.00018  -0.00025  -0.00044  -0.00269
   D18        3.14056  -0.00001  -0.00059  -0.00037  -0.00096   3.13959
   D19       -3.13410  -0.00000  -0.00006  -0.00027  -0.00032  -3.13443
   D20        0.00871  -0.00001  -0.00046  -0.00038  -0.00085   0.00786
   D21        3.14031   0.00002   0.00150   0.00047   0.00196  -3.14091
   D22        0.00705   0.00002   0.00148   0.00052   0.00200   0.00905
   D23       -0.01147   0.00002   0.00136   0.00048   0.00184  -0.00963
   D24        3.13845   0.00002   0.00135   0.00053   0.00188   3.14033
   D25       -0.00139   0.00000   0.00001   0.00010   0.00011  -0.00127
   D26       -3.13151   0.00000  -0.00015   0.00016   0.00002  -3.13149
   D27        3.13899   0.00001   0.00042   0.00022   0.00064   3.13963
   D28        0.00887   0.00001   0.00026   0.00028   0.00054   0.00941
   D29        0.00209  -0.00000  -0.00088   0.00002  -0.00086   0.00123
   D30       -3.13984  -0.00000  -0.00061   0.00010  -0.00051  -3.14035
   D31       -3.13828  -0.00001  -0.00128  -0.00010  -0.00139  -3.13967
   D32        0.00298  -0.00001  -0.00101  -0.00002  -0.00103   0.00194
   D33        0.00196   0.00000   0.00008   0.00014   0.00022   0.00218
   D34       -3.11032   0.00000  -0.00027   0.00020  -0.00006  -3.11039
   D35        3.13178   0.00000   0.00024   0.00008   0.00032   3.13210
   D36        0.01950   0.00000  -0.00011   0.00014   0.00004   0.01953
   D37        0.00315  -0.00001  -0.00088  -0.00020  -0.00108   0.00207
   D38       -3.13907  -0.00001  -0.00029  -0.00023  -0.00052  -3.13959
   D39        3.13667  -0.00001  -0.00086  -0.00025  -0.00111   3.13556
   D40       -0.00554  -0.00001  -0.00028  -0.00028  -0.00056  -0.00610
   D41        3.13967   0.00001   0.00047   0.00011   0.00058   3.14026
   D42        0.03107   0.00001   0.00116   0.00004   0.00120   0.03227
   D43        0.00620   0.00001   0.00045   0.00016   0.00062   0.00681
   D44       -3.10240   0.00001   0.00115   0.00009   0.00123  -3.10117
   D45        0.00779  -0.00000  -0.00048  -0.00017  -0.00066   0.00714
   D46       -3.13368   0.00000   0.00015  -0.00014   0.00001  -3.13367
   D47       -3.13316  -0.00001  -0.00108  -0.00014  -0.00122  -3.13439
   D48        0.00855  -0.00000  -0.00044  -0.00011  -0.00055   0.00800
   D49        0.00189   0.00000  -0.00009   0.00018   0.00009   0.00198
   D50       -3.13226   0.00001   0.00006   0.00033   0.00039  -3.13188
   D51       -3.14034   0.00001   0.00050   0.00015   0.00066  -3.13968
   D52        0.00869   0.00001   0.00066   0.00030   0.00095   0.00965
   D53       -0.01050   0.00001   0.00136   0.00027   0.00163  -0.00886
   D54        3.13144   0.00001   0.00108   0.00018   0.00127   3.13271
   D55        3.13098   0.00000   0.00076   0.00024   0.00100   3.13198
   D56       -0.01027   0.00000   0.00048   0.00015   0.00063  -0.00963
   D57       -3.13478  -0.00000  -0.00101   0.00003  -0.00098  -3.13576
   D58        0.02025   0.00000  -0.00220   0.00020  -0.00200   0.01825
   D59        0.02692  -0.00001  -0.00296   0.00004  -0.00291   0.02400
   D60        0.00693   0.00000  -0.00040   0.00007  -0.00033   0.00660
   D61       -3.12123   0.00001  -0.00158   0.00024  -0.00135  -3.12258
   D62       -3.11456  -0.00000  -0.00234   0.00007  -0.00226  -3.11682
   D63       -3.13886  -0.00001  -0.00046  -0.00030  -0.00076  -3.13962
   D64        0.00239  -0.00001  -0.00018  -0.00022  -0.00040   0.00199
   D65       -0.00295  -0.00000  -0.00024   0.00006  -0.00018  -0.00313
   D66        3.14134  -0.00000  -0.00019   0.00001  -0.00018   3.14116
   D67        3.10620  -0.00001  -0.00092   0.00013  -0.00079   3.10541
   D68       -0.03269  -0.00001  -0.00088   0.00008  -0.00079  -0.03348
   D69       -0.00099  -0.00000  -0.00016  -0.00016  -0.00032  -0.00130
   D70        3.11118  -0.00000   0.00008  -0.00021  -0.00013   3.11105
   D71        3.13790  -0.00000  -0.00020  -0.00011  -0.00032   3.13759
   D72       -0.03312  -0.00000   0.00004  -0.00017  -0.00013  -0.03325
   D73        2.51676   0.00003   0.00169   0.00049   0.00217   2.51893
   D74       -0.62632   0.00003   0.00156   0.00059   0.00214  -0.62418
   D75       -0.62206   0.00002   0.00174   0.00044   0.00217  -0.61988
   D76        2.51805   0.00002   0.00161   0.00054   0.00214   2.52020
   D77        0.00145   0.00000   0.00032   0.00004   0.00036   0.00181
   D78        3.13578  -0.00000   0.00017  -0.00010   0.00007   3.13585
   D79       -3.11107   0.00000   0.00008   0.00009   0.00017  -3.11089
   D80        0.02327  -0.00000  -0.00007  -0.00005  -0.00012   0.02315
   D81        0.00343  -0.00001   0.00005  -0.00020  -0.00016   0.00327
   D82       -3.14074  -0.00000   0.00035  -0.00018   0.00017  -3.14057
   D83        3.13290  -0.00001   0.00111  -0.00035   0.00076   3.13366
   D84       -0.01127  -0.00001   0.00141  -0.00033   0.00109  -0.01019
   D85        3.12901  -0.00000   0.00157  -0.00021   0.00137   3.13038
   D86       -0.01516  -0.00000   0.00187  -0.00018   0.00170  -0.01346
   D87       -0.01170   0.00000   0.00028   0.00013   0.00041  -0.01129
   D88        3.14126   0.00000  -0.00002   0.00018   0.00016   3.14142
   D89        3.13242   0.00000  -0.00002   0.00011   0.00009   3.13251
   D90        0.00220  -0.00000  -0.00032   0.00015  -0.00016   0.00204
   D91       -3.13829  -0.00000  -0.00015  -0.00011  -0.00025  -3.13854
   D92       -0.00727  -0.00000  -0.00042  -0.00007  -0.00050  -0.00777
   D93        0.00068   0.00000   0.00016  -0.00008   0.00008   0.00076
   D94        3.13169  -0.00000  -0.00012  -0.00005  -0.00016   3.13153
   D95        0.00864   0.00000  -0.00020   0.00008  -0.00013   0.00852
   D96        3.13880   0.00000   0.00010   0.00003   0.00013   3.13893
   D97       -0.00408  -0.00000   0.00011  -0.00010   0.00001  -0.00406
   D98        3.10811   0.00000   0.00037  -0.00013   0.00023   3.10834
   D99       -3.13442  -0.00000  -0.00018  -0.00005  -0.00023  -3.13465
   D100      -0.02223  -0.00000   0.00007  -0.00009  -0.00001  -0.02225
   D101      -0.00181   0.00000   0.00020  -0.00005   0.00015  -0.00166
   D102       3.11096   0.00000   0.00080  -0.00038   0.00043   3.11139
   D103      -3.13242   0.00000   0.00049  -0.00008   0.00040  -3.13201
   D104      -0.01965   0.00000   0.00109  -0.00041   0.00068  -0.01896
   D105       0.00000  -0.00000  -0.00040   0.00010  -0.00029  -0.00029
   D106       3.13976  -0.00001  -0.00071   0.00017  -0.00055   3.13922
   D107      -3.11274  -0.00000  -0.00101   0.00043  -0.00058  -3.11332
   D108       0.02702  -0.00001  -0.00132   0.00050  -0.00083   0.02619
   D109       0.00299   0.00000   0.00023  -0.00003   0.00020   0.00319
   D110      -3.10785   0.00000  -0.00004   0.00001  -0.00003  -3.10787
   D111      -3.13676   0.00001   0.00055  -0.00009   0.00046  -3.13630
   D112       0.03560   0.00000   0.00028  -0.00006   0.00023   0.03582
   D113       0.61484   0.00002   0.00126   0.00021   0.00147   0.61631
   D114      -2.52989   0.00002   0.00150   0.00008   0.00159  -2.52830
   D115      -2.52864   0.00001   0.00093   0.00028   0.00121  -2.52743
   D116       0.60982   0.00001   0.00118   0.00015   0.00133   0.61114
   D117      -3.13065  -0.00000  -0.00007   0.00003  -0.00004  -3.13069
   D118      -0.03541  -0.00000  -0.00032   0.00008  -0.00024  -0.03565
   D119       0.01180  -0.00000  -0.00003   0.00001  -0.00002   0.01178
   D120       3.10704  -0.00000  -0.00028   0.00006  -0.00022   3.10682
   D121      -3.13573  -0.00000   0.00003  -0.00006  -0.00003  -3.13576
   D122      -0.04294  -0.00000  -0.00016  -0.00001  -0.00017  -0.04311
   D123       0.00500  -0.00000  -0.00001  -0.00004  -0.00005   0.00496
   D124       3.09779  -0.00000  -0.00019   0.00001  -0.00018   3.09761
   D125      -3.13019  -0.00000  -0.00013   0.00005  -0.00008  -3.13027
   D126      -0.03393  -0.00000  -0.00034   0.00004  -0.00030  -0.03423
   D127       0.01284  -0.00000  -0.00000  -0.00005  -0.00005   0.01279
   D128       3.10910  -0.00000  -0.00021  -0.00006  -0.00027   3.10883
   D129      -3.13457  -0.00000   0.00007  -0.00008  -0.00001  -3.13458
   D130      -0.04466  -0.00000  -0.00004  -0.00009  -0.00014  -0.04480
   D131       0.00558  -0.00000  -0.00006   0.00002  -0.00004   0.00554
   D132       3.09549  -0.00000  -0.00017   0.00000  -0.00017   3.09532
   D133       3.12535   0.00000   0.00021  -0.00004   0.00016   3.12551
   D134       0.03209   0.00000   0.00022  -0.00007   0.00015   0.03224
   D135      -0.01321   0.00000  -0.00003   0.00008   0.00005  -0.01315
   D136      -3.10646   0.00000  -0.00001   0.00006   0.00004  -3.10642
   D137       3.14021  -0.00000  -0.00019   0.00007  -0.00012   3.14009
   D138       0.04642  -0.00000  -0.00031   0.00013  -0.00018   0.04624
   D139      -0.00442  -0.00000   0.00005  -0.00005  -0.00001  -0.00443
   D140      -3.09821  -0.00000  -0.00007   0.00000  -0.00007  -3.09828
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   D142       3.09955  -0.00000   0.00003  -0.00003   0.00000   3.09955
   D143      -3.11621   0.00000   0.00025   0.00006   0.00031  -3.11590
   D144       0.00305   0.00000   0.00024  -0.00002   0.00022   0.00327
   D145       0.00792  -0.00000  -0.00002  -0.00003  -0.00005   0.00787
   D146      -3.13147  -0.00000  -0.00000  -0.00008  -0.00008  -3.13155
   D147      -3.11149   0.00000  -0.00001   0.00005   0.00004  -3.11145
   D148       0.03230   0.00000   0.00001   0.00000   0.00001   0.03231
   D149       0.01024  -0.00000  -0.00004   0.00000  -0.00004   0.01020
   D150      -3.10444   0.00000  -0.00011   0.00007  -0.00004  -3.10449
   D151      -3.13355   0.00000  -0.00006   0.00005  -0.00001  -3.13356
   D152       0.03495   0.00000  -0.00013   0.00012  -0.00001   0.03494
   D153       0.91015  -0.00001  -0.00002  -0.00020  -0.00021   0.90993
   D154      -2.23078  -0.00001  -0.00009  -0.00027  -0.00035  -2.23113
   D155      -2.22922  -0.00001  -0.00000  -0.00025  -0.00025  -2.22947
   D156       0.91304  -0.00001  -0.00007  -0.00032  -0.00039   0.91265
   D157      -0.01713   0.00000   0.00008   0.00000   0.00009  -0.01705
   D158      -3.10734   0.00000   0.00019   0.00001   0.00021  -3.10713
   D159       3.09733   0.00000   0.00015  -0.00007   0.00009   3.09742
   D160       0.00713   0.00000   0.00026  -0.00005   0.00021   0.00734
   D161      -0.01811   0.00000   0.00005   0.00002   0.00007  -0.01803
   D162       3.09972   0.00000   0.00012   0.00001   0.00014   3.09986
   D163      -3.11359   0.00000   0.00030  -0.00003   0.00026  -3.11332
   D164       0.00425   0.00000   0.00037  -0.00004   0.00033   0.00457
   D165       0.00739  -0.00000  -0.00002  -0.00003  -0.00005   0.00734
   D166      -3.13295  -0.00000  -0.00004  -0.00002  -0.00005  -3.13301
   D167      -3.11063  -0.00000  -0.00009  -0.00002  -0.00011  -3.11074
   D168       0.03221  -0.00000  -0.00011  -0.00001  -0.00012   0.03209
   D169       0.00917  -0.00000  -0.00002   0.00000  -0.00002   0.00914
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   D171      -3.13367  -0.00000  -0.00001  -0.00001  -0.00002  -3.13369
   D172       0.03396  -0.00000  -0.00014   0.00003  -0.00012   0.03384
   D173      -2.22074   0.00000   0.00064   0.00005   0.00069  -2.22005
   D174       0.91984   0.00000   0.00070   0.00006   0.00075   0.92059
   D175       0.92211   0.00000   0.00063   0.00006   0.00069   0.92280
   D176      -2.22049   0.00000   0.00068   0.00007   0.00075  -2.21974
   D177      -0.01550   0.00000   0.00004   0.00003   0.00007  -0.01542
   D178      -3.10852   0.00000   0.00022  -0.00002   0.00020  -3.10832
   D179       3.09984   0.00000   0.00018  -0.00001   0.00017   3.10001
   D180       0.00682   0.00000   0.00036  -0.00005   0.00030   0.00712
   D181       0.01979  -0.00000   0.00002  -0.00006  -0.00004   0.01975
   D182      -3.09882   0.00000   0.00002   0.00001   0.00003  -3.09879
   D183       3.11347  -0.00000  -0.00000  -0.00003  -0.00003   3.11343
   D184      -0.00514  -0.00000  -0.00001   0.00004   0.00004  -0.00511
   D185      -0.00850  -0.00000  -0.00002   0.00001  -0.00002  -0.00851
   D186       3.13064   0.00000   0.00000  -0.00000  -0.00000   3.13064
   D187       3.11028  -0.00000  -0.00002  -0.00007  -0.00009   3.11019
   D188      -0.03377  -0.00000   0.00001  -0.00008  -0.00007  -0.03384
   D189      -0.00888   0.00000   0.00004   0.00002   0.00006  -0.00883
   D190       3.10562  -0.00000   0.00014  -0.00014  -0.00000   3.10562
   D191       3.13516   0.00000   0.00001   0.00003   0.00004   3.13520
   D192      -0.03352  -0.00000   0.00011  -0.00013  -0.00002  -0.03354
   D193       2.23643   0.00001   0.00061   0.00017   0.00079   2.23722
   D194      -0.90571   0.00001   0.00044   0.00008   0.00053  -0.90519
   D195      -0.90764   0.00001   0.00064   0.00016   0.00080  -0.90684
   D196       2.23339   0.00001   0.00047   0.00007   0.00054   2.23393
   D197       0.01545  -0.00000  -0.00005   0.00000  -0.00005   0.01541
   D198       3.10947  -0.00000   0.00006  -0.00005   0.00001   3.10948
   D199      -3.09884   0.00000  -0.00015   0.00017   0.00001  -3.09882
   D200      -0.00482   0.00000  -0.00004   0.00011   0.00007  -0.00475
   D201       3.13987   0.00000   0.00002   0.00004   0.00006   3.13994
   D202       0.03523  -0.00000  -0.00034   0.00010  -0.00024   0.03499
   D203      -0.00086   0.00000  -0.00003   0.00004   0.00001  -0.00085
   D204      -3.10550  -0.00000  -0.00039   0.00010  -0.00029  -3.10579
   D205       3.14148  -0.00000  -0.00001  -0.00002  -0.00004   3.14144
   D206       0.03676  -0.00000  -0.00040   0.00005  -0.00035   0.03641
   D207      -0.00098   0.00000   0.00003  -0.00002   0.00001  -0.00096
   D208      -3.10570  -0.00000  -0.00036   0.00006  -0.00030  -3.10600
   D209       3.14105  -0.00000  -0.00006  -0.00001  -0.00007   3.14097
   D210       0.03705  -0.00000  -0.00028   0.00011  -0.00017   0.03688
   D211      -0.00112   0.00000  -0.00000   0.00005   0.00005  -0.00107
   D212      -3.10511   0.00000  -0.00022   0.00017  -0.00005  -3.10517
   D213       3.14025   0.00000   0.00008   0.00002   0.00010   3.14035
   D214       0.03636   0.00000  -0.00017   0.00021   0.00004   0.03640
   D215      -0.00077  -0.00000   0.00002  -0.00004  -0.00002  -0.00079
   D216      -3.10466   0.00000  -0.00023   0.00015  -0.00008  -3.10474
   D217      -3.14112  -0.00000  -0.00010  -0.00008  -0.00018  -3.14130
   D218      -0.03776  -0.00001  -0.00008  -0.00027  -0.00035  -0.03811
   D219       0.00095   0.00000   0.00004  -0.00000   0.00004   0.00099
   D220       3.10431  -0.00000   0.00007  -0.00019  -0.00012   3.10418
   D221      -3.14012   0.00000   0.00008   0.00006   0.00014  -3.13997
   D222      -0.03649  -0.00000   0.00008  -0.00010  -0.00002  -0.03651
   D223       0.00100  -0.00000  -0.00006  -0.00002  -0.00008   0.00092
   D224       3.10463  -0.00001  -0.00007  -0.00018  -0.00025   3.10438
   D225       0.00251  -0.00000  -0.00002  -0.00003  -0.00005   0.00246
   D226      -3.12808   0.00000   0.00018   0.00003   0.00021  -3.12787
   D227       3.11007  -0.00000   0.00019  -0.00015   0.00004   3.11011
   D228      -0.02052   0.00000   0.00038  -0.00008   0.00030  -0.02022
   D229       3.11960  -0.00000  -0.00007  -0.00004  -0.00011   3.11949
   D230      -0.01418  -0.00000   0.00007  -0.00004   0.00003  -0.01415
   D231       0.01974  -0.00000  -0.00032   0.00010  -0.00022   0.01953
   D232      -3.11403   0.00000  -0.00018   0.00010  -0.00008  -3.11411
   D233      -0.00293   0.00000   0.00003   0.00001   0.00004  -0.00289
   D234       3.12528  -0.00001  -0.00021  -0.00008  -0.00029   3.12499
   D235       3.12548  -0.00001  -0.00021  -0.00007  -0.00028   3.12520
   D236      -0.02950  -0.00001  -0.00045  -0.00016  -0.00061  -0.03011
   D237       0.00640  -0.00000  -0.00024   0.00002  -0.00022   0.00618
   D238      -3.14076  -0.00000   0.00001  -0.00003  -0.00003  -3.14078
   D239      -3.12068   0.00000   0.00002   0.00011   0.00013  -3.12055
   D240       0.01534   0.00001   0.00026   0.00006   0.00032   0.01567
   D241       0.00229   0.00000  -0.00003   0.00002  -0.00001   0.00229
   D242       3.10979  -0.00000   0.00020  -0.00015   0.00005   3.10983
   D243      -3.12813   0.00000   0.00017   0.00009   0.00026  -3.12787
   D244      -0.02064   0.00000   0.00040  -0.00008   0.00032  -0.02032
   D245      -3.12027   0.00000   0.00002   0.00011   0.00013  -3.12014
   D246       0.01534   0.00001   0.00027   0.00006   0.00033   0.01567
   D247       0.00659  -0.00000  -0.00025   0.00002  -0.00023   0.00637
   D248      -3.14098  -0.00000   0.00001  -0.00004  -0.00003  -3.14101
   D249       3.11941  -0.00000  -0.00005  -0.00012  -0.00016   3.11924
   D250      -0.01361  -0.00000   0.00006  -0.00009  -0.00003  -0.01364
   D251       0.01965  -0.00000  -0.00033   0.00010  -0.00023   0.01942
   D252      -3.11337   0.00000  -0.00022   0.00012  -0.00009  -3.11347
   D253       0.00230  -0.00000   0.00001  -0.00004  -0.00003   0.00227
   D254      -3.12818   0.00000   0.00010   0.00001   0.00011  -3.12807
   D255       3.11046   0.00000   0.00034  -0.00010   0.00024   3.11069
   D256      -0.02003   0.00000   0.00043  -0.00004   0.00038  -0.01965
   D257       3.11959  -0.00000   0.00002  -0.00000   0.00002   3.11961
   D258      -0.01394   0.00000   0.00016  -0.00003   0.00013  -0.01381
   D259       0.01901  -0.00000  -0.00038   0.00006  -0.00031   0.01870
   D260      -3.11452  -0.00000  -0.00024   0.00004  -0.00020  -3.11472
   D261      -0.00285   0.00000   0.00001   0.00003   0.00004  -0.00281
   D262       3.12560  -0.00000  -0.00013  -0.00001  -0.00014   3.12546
   D263       3.12542  -0.00000  -0.00010  -0.00003  -0.00013   3.12528
   D264      -0.02932  -0.00001  -0.00024  -0.00007  -0.00031  -0.02963
   D265       0.00646  -0.00000  -0.00024   0.00002  -0.00022   0.00624
   D266      -3.14088  -0.00000   0.00002  -0.00005  -0.00003  -3.14090
   D267      -3.12048   0.00000  -0.00011   0.00008  -0.00003  -3.12051
   D268       0.01537   0.00000   0.00015   0.00002   0.00017   0.01554
   D269       0.00238  -0.00000  -0.00003  -0.00001  -0.00003   0.00234
   D270       3.11060   0.00000   0.00032  -0.00008   0.00025   3.11085
   D271      -3.12826   0.00000   0.00009   0.00003   0.00011  -3.12815
   D272      -0.02004   0.00000   0.00044  -0.00004   0.00040  -0.01964
   D273      -3.12077   0.00000  -0.00008   0.00006  -0.00003  -3.12079
   D274       0.01518   0.00000   0.00018   0.00000   0.00018   0.01537
   D275       0.00637  -0.00000  -0.00024   0.00001  -0.00022   0.00615
   D276      -3.14086  -0.00000   0.00003  -0.00004  -0.00001  -3.14088
   D277       3.11980  -0.00000   0.00004  -0.00003   0.00002   3.11981
   D278      -0.01383   0.00000   0.00015  -0.00003   0.00012  -0.01371
   D279       0.01913  -0.00000  -0.00039   0.00006  -0.00033   0.01880
   D280      -3.11449  -0.00000  -0.00028   0.00006  -0.00023  -3.11472
   D281      -0.00247   0.00000  -0.00000   0.00002   0.00002  -0.00245
   D282       3.12795  -0.00001  -0.00029  -0.00011  -0.00040   3.12756
   D283      -3.10947   0.00000  -0.00003   0.00019   0.00016  -3.10931
   D284       0.02095  -0.00000  -0.00031   0.00006  -0.00025   0.02070
   D285      -3.11918   0.00001   0.00020   0.00010   0.00031  -3.11888
   D286       0.01368   0.00000   0.00014   0.00006   0.00021   0.01389
   D287      -0.02003   0.00000   0.00023  -0.00011   0.00012  -0.01990
   D288       3.11284  -0.00000   0.00017  -0.00015   0.00002   3.11286
   D289       0.00303  -0.00000  -0.00004  -0.00003  -0.00007   0.00296
   D290      -3.12549   0.00001   0.00038   0.00010   0.00048  -3.12501
   D291      -3.12517   0.00001   0.00031   0.00012   0.00043  -3.12474
   D292       0.02949   0.00002   0.00072   0.00026   0.00098   0.03047
   D293      -0.00663   0.00000   0.00022   0.00002   0.00024  -0.00639
   D294       3.14092   0.00000   0.00002   0.00004   0.00006   3.14098
   D295       3.12024  -0.00001  -0.00016  -0.00015  -0.00031   3.11993
   D296      -0.01540  -0.00001  -0.00036  -0.00013  -0.00049  -0.01588
   D297      -0.00250   0.00000   0.00006   0.00003   0.00009  -0.00241
   D298      -3.10974   0.00000   0.00007   0.00017   0.00024  -3.10951
   D299       3.12819  -0.00001  -0.00028  -0.00008  -0.00037   3.12782
   D300       0.02095  -0.00000  -0.00028   0.00006  -0.00022   0.02073
   D301       3.12062  -0.00001  -0.00024  -0.00014  -0.00039   3.12023
   D302      -0.01524  -0.00001  -0.00046  -0.00011  -0.00057  -0.01580
   D303      -0.00660   0.00000   0.00021   0.00001   0.00022  -0.00638
   D304       3.14073   0.00000  -0.00001   0.00004   0.00004   3.14077
   D305      -3.11952   0.00001   0.00020   0.00009   0.00029  -3.11923
   D306       0.01383   0.00000   0.00011   0.00004   0.00016   0.01398
   D307      -0.02007   0.00000   0.00020  -0.00009   0.00011  -0.01996
   D308       3.11327  -0.00000   0.00011  -0.00013  -0.00002   3.11325
   D309       0.00750   0.00000   0.00004   0.00002   0.00006   0.00756
   D310      -3.14025  -0.00000  -0.00014   0.00002  -0.00012  -3.14037
   D311      -3.12810  -0.00000  -0.00022   0.00008  -0.00014  -3.12823
   D312       0.00734  -0.00000  -0.00040   0.00008  -0.00032   0.00702
   D313      -0.00834  -0.00000   0.00003  -0.00000   0.00002  -0.00831
   D314       3.12904   0.00000   0.00015  -0.00002   0.00012   3.12916
   D315       3.13940   0.00000   0.00021   0.00000   0.00021   3.13961
   D316      -0.00641   0.00000   0.00032  -0.00002   0.00030  -0.00611
   D317      -0.00523   0.00000   0.00011  -0.00006   0.00006  -0.00517
   D318       3.12783  -0.00000   0.00001  -0.00008  -0.00008   3.12775
   D319       3.14056  -0.00000  -0.00000  -0.00004  -0.00004   3.14052
   D320      -0.00956  -0.00000  -0.00011  -0.00006  -0.00017  -0.00973
   D321      -0.00548   0.00000   0.00012  -0.00006   0.00006  -0.00543
   D322       3.13962  -0.00000  -0.00002  -0.00003  -0.00004   3.13958
   D323       3.12834  -0.00000  -0.00002  -0.00006  -0.00008   3.12826
   D324      -0.00974  -0.00000  -0.00016  -0.00003  -0.00018  -0.00992
   D325      -0.00814  -0.00000   0.00002   0.00000   0.00002  -0.00812
   D326       3.13909   0.00000   0.00018   0.00001   0.00019   3.13927
   D327       3.12992   0.00000   0.00015  -0.00003   0.00012   3.13004
   D328      -0.00604   0.00000   0.00031  -0.00002   0.00029  -0.00575
   D329       0.00754   0.00000   0.00004   0.00002   0.00006   0.00760
   D330      -3.12848  -0.00000  -0.00020   0.00007  -0.00013  -3.12861
   D331      -3.13971  -0.00000  -0.00012   0.00001  -0.00011  -3.13982
   D332       0.00746  -0.00000  -0.00036   0.00006  -0.00030   0.00716
   D333       0.00727   0.00000   0.00001  -0.00001   0.00000   0.00728
   D334      -3.14000  -0.00000  -0.00016   0.00001  -0.00015  -3.14015
   D335      -3.12867  -0.00000  -0.00026   0.00005  -0.00021  -3.12887
   D336       0.00724  -0.00000  -0.00042   0.00006  -0.00036   0.00688
   D337      -0.00802   0.00000   0.00003   0.00002   0.00006  -0.00796
   D338       3.12985   0.00000   0.00020  -0.00001   0.00018   3.13003
   D339       3.13924   0.00000   0.00020   0.00001   0.00021   3.13945
   D340      -0.00607   0.00000   0.00036  -0.00003   0.00033  -0.00574
   D341      -0.00517   0.00000   0.00015  -0.00005   0.00010  -0.00507
   D342       3.12850  -0.00000   0.00005  -0.00005   0.00000   3.12850
   D343       3.14013  -0.00000  -0.00001  -0.00001  -0.00002   3.14011
   D344      -0.00939  -0.00000  -0.00012  -0.00001  -0.00012  -0.00952
   D345      -0.00504   0.00000   0.00015  -0.00006   0.00009  -0.00495
   D346       3.14046  -0.00000  -0.00000  -0.00003  -0.00003   3.14043
   D347       3.12854  -0.00000   0.00001  -0.00003  -0.00002   3.12851
   D348      -0.00915  -0.00000  -0.00014  -0.00001  -0.00015  -0.00930
   D349      -0.00806   0.00000   0.00003   0.00003   0.00006  -0.00800
   D350       3.13930   0.00000   0.00021   0.00000   0.00021   3.13951
   D351       3.12961   0.00000   0.00018   0.00001   0.00019   3.12980
   D352      -0.00622   0.00000   0.00036  -0.00002   0.00034  -0.00588
   D353       0.00720   0.00000   0.00002  -0.00001   0.00001   0.00720
   D354      -3.12864  -0.00000  -0.00024   0.00006  -0.00019  -3.12883
   D355      -3.14018  -0.00000  -0.00016   0.00002  -0.00014  -3.14032
   D356       0.00717  -0.00000  -0.00042   0.00008  -0.00034   0.00683
   D357      -0.00765  -0.00000  -0.00007  -0.00004  -0.00011  -0.00776
   D358       3.13979   0.00000   0.00007   0.00001   0.00008   3.13987
   D359       3.12819   0.00000   0.00014  -0.00007   0.00007   3.12826
   D360      -0.00755   0.00000   0.00028  -0.00002   0.00026  -0.00729
   D361       0.00836   0.00000  -0.00000   0.00000   0.00000   0.00836
   D362      -3.12961  -0.00000  -0.00010   0.00006  -0.00004  -3.12965
   D363      -3.13907  -0.00000  -0.00014  -0.00005  -0.00019  -3.13926
   D364       0.00614  -0.00000  -0.00024   0.00001  -0.00022   0.00591
   D365       0.00549   0.00000  -0.00006   0.00006   0.00000   0.00549
   D366      -3.12790   0.00000   0.00003   0.00010   0.00013  -3.12777
   D367      -3.13971   0.00000   0.00004  -0.00000   0.00004  -3.13967
   D368       0.01009   0.00000   0.00013   0.00004   0.00017   0.01025
   D369       0.00542   0.00000  -0.00006   0.00007   0.00001   0.00543
   D370      -3.14011   0.00000   0.00004   0.00002   0.00006  -3.14005
   D371      -3.12749   0.00000  -0.00001   0.00012   0.00011  -3.12738
   D372       0.01016   0.00000   0.00009   0.00006   0.00016   0.01032
   D373       0.00841   0.00000  -0.00002   0.00000  -0.00002   0.00839
   D374      -3.13928  -0.00000  -0.00016  -0.00004  -0.00020  -3.13949
   D375      -3.12923  -0.00000  -0.00012   0.00006  -0.00007  -3.12930
   D376       0.00626  -0.00000  -0.00027   0.00001  -0.00025   0.00601
   D377      -0.00765  -0.00000  -0.00006  -0.00005  -0.00011  -0.00776
   D378       3.12797   0.00000   0.00014  -0.00007   0.00007   3.12804
   D379       3.14005   0.00000   0.00009  -0.00001   0.00008   3.14013
   D380      -0.00751   0.00000   0.00029  -0.00003   0.00026  -0.00725
         Item               Value     Threshold  Converged?
 Maximum Force            0.000117     0.000450     YES
 RMS     Force            0.000011     0.000300     YES
 Maximum Displacement     0.035660     0.001800     NO 
 RMS     Displacement     0.005127     0.001200     NO 
 Predicted change in Energy=-3.244174D-07
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C74H46ClN5
 Framework group  C1[X(C74H46ClN5)]
 Deg. of freedom   372
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        1.256403    2.444138   -0.054052
      2          6           0        1.596659    1.090351   -0.025766
      3          6           0        0.629890    0.068427   -0.000278
      4          6           0       -0.733231    0.444828   -0.011342
      5          6           0       -1.082658    1.807814   -0.043644
      6          6           0       -0.111735    2.789498   -0.063332
      7          6           0        0.992575   -1.358762    0.024369
      8          6           0       -0.016937   -2.366337    0.049020
      9          6           0       -1.413713   -1.970088    0.046979
     10          6           0       -1.779043   -0.573158    0.011448
     11          6           0        2.334675   -1.768531    0.034389
     12          6           0        2.715446   -3.113019    0.059272
     13          6           0        1.699125   -4.088219    0.078649
     14          6           0        0.366666   -3.725628    0.074745
     15          7           0       -2.416574   -2.865747    0.078346
     16          6           0       -3.728740   -2.491091    0.069627
     17          6           0       -4.030147   -1.097607    0.021436
     18          7           0       -3.043232   -0.175338   -0.001436
     19          6           0       -4.774794   -3.443973    0.104179
     20          6           0       -6.074380   -2.997207    0.089352
     21          6           0       -6.411803   -1.607335    0.042391
     22          6           0       -5.383350   -0.681257    0.011174
     23          6           0        2.305931    3.491041   -0.076289
     24          6           0        4.145283   -3.498476    0.068475
     25          6           0       -7.830928   -1.182892    0.025307
     26          6           0        4.585507   -4.619702    0.793196
     27          6           0        5.928247   -4.980780    0.817979
     28          6           0        6.872441   -4.239375    0.094729
     29          6           0        6.446302   -3.126850   -0.643619
     30          6           0        5.104870   -2.760054   -0.645585
     31          6           0        2.138474    4.667228   -0.826984
     32          6           0        3.124418    5.647863   -0.862701
     33          6           0        4.305592    5.488295   -0.125892
     34          6           0        4.481644    4.326357    0.637377
     35          6           0        3.498842    3.342049    0.651638
     36          6           0       -8.809847   -1.891723    0.742737
     37          6           0      -10.139701   -1.484272    0.743647
     38          6           0      -10.535174   -0.362263    0.003000
     39          6           0       -9.571620    0.346773   -0.727919
     40          6           0       -8.240888   -0.055195   -0.706803
     41          7           0        5.307745    6.488822   -0.150981
     42          7           0        8.238724   -4.610461    0.107248
     43          7           0      -11.889525    0.048246   -0.009674
     44          6           0        8.746015   -5.886385   -0.179512
     45          6           0       10.158283   -5.856246   -0.061507
     46          6           0       10.521296   -4.505982    0.315765
     47          6           0        9.316008   -3.765327    0.409044
     48          6           0        6.662635    6.285941   -0.449235
     49          6           0        7.341131    7.528355   -0.372504
     50          6           0        6.355349    8.525199   -0.009396
     51          6           0        5.114427    7.851463    0.117090
     52          6           0      -12.357877    1.341425    0.265359
     53          6           0      -13.770794    1.352024    0.151167
     54          6           0      -14.174906    0.009389   -0.211473
     55          6           0      -12.992946   -0.767953   -0.300237
     56          6           0       11.740979   -3.877470    0.590833
     57          6           0       11.744640   -2.535407    0.959012
     58          6           0       10.539878   -1.820402    1.062992
     59          6           0        9.312164   -2.421888    0.794053
     60          6           0        8.069635   -7.045071   -0.570562
     61          6           0        8.829360   -8.185945   -0.820211
     62          6           0       10.228385   -8.177781   -0.691838
     63          6           0       10.897642   -7.016537   -0.317856
     64          6           0        6.420316    9.902870    0.228063
     65          6           0        5.262375   10.583493    0.591898
     66          6           0        4.043925    9.897560    0.728507
     67          6           0        3.951516    8.526694    0.497438
     68          6           0        7.326254    5.112294   -0.816823
     69          6           0        8.690739    5.195863   -1.085972
     70          6           0        9.381602    6.416055   -0.998825
     71          6           0        8.712216    7.584342   -0.647367
     72          6           0      -15.413860   -0.584731   -0.476963
     73          6           0      -15.458610   -1.929640   -0.831370
     74          6           0      -14.276106   -2.681448   -0.931339
     75          6           0      -13.030062   -2.114561   -0.671908
     76          6           0      -11.646855    2.483392    0.643878
     77          6           0      -12.371749    3.648791    0.884323
     78          6           0      -13.770561    3.680806    0.759059
     79          6           0      -14.474675    2.536082    0.397900
     80          1           0       -2.267822   -3.973565    0.125112
     81          1           0        2.648132    0.835519   -0.053976
     82          1           0       -2.134405    2.067153   -0.041816
     83          1           0       -0.403065    3.834768   -0.058766
     84          1           0        3.118831   -1.023178    0.054232
     85          1           0        1.955621   -5.142140    0.069537
     86          1           0       -0.382239   -4.513793    0.084767
     87          1           0       -4.520592   -4.499471    0.131066
     88          1           0       -6.875725   -3.728638    0.087096
     89          1           0       -5.575018    0.385747    0.006200
     90          1           0        3.874344   -5.192771    1.379543
     91          1           0        6.255489   -5.825827    1.413862
     92          1           0        7.166613   -2.569912   -1.232988
     93          1           0        4.790707   -1.914621   -1.249850
     94          1           0        1.242581    4.798087   -1.425910
     95          1           0        2.994697    6.531574   -1.478089
     96          1           0        5.379163    4.211923    1.235599
     97          1           0        3.640723    2.463807    1.273894
     98          1           0       -8.522939   -2.747901    1.345127
     99          1           0      -10.874271   -2.020121    1.334772
    100          1           0       -9.876536    1.195791   -1.329948
    101          1           0       -7.515453    0.489018   -1.303383
    102          1           0       12.671851   -4.433014    0.522644
    103          1           0       12.684490   -2.036451    1.173790
    104          1           0       10.561978   -0.776872    1.362963
    105          1           0        8.386891   -1.864935    0.889533
    106          1           0        6.991623   -7.059199   -0.684599
    107          1           0        8.325674   -9.098890   -1.123553
    108          1           0       10.790223   -9.084810   -0.891836
    109          1           0       11.980283   -7.007709   -0.230465
    110          1           0        7.364353   10.431800    0.134121
    111          1           0        5.299513   11.652393    0.777478
    112          1           0        3.153183   10.444132    1.023756
    113          1           0        3.009001    8.004416    0.617294
    114          1           0        6.799571    4.168144   -0.898544
    115          1           0        9.228283    4.296807   -1.372512
    116          1           0       10.445307    6.446264   -1.213227
    117          1           0        9.244688    8.529420   -0.591726
    118          1           0      -16.327435   -0.000848   -0.411866
    119          1           0      -16.413531   -2.402574   -1.038229
    120          1           0      -14.330097   -3.726873   -1.220088
    121          1           0      -12.122793   -2.700741   -0.764485
    122          1           0      -10.568677    2.466174    0.756154
    123          1           0      -11.840682    4.549274    1.178296
    124          1           0      -14.305056    4.605771    0.951737
    125          1           0      -15.557332    2.558318    0.313442
    126         17           0       -2.346972   -5.787112    0.212646
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           0.0230110           0.0074956           0.0056911
 Standard basis: 6-31G(d,p) (6D, 7F)
 There are  1434 symmetry adapted cartesian basis functions of A   symmetry.
 There are  1434 symmetry adapted basis functions of A   symmetry.
  1434 basis functions,  2586 primitive gaussians,  1434 cartesian basis functions
   271 alpha electrons      271 beta electrons
       nuclear repulsion energy     10549.7987316386 Hartrees.
 NAtoms=  126 NActive=  126 NUniq=  126 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=T Big=T
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 One-electron integrals computed using PRISM.
 NBasis=  1434 RedAO= T EigKep=  1.50D-04  NBF=  1434
 NBsUse=  1434 1.00D-06 EigRej= -1.00D+00 NBFU=  1434
 Initial guess from the checkpoint file:  "ph.chk"
 B after Tr=     0.000000   -0.000000    0.000000
         Rot=    1.000000   -0.000022   -0.000001    0.000010 Ang=  -0.00 deg.
 ExpMin= 1.43D-01 ExpMax= 2.52D+04 ExpMxC= 3.78D+03 IAcc=2 IRadAn=         4 AccDes= 0.00D+00
 Harris functional with IExCor=  402 and IRadAn=       4 diagonalized for initial guess.
 HarFok:  IExCor=  402 AccDes= 0.00D+00 IRadAn=         4 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=        2001
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Petite list used in FoFCou.
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Integral accuracy reduced to 1.0D-05 until final iterations.
 Initial convergence to 1.0D-05 achieved.  Increase integral accuracy.
 SCF Done:  E(RB3LYP) =  -3581.78142265     A.U. after    9 cycles
            NFock=  9  Conv=0.61D-08     -V/T= 2.0089
 Calling FoFJK, ICntrl=      2127 FMM=T ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000001910   -0.000000680   -0.000001859
      2        6          -0.000004541   -0.000000428   -0.000002440
      3        6           0.000010800    0.000022236    0.000005038
      4        6          -0.000008279   -0.000009326   -0.000010317
      5        6          -0.000010496    0.000011383   -0.000002257
      6        6           0.000009015   -0.000003348    0.000015519
      7        6           0.000012790   -0.000020144   -0.000000228
      8        6          -0.000018748   -0.000006645    0.000007035
      9        6           0.000034329    0.000018636   -0.000000121
     10        6           0.000014524   -0.000008676    0.000010152
     11        6          -0.000002882   -0.000003950    0.000000262
     12        6          -0.000012096   -0.000001368   -0.000000989
     13        6           0.000007347    0.000008136   -0.000014278
     14        6          -0.000007977   -0.000000918   -0.000004912
     15        7          -0.000038383    0.000027324    0.000000124
     16        6          -0.000005523    0.000012421   -0.000007511
     17        6           0.000038588   -0.000034195    0.000005759
     18        7          -0.000040754    0.000014736   -0.000012492
     19        6           0.000003803    0.000007440    0.000012569
     20        6          -0.000004492   -0.000023093   -0.000002744
     21        6          -0.000004716    0.000019080   -0.000000043
     22        6          -0.000005472    0.000002313   -0.000004738
     23        6          -0.000000681    0.000001108    0.000001853
     24        6           0.000012761    0.000005722    0.000000480
     25        6          -0.000002005   -0.000001401   -0.000000515
     26        6          -0.000007816   -0.000005877    0.000010690
     27        6           0.000010395   -0.000004019    0.000006915
     28        6           0.000002534    0.000002424    0.000003790
     29        6           0.000002104    0.000013734   -0.000007847
     30        6          -0.000011414   -0.000006861   -0.000012285
     31        6          -0.000000704    0.000002124   -0.000005630
     32        6          -0.000001426    0.000002424    0.000000642
     33        6           0.000029992   -0.000015047    0.000003011
     34        6          -0.000000480   -0.000003341    0.000000671
     35        6          -0.000008356    0.000002256    0.000005177
     36        6           0.000007634    0.000006393   -0.000006511
     37        6          -0.000003413   -0.000011019    0.000003018
     38        6          -0.000018725   -0.000006161    0.000007583
     39        6          -0.000005658    0.000003056   -0.000005473
     40        6           0.000007753    0.000000467    0.000003664
     41        7           0.000014531   -0.000008097    0.000005397
     42        7           0.000047767    0.000024888   -0.000007792
     43        7          -0.000027318   -0.000019432   -0.000013282
     44        6          -0.000017575   -0.000056836   -0.000009297
     45        6           0.000017806   -0.000002257   -0.000006087
     46        6           0.000006701    0.000017291    0.000007629
     47        6          -0.000059732    0.000012433    0.000014672
     48        6          -0.000042508   -0.000007548   -0.000007778
     49        6           0.000008078   -0.000009876   -0.000002114
     50        6           0.000011834   -0.000001527    0.000003841
     51        6          -0.000018061    0.000039582   -0.000003003
     52        6           0.000013337    0.000049609    0.000015965
     53        6          -0.000017907    0.000004199    0.000014513
     54        6          -0.000003853   -0.000017483   -0.000012772
     55        6           0.000052479   -0.000006889   -0.000006915
     56        6           0.000001709   -0.000005252   -0.000000682
     57        6           0.000007147    0.000005929   -0.000003584
     58        6          -0.000007949   -0.000007060   -0.000002009
     59        6           0.000008589   -0.000003387   -0.000004257
     60        6           0.000001641    0.000009338    0.000002979
     61        6          -0.000010502   -0.000004646    0.000001440
     62        6           0.000009505    0.000003177    0.000003857
     63        6          -0.000003987    0.000004646    0.000000363
     64        6          -0.000002437   -0.000002177    0.000000958
     65        6           0.000008205   -0.000003124   -0.000002086
     66        6          -0.000009065    0.000003458   -0.000002425
     67        6           0.000003277   -0.000007844   -0.000000802
     68        6           0.000007575    0.000002167    0.000002851
     69        6          -0.000007603    0.000005628    0.000000245
     70        6           0.000006410   -0.000004608    0.000004037
     71        6           0.000000833    0.000003063   -0.000001176
     72        6          -0.000003327    0.000006355    0.000004268
     73        6          -0.000006270   -0.000005928    0.000002613
     74        6           0.000005457    0.000007751    0.000000717
     75        6          -0.000005555    0.000001382    0.000003880
     76        6          -0.000000680   -0.000004964   -0.000006670
     77        6           0.000008296    0.000000613   -0.000001022
     78        6          -0.000007271   -0.000003273   -0.000002598
     79        6           0.000004454   -0.000005021   -0.000004776
     80        1           0.000008001   -0.000036224    0.000005195
     81        1           0.000008147    0.000005950    0.000009917
     82        1           0.000003358   -0.000002299   -0.000000163
     83        1           0.000001365   -0.000002969   -0.000007609
     84        1           0.000010227   -0.000003800   -0.000003633
     85        1           0.000001771    0.000001781    0.000002636
     86        1          -0.000006199    0.000002052    0.000005822
     87        1           0.000003017    0.000001058   -0.000003899
     88        1           0.000001297    0.000005835    0.000008487
     89        1           0.000000629   -0.000002425   -0.000000436
     90        1          -0.000002758    0.000000043    0.000001278
     91        1          -0.000002518   -0.000000261   -0.000001676
     92        1          -0.000001244   -0.000002318    0.000002876
     93        1          -0.000002016   -0.000004260    0.000000006
     94        1          -0.000001077   -0.000001314   -0.000003338
     95        1          -0.000003622    0.000000482    0.000000388
     96        1          -0.000002616    0.000002710   -0.000001895
     97        1           0.000000320    0.000002959    0.000001700
     98        1          -0.000003928   -0.000001297    0.000003374
     99        1           0.000002380    0.000003131   -0.000001285
    100        1           0.000003980    0.000000791    0.000001835
    101        1           0.000000705   -0.000003289   -0.000002876
    102        1          -0.000000823   -0.000000424   -0.000001002
    103        1          -0.000001557   -0.000000405    0.000002058
    104        1           0.000000304    0.000001523    0.000000620
    105        1           0.000001197   -0.000001586   -0.000000967
    106        1          -0.000000715    0.000001612    0.000001149
    107        1           0.000001568   -0.000000443    0.000000003
    108        1          -0.000000897   -0.000001191   -0.000001768
    109        1          -0.000000454   -0.000000764    0.000000994
    110        1          -0.000000577    0.000000572   -0.000001426
    111        1          -0.000001114    0.000001082    0.000001553
    112        1           0.000001114    0.000000749    0.000000139
    113        1          -0.000000588   -0.000002818   -0.000000306
    114        1           0.000002776    0.000001310    0.000000226
    115        1           0.000000150   -0.000001436   -0.000000219
    116        1          -0.000001136    0.000000001   -0.000002089
    117        1          -0.000001106    0.000000312    0.000001082
    118        1           0.000001085   -0.000000015    0.000000160
    119        1           0.000001758    0.000001039   -0.000001496
    120        1          -0.000000477   -0.000001693   -0.000000283
    121        1          -0.000001804    0.000001167    0.000000182
    122        1          -0.000000198   -0.000001902   -0.000000691
    123        1          -0.000001920    0.000000427    0.000000377
    124        1           0.000001445    0.000001300    0.000001427
    125        1           0.000000397    0.000001172   -0.000000367
    126       17           0.000010898    0.000002874   -0.000005922
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000059732 RMS     0.000010906

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.000036527 RMS     0.000005417
 Search for a local minimum.
 Step number  22 out of a maximum of  756
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points   13   14   15   16   17
                                                     18   19   20   21   22
 DE= -9.16D-07 DEPred=-3.24D-07 R= 2.82D+00
 Trust test= 2.82D+00 RLast= 1.15D-02 DXMaxT set to 3.00D+00
 ITU=  0  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  0
 ITU=  1  0
     Eigenvalues ---    0.00170   0.00660   0.00863   0.01047   0.01965
     Eigenvalues ---    0.02390   0.02576   0.02654   0.02674   0.02685
     Eigenvalues ---    0.02692   0.02700   0.02704   0.02705   0.02707
     Eigenvalues ---    0.02708   0.02713   0.02716   0.02719   0.02729
     Eigenvalues ---    0.02741   0.02747   0.02758   0.02761   0.02768
     Eigenvalues ---    0.02769   0.02772   0.02777   0.02786   0.02786
     Eigenvalues ---    0.02787   0.02790   0.02791   0.02792   0.02792
     Eigenvalues ---    0.02793   0.02793   0.02793   0.02795   0.02798
     Eigenvalues ---    0.02801   0.02802   0.02802   0.02803   0.02803
     Eigenvalues ---    0.02806   0.02808   0.02808   0.02809   0.02809
     Eigenvalues ---    0.02809   0.02810   0.02812   0.02817   0.02818
     Eigenvalues ---    0.02818   0.02818   0.02819   0.02819   0.02827
     Eigenvalues ---    0.02830   0.02836   0.02837   0.02844   0.02845
     Eigenvalues ---    0.02845   0.02845   0.02845   0.02845   0.02851
     Eigenvalues ---    0.02854   0.02859   0.02864   0.02868   0.02868
     Eigenvalues ---    0.02868   0.02870   0.02872   0.02872   0.02874
     Eigenvalues ---    0.02876   0.02877   0.02877   0.02877   0.02877
     Eigenvalues ---    0.02881   0.02884   0.02884   0.02885   0.02885
     Eigenvalues ---    0.02885   0.02885   0.02885   0.02885   0.02887
     Eigenvalues ---    0.02890   0.02895   0.02896   0.02896   0.02898
     Eigenvalues ---    0.02898   0.02900   0.02900   0.02901   0.02905
     Eigenvalues ---    0.02909   0.02911   0.02916   0.02937   0.02938
     Eigenvalues ---    0.02945   0.02985   0.03025   0.03026   0.03026
     Eigenvalues ---    0.03082   0.03108   0.03136   0.03136   0.03138
     Eigenvalues ---    0.03151   0.03287   0.03334   0.05430   0.10701
     Eigenvalues ---    0.15541   0.15733   0.15859   0.15949   0.15982
     Eigenvalues ---    0.15983   0.15985   0.15986   0.15988   0.15992
     Eigenvalues ---    0.15993   0.15994   0.15995   0.15996   0.15997
     Eigenvalues ---    0.15997   0.15998   0.15998   0.15998   0.15999
     Eigenvalues ---    0.15999   0.15999   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16001   0.16003
     Eigenvalues ---    0.16016   0.16031   0.16049   0.16069   0.16143
     Eigenvalues ---    0.17402   0.21746   0.21998   0.22000   0.22000
     Eigenvalues ---    0.22000   0.22000   0.22002   0.22002   0.22003
     Eigenvalues ---    0.22147   0.22381   0.22444   0.22599   0.22601
     Eigenvalues ---    0.22602   0.22602   0.22603   0.22688   0.22698
     Eigenvalues ---    0.22910   0.22966   0.22968   0.23342   0.23438
     Eigenvalues ---    0.23499   0.23830   0.23952   0.24005   0.24149
     Eigenvalues ---    0.24483   0.24484   0.24484   0.24507   0.24531
     Eigenvalues ---    0.24566   0.24680   0.24701   0.24946   0.24981
     Eigenvalues ---    0.24981   0.24982   0.24982   0.24982   0.24987
     Eigenvalues ---    0.24996   0.24998   0.24999   0.25000   0.25000
     Eigenvalues ---    0.25000   0.25001   0.25002   0.25006   0.25014
     Eigenvalues ---    0.25034   0.25082   0.25249   0.25400   0.25880
     Eigenvalues ---    0.26253   0.33248   0.33252   0.33253   0.33254
     Eigenvalues ---    0.33256   0.33257   0.33286   0.33300   0.33390
     Eigenvalues ---    0.33393   0.33396   0.33399   0.33401   0.33430
     Eigenvalues ---    0.33562   0.33567   0.33570   0.33572   0.33576
     Eigenvalues ---    0.33608   0.33614   0.33625   0.33644   0.33650
     Eigenvalues ---    0.33654   0.33672   0.33693   0.33714   0.33724
     Eigenvalues ---    0.33739   0.33813   0.33829   0.33831   0.33832
     Eigenvalues ---    0.33841   0.33848   0.33901   0.33929   0.33931
     Eigenvalues ---    0.33933   0.33937   0.33941   0.34930   0.34995
     Eigenvalues ---    0.35261   0.36016   0.44442   0.44443   0.44446
     Eigenvalues ---    0.45021   0.48155   0.48533   0.48950   0.48967
     Eigenvalues ---    0.49036   0.49318   0.49382   0.49557   0.49806
     Eigenvalues ---    0.49810   0.49828   0.49841   0.49934   0.50020
     Eigenvalues ---    0.50064   0.50404   0.50410   0.50611   0.50613
     Eigenvalues ---    0.50616   0.50884   0.51568   0.51989   0.52312
     Eigenvalues ---    0.52714   0.53173   0.53666   0.54047   0.54107
     Eigenvalues ---    0.54165   0.54201   0.54205   0.54207   0.54593
     Eigenvalues ---    0.54962   0.55062   0.55213   0.55265   0.55312
     Eigenvalues ---    0.55336   0.55349   0.55358   0.55390   0.55421
     Eigenvalues ---    0.55506   0.55603   0.55694   0.55709   0.55713
     Eigenvalues ---    0.55948   0.55951   0.56086   0.56145   0.56146
     Eigenvalues ---    0.56147   0.56160   0.56257   0.56280   0.56292
     Eigenvalues ---    0.56445   0.56661   0.56664   0.56669   0.56670
     Eigenvalues ---    0.56676   0.56720   0.56745   0.56791   0.56893
     Eigenvalues ---    0.56906   0.56910   0.57075   0.57169   0.57171
     Eigenvalues ---    0.57172   0.57182   0.57183   0.59109   0.62944
     Eigenvalues ---    0.64041   0.65970   0.66111   0.67273   0.67692
     Eigenvalues ---    0.67697   0.67706   0.68611   0.70038   0.70122
     Eigenvalues ---    0.73949   0.75918
 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF=       -3 using points:    22   21   20   19   18   17   16   15   14   13
 RFO step:  Lambda=-2.94099523D-07.
 DIIS inversion failure, remove point  10.
 DIIS inversion failure, remove point   9.
 DIIS inversion failure, remove point   8.
 RFO-DIIS uses    7 points instead of   10
 DidBck=F Rises=F RFO-DIIS coefs:    1.73323   -0.91400    0.12334    0.21438   -0.14532
                  RFO-DIIS coefs:   -0.03914    0.02749    0.00000    0.00000    0.00000
 Iteration  1 RMS(Cart)=  0.00315008 RMS(Int)=  0.00000135
 Iteration  2 RMS(Cart)=  0.00000259 RMS(Int)=  0.00000092
 Iteration  3 RMS(Cart)=  0.00000000 RMS(Int)=  0.00000092
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        2.63839   0.00000   0.00002   0.00001   0.00003   2.63842
    R2        2.66656   0.00000   0.00003  -0.00001   0.00002   2.66659
    R3        2.80165   0.00001  -0.00009   0.00006  -0.00003   2.80162
    R4        2.65883   0.00001  -0.00004   0.00005   0.00001   2.65883
    R5        2.04521  -0.00001   0.00003  -0.00007  -0.00004   2.04517
    R6        2.67241  -0.00002   0.00001  -0.00003  -0.00003   2.67238
    R7        2.78311   0.00002  -0.00007   0.00011   0.00004   2.78314
    R8        2.65967   0.00000   0.00002  -0.00000   0.00001   2.65968
    R9        2.75831  -0.00000   0.00001  -0.00003  -0.00002   2.75830
   R10        2.60945  -0.00001  -0.00002  -0.00001  -0.00004   2.60942
   R11        2.04705   0.00000  -0.00000   0.00001   0.00001   2.04705
   R12        2.05058  -0.00000   0.00001  -0.00002  -0.00001   2.05057
   R13        2.69571  -0.00001   0.00005  -0.00002   0.00004   2.69575
   R14        2.65185   0.00001  -0.00007   0.00006  -0.00001   2.65184
   R15        2.74368   0.00002  -0.00004   0.00006   0.00002   2.74371
   R16        2.66946  -0.00001  -0.00003  -0.00001  -0.00003   2.66943
   R17        2.72942  -0.00000   0.00010  -0.00003   0.00006   2.72948
   R18        2.54161  -0.00000   0.00001  -0.00002  -0.00000   2.54160
   R19        2.50458  -0.00002  -0.00002  -0.00002  -0.00004   2.50455
   R20        2.64106  -0.00000   0.00005  -0.00002   0.00004   2.64110
   R21        2.04479  -0.00001   0.00004  -0.00008  -0.00004   2.04475
   R22        2.66197  -0.00000   0.00003  -0.00001   0.00001   2.66198
   R23        2.79851   0.00000  -0.00013   0.00007  -0.00006   2.79846
   R24        2.60956  -0.00001  -0.00001  -0.00001  -0.00003   2.60953
   R25        2.04983  -0.00000   0.00001  -0.00002  -0.00001   2.04982
   R26        2.05465  -0.00001  -0.00002  -0.00000  -0.00002   2.05462
   R27        2.57878   0.00001  -0.00002   0.00000  -0.00001   2.57877
   R28        2.11411   0.00003   0.00034  -0.00009   0.00025   2.11436
   R29        5.52797   0.00001  -0.00005  -0.00020  -0.00026   5.52772
   R30        2.69574  -0.00002  -0.00006  -0.00000  -0.00006   2.69568
   R31        2.67475   0.00000   0.00005  -0.00002   0.00003   2.67478
   R32        2.55295   0.00002   0.00008  -0.00001   0.00006   2.55302
   R33        2.67556  -0.00000  -0.00002  -0.00000  -0.00002   2.67554
   R34        2.59708  -0.00001   0.00000  -0.00002  -0.00002   2.59706
   R35        2.05226  -0.00000  -0.00001   0.00000  -0.00001   2.05225
   R36        2.70423   0.00001  -0.00001   0.00003   0.00002   2.70425
   R37        2.05029  -0.00000   0.00001  -0.00001   0.00000   2.05029
   R38        2.61596  -0.00001  -0.00001   0.00000  -0.00001   2.61595
   R39        2.79932  -0.00000   0.00003  -0.00002   0.00001   2.79934
   R40        2.04864  -0.00000   0.00003  -0.00003  -0.00000   2.04864
   R41        2.65572   0.00000   0.00002  -0.00000   0.00002   2.65574
   R42        2.65580   0.00000   0.00005  -0.00001   0.00003   2.65583
   R43        2.65650   0.00000   0.00004  -0.00001   0.00003   2.65654
   R44        2.65636   0.00000   0.00005  -0.00001   0.00004   2.65640
   R45        2.65601   0.00000   0.00000  -0.00000   0.00000   2.65601
   R46        2.65623  -0.00000  -0.00002   0.00001  -0.00001   2.65622
   R47        2.62797  -0.00001  -0.00004   0.00001  -0.00003   2.62794
   R48        2.05100  -0.00000   0.00001  -0.00002  -0.00001   2.05098
   R49        2.64850  -0.00000   0.00001  -0.00000   0.00001   2.64851
   R50        2.04952   0.00000  -0.00001   0.00001   0.00000   2.04952
   R51        2.64863  -0.00000   0.00001  -0.00000   0.00001   2.64864
   R52        2.67554   0.00000  -0.00002   0.00001  -0.00001   2.67553
   R53        2.62800  -0.00001  -0.00004   0.00001  -0.00003   2.62797
   R54        2.04962   0.00000  -0.00001   0.00001   0.00000   2.04962
   R55        2.05154  -0.00000   0.00001  -0.00003  -0.00002   2.05153
   R56        2.62869  -0.00000  -0.00002   0.00001  -0.00001   2.62869
   R57        2.05143  -0.00000   0.00001  -0.00002  -0.00001   2.05142
   R58        2.64799  -0.00001  -0.00002  -0.00000  -0.00002   2.64797
   R59        2.04970   0.00000  -0.00001   0.00001   0.00000   2.04970
   R60        2.64809  -0.00001  -0.00000  -0.00001  -0.00001   2.64808
   R61        2.67648   0.00002   0.00003   0.00002   0.00005   2.67653
   R62        2.62867  -0.00000  -0.00003   0.00001  -0.00002   2.62864
   R63        2.04972   0.00000  -0.00001   0.00001   0.00001   2.04973
   R64        2.05159  -0.00000   0.00001  -0.00002  -0.00001   2.05157
   R65        2.62837  -0.00001  -0.00003   0.00000  -0.00002   2.62835
   R66        2.05123  -0.00000   0.00001  -0.00001   0.00000   2.05123
   R67        2.64822   0.00000   0.00003  -0.00001   0.00003   2.64825
   R68        2.04942   0.00000  -0.00001   0.00001   0.00000   2.04942
   R69        2.64927  -0.00000   0.00000  -0.00000  -0.00000   2.64926
   R70        2.67444   0.00001  -0.00002   0.00002   0.00001   2.67445
   R71        2.62724  -0.00000  -0.00000  -0.00000  -0.00000   2.62724
   R72        2.04950   0.00000  -0.00001   0.00001   0.00000   2.04950
   R73        2.05132  -0.00000   0.00002  -0.00003  -0.00001   2.05131
   R74        2.64956   0.00002  -0.00004   0.00006   0.00002   2.64958
   R75        2.64968   0.00002  -0.00005   0.00007   0.00002   2.64970
   R76        2.65071   0.00004   0.00000   0.00007   0.00007   2.65078
   R77        2.64958   0.00004  -0.00000   0.00007   0.00007   2.64965
   R78        2.65054   0.00003   0.00001   0.00005   0.00006   2.65060
   R79        2.65111   0.00003   0.00002   0.00005   0.00007   2.65118
   R80        2.67871  -0.00001   0.00001  -0.00002  -0.00002   2.67869
   R81        2.64086  -0.00000   0.00000  -0.00000  -0.00000   2.64086
   R82        2.73673   0.00001  -0.00000   0.00001   0.00001   2.73674
   R83        2.64470  -0.00000   0.00000  -0.00000   0.00000   2.64470
   R84        2.67914  -0.00001   0.00000  -0.00002  -0.00002   2.67912
   R85        2.64448  -0.00000   0.00001  -0.00000   0.00000   2.64448
   R86        2.64094  -0.00000   0.00000  -0.00000  -0.00000   2.64094
   R87        2.67904  -0.00001   0.00002  -0.00002  -0.00001   2.67903
   R88        2.64086  -0.00001   0.00000  -0.00001  -0.00001   2.64085
   R89        2.73672   0.00001  -0.00000   0.00001   0.00001   2.73673
   R90        2.64464  -0.00000   0.00001  -0.00001   0.00000   2.64465
   R91        2.67902  -0.00001   0.00001  -0.00002  -0.00001   2.67901
   R92        2.64466  -0.00000   0.00001  -0.00000   0.00001   2.64467
   R93        2.64086  -0.00000  -0.00000  -0.00000  -0.00001   2.64086
   R94        2.67881  -0.00001   0.00000  -0.00002  -0.00002   2.67879
   R95        2.64083  -0.00000   0.00001  -0.00001   0.00000   2.64084
   R96        2.73683   0.00001   0.00000   0.00001   0.00001   2.73684
   R97        2.64448  -0.00000   0.00000  -0.00000   0.00000   2.64448
   R98        2.67860  -0.00001   0.00000  -0.00002  -0.00002   2.67858
   R99        2.64458  -0.00000   0.00000  -0.00000   0.00000   2.64458
   R100       2.64080  -0.00000   0.00001  -0.00001  -0.00000   2.64080
   R101       2.62985   0.00000  -0.00002   0.00002  -0.00001   2.62984
   R102       2.05260   0.00000  -0.00000   0.00000   0.00000   2.05260
   R103       2.65471  -0.00001   0.00001  -0.00001  -0.00000   2.65470
   R104       2.05138   0.00000   0.00000   0.00000   0.00000   2.05138
   R105       2.63303   0.00000  -0.00001   0.00001   0.00000   2.63303
   R106       2.05227   0.00000  -0.00000   0.00000   0.00000   2.05227
   R107       2.04880  -0.00000  -0.00000   0.00000  -0.00000   2.04880
   R108       2.63283   0.00000  -0.00001   0.00001   0.00001   2.63284
   R109       2.04869  -0.00000  -0.00001   0.00000  -0.00000   2.04869
   R110       2.65492  -0.00001   0.00000  -0.00001  -0.00001   2.65492
   R111       2.05206   0.00000  -0.00000   0.00000   0.00000   2.05206
   R112       2.62954   0.00000  -0.00002   0.00002  -0.00001   2.62954
   R113       2.05134   0.00000   0.00000  -0.00000   0.00000   2.05135
   R114       2.05262   0.00000  -0.00000   0.00000   0.00000   2.05262
   R115       2.62967   0.00000  -0.00002   0.00002  -0.00001   2.62967
   R116       2.05259   0.00000  -0.00000   0.00000   0.00000   2.05260
   R117       2.65490  -0.00001   0.00001  -0.00001   0.00000   2.65491
   R118       2.05135   0.00000   0.00000   0.00000   0.00000   2.05135
   R119       2.63290   0.00000  -0.00001   0.00001   0.00000   2.63290
   R120       2.05219   0.00000  -0.00000   0.00000   0.00000   2.05219
   R121       2.04883   0.00000   0.00000  -0.00000   0.00000   2.04883
   R122       2.63293   0.00000  -0.00001   0.00001   0.00000   2.63293
   R123       2.04884   0.00000  -0.00000   0.00001   0.00000   2.04885
   R124       2.65488  -0.00000   0.00001  -0.00001   0.00000   2.65489
   R125       2.05221   0.00000  -0.00000   0.00000   0.00000   2.05221
   R126       2.62970   0.00000  -0.00002   0.00002  -0.00001   2.62970
   R127       2.05133   0.00000   0.00000  -0.00000   0.00000   2.05133
   R128       2.05259   0.00000  -0.00000   0.00000   0.00000   2.05259
   R129       2.62963   0.00000  -0.00003   0.00002  -0.00001   2.62962
   R130       2.05257   0.00000   0.00000   0.00000   0.00000   2.05258
   R131       2.65473  -0.00001   0.00000  -0.00001  -0.00000   2.65473
   R132       2.05132   0.00000   0.00000   0.00000   0.00000   2.05132
   R133       2.63296   0.00000  -0.00001   0.00001   0.00000   2.63296
   R134       2.05208   0.00000  -0.00000   0.00001   0.00000   2.05208
   R135       2.04869   0.00000   0.00000  -0.00001  -0.00000   2.04869
   R136       2.63306  -0.00000  -0.00001   0.00001  -0.00000   2.63306
   R137       2.04874   0.00000  -0.00000   0.00000   0.00000   2.04874
   R138       2.65464  -0.00000   0.00000  -0.00001  -0.00000   2.65464
   R139       2.05218   0.00000  -0.00000   0.00001   0.00000   2.05218
   R140       2.62978   0.00000  -0.00003   0.00002  -0.00001   2.62977
   R141       2.05135   0.00000   0.00000   0.00000   0.00000   2.05135
   R142       2.05257   0.00000  -0.00000   0.00000   0.00000   2.05257
   R143       3.43435  -0.00001  -0.00059   0.00011  -0.00048   3.43388
    A1        2.06433  -0.00001  -0.00006  -0.00000  -0.00006   2.06426
    A2        2.10887   0.00000   0.00002   0.00002   0.00004   2.10891
    A3        2.10999   0.00000   0.00004  -0.00001   0.00003   2.11001
    A4        2.13789   0.00000   0.00001   0.00005   0.00005   2.13794
    A5        2.05392  -0.00000   0.00005  -0.00006  -0.00001   2.05391
    A6        2.09095  -0.00000  -0.00007   0.00002  -0.00005   2.09090
    A7        2.05878  -0.00000   0.00006  -0.00009  -0.00003   2.05876
    A8        2.13523   0.00001  -0.00006   0.00011   0.00005   2.13528
    A9        2.08913  -0.00000   0.00000  -0.00003  -0.00002   2.08910
   A10        2.09122   0.00000  -0.00007   0.00007  -0.00000   2.09122
   A11        2.10003   0.00000   0.00002   0.00001   0.00003   2.10006
   A12        2.09194  -0.00001   0.00005  -0.00008  -0.00003   2.09191
   A13        2.11090   0.00000   0.00002  -0.00000   0.00002   2.11092
   A14        2.06333  -0.00000  -0.00003  -0.00001  -0.00004   2.06329
   A15        2.10889   0.00000   0.00002   0.00001   0.00003   2.10892
   A16        2.10324   0.00000   0.00004  -0.00002   0.00002   2.10326
   A17        2.08983   0.00000   0.00000   0.00001   0.00001   2.08984
   A18        2.08976  -0.00000  -0.00004   0.00001  -0.00003   2.08973
   A19        2.10654   0.00000   0.00000   0.00000   0.00000   2.10654
   A20        2.11602  -0.00000  -0.00004   0.00005   0.00000   2.11602
   A21        2.06059   0.00000   0.00004  -0.00005  -0.00000   2.06059
   A22        2.08062  -0.00000   0.00003   0.00000   0.00004   2.08065
   A23        2.08036  -0.00001  -0.00008   0.00002  -0.00007   2.08029
   A24        2.12220   0.00001   0.00005  -0.00002   0.00003   2.12224
   A25        2.10288  -0.00001  -0.00003  -0.00004  -0.00007   2.10281
   A26        2.13596   0.00001   0.00002   0.00008   0.00010   2.13606
   A27        2.04434  -0.00000   0.00001  -0.00004  -0.00003   2.04431
   A28        2.08712   0.00001  -0.00001   0.00005   0.00003   2.08715
   A29        2.06454  -0.00002   0.00007  -0.00017  -0.00009   2.06445
   A30        2.13153   0.00001  -0.00006   0.00012   0.00006   2.13159
   A31        2.14314   0.00001   0.00005   0.00003   0.00008   2.14322
   A32        2.08527  -0.00000  -0.00009   0.00001  -0.00008   2.08519
   A33        2.05431  -0.00000   0.00003  -0.00004  -0.00001   2.05430
   A34        2.05971  -0.00001  -0.00010  -0.00002  -0.00012   2.05959
   A35        2.11012   0.00001   0.00002   0.00006   0.00008   2.11020
   A36        2.11335  -0.00000   0.00008  -0.00004   0.00004   2.11339
   A37        2.11105   0.00001   0.00004   0.00001   0.00005   2.11109
   A38        2.09661  -0.00000   0.00002   0.00000   0.00002   2.09663
   A39        2.07517  -0.00001  -0.00006  -0.00001  -0.00007   2.07510
   A40        2.11150   0.00001   0.00005   0.00001   0.00006   2.11156
   A41        2.10675  -0.00000  -0.00002  -0.00000  -0.00002   2.10672
   A42        2.06492  -0.00000  -0.00003  -0.00001  -0.00004   2.06488
   A43        2.13411  -0.00000   0.00002  -0.00005  -0.00004   2.13408
   A44        2.16671   0.00000   0.00011  -0.00013  -0.00003   2.16668
   A45        2.27625   0.00003  -0.00038   0.00043   0.00004   2.27628
   A46        1.98230   0.00000  -0.00010   0.00018   0.00007   1.98237
   A47        1.87271  -0.00003   0.00041  -0.00039   0.00001   1.87272
   A48        2.06187   0.00001   0.00000   0.00007   0.00008   2.06195
   A49        2.12427   0.00000   0.00004  -0.00009  -0.00005   2.12422
   A50        2.09705  -0.00001  -0.00004   0.00002  -0.00003   2.09702
   A51        2.10957  -0.00000   0.00000  -0.00002  -0.00002   2.10955
   A52        2.08224   0.00001   0.00002   0.00003   0.00005   2.08229
   A53        2.09132  -0.00001  -0.00001  -0.00001  -0.00002   2.09130
   A54        2.08487  -0.00001   0.00003  -0.00008  -0.00004   2.08483
   A55        2.07116   0.00000   0.00006  -0.00004   0.00002   2.07118
   A56        2.07364   0.00000  -0.00004   0.00005   0.00001   2.07365
   A57        2.13834  -0.00000  -0.00002  -0.00002  -0.00003   2.13830
   A58        2.14012  -0.00000  -0.00006   0.00003  -0.00003   2.14009
   A59        2.07065   0.00001   0.00008  -0.00001   0.00007   2.07072
   A60        2.07207  -0.00001  -0.00002  -0.00002  -0.00005   2.07203
   A61        2.06611  -0.00000   0.00002  -0.00000   0.00001   2.06613
   A62        2.09967  -0.00001   0.00002  -0.00005  -0.00004   2.09963
   A63        2.11741   0.00001  -0.00003   0.00005   0.00002   2.11743
   A64        2.10968  -0.00000   0.00001  -0.00004  -0.00003   2.10966
   A65        2.04704   0.00000   0.00004   0.00000   0.00004   2.04708
   A66        2.12608   0.00000  -0.00005   0.00004  -0.00001   2.12607
   A67        2.11140   0.00000   0.00003   0.00000   0.00003   2.11143
   A68        2.11561   0.00000   0.00002   0.00001   0.00002   2.11563
   A69        2.05618  -0.00000  -0.00005  -0.00001  -0.00005   2.05612
   A70        2.10966   0.00000   0.00006  -0.00002   0.00004   2.10970
   A71        2.11673   0.00001   0.00002   0.00004   0.00006   2.11679
   A72        2.05679  -0.00001  -0.00008  -0.00002  -0.00010   2.05669
   A73        2.11397  -0.00001   0.00001  -0.00004  -0.00003   2.11394
   A74        2.11214   0.00000  -0.00005   0.00005   0.00001   2.11215
   A75        2.05707   0.00000   0.00004  -0.00002   0.00002   2.05709
   A76        2.11606   0.00001   0.00004   0.00002   0.00006   2.11612
   A77        2.08800  -0.00000   0.00001  -0.00001  -0.00000   2.08800
   A78        2.07824  -0.00000  -0.00005  -0.00001  -0.00006   2.07818
   A79        2.09893  -0.00000   0.00001  -0.00001   0.00000   2.09893
   A80        2.09836   0.00000   0.00001   0.00001   0.00002   2.09837
   A81        2.08568  -0.00000  -0.00002   0.00000  -0.00002   2.08566
   A82        2.07935   0.00000  -0.00003   0.00001  -0.00002   2.07933
   A83        2.10238  -0.00000   0.00001  -0.00000   0.00000   2.10238
   A84        2.10145   0.00000   0.00002  -0.00000   0.00002   2.10147
   A85        2.09829  -0.00000   0.00001  -0.00001  -0.00000   2.09829
   A86        2.08509  -0.00000  -0.00002   0.00001  -0.00001   2.08508
   A87        2.09948   0.00000   0.00001   0.00001   0.00001   2.09950
   A88        2.11671   0.00001   0.00004   0.00002   0.00006   2.11678
   A89        2.08781  -0.00000  -0.00000   0.00001   0.00000   2.08781
   A90        2.07753  -0.00001  -0.00004  -0.00003  -0.00007   2.07746
   A91        2.11679   0.00000   0.00002   0.00001   0.00003   2.11682
   A92        2.08741  -0.00000   0.00001  -0.00001  -0.00000   2.08740
   A93        2.07807   0.00000  -0.00004   0.00001  -0.00003   2.07804
   A94        2.09865  -0.00000  -0.00000  -0.00002  -0.00002   2.09863
   A95        2.09921   0.00001   0.00002   0.00002   0.00004   2.09924
   A96        2.08509  -0.00000  -0.00002  -0.00000  -0.00002   2.08507
   A97        2.07914   0.00001   0.00001   0.00002   0.00003   2.07916
   A98        2.10213  -0.00000  -0.00001   0.00001  -0.00000   2.10212
   A99        2.10192  -0.00001   0.00000  -0.00003  -0.00002   2.10190
   A100       2.09851  -0.00000  -0.00000  -0.00001  -0.00002   2.09849
   A101       2.08500  -0.00000  -0.00002  -0.00000  -0.00002   2.08498
   A102       2.09938   0.00000   0.00002   0.00002   0.00004   2.09943
   A103       2.11693   0.00000   0.00002   0.00001   0.00004   2.11696
   A104       2.08698  -0.00000  -0.00000  -0.00001  -0.00001   2.08696
   A105       2.07826  -0.00000  -0.00002  -0.00000  -0.00002   2.07824
   A106       2.11593   0.00000  -0.00002   0.00001  -0.00001   2.11592
   A107       2.09091  -0.00000  -0.00003  -0.00003  -0.00005   2.09086
   A108       2.07536   0.00000   0.00004   0.00002   0.00006   2.07542
   A109       2.09905  -0.00000  -0.00000  -0.00001  -0.00002   2.09903
   A110       2.09813   0.00000   0.00003   0.00001   0.00004   2.09817
   A111       2.08578  -0.00000  -0.00003  -0.00000  -0.00003   2.08575
   A112       2.07890   0.00000   0.00001   0.00002   0.00002   2.07892
   A113       2.10253  -0.00000  -0.00002   0.00001  -0.00002   2.10251
   A114       2.10175  -0.00000   0.00002  -0.00002  -0.00001   2.10175
   A115       2.09870  -0.00000  -0.00000  -0.00002  -0.00002   2.09868
   A116       2.08529  -0.00000   0.00000  -0.00001  -0.00001   2.08528
   A117       2.09887   0.00001   0.00000   0.00003   0.00003   2.09890
   A118       2.11652   0.00000  -0.00002   0.00002  -0.00000   2.11652
   A119       2.08697  -0.00000  -0.00003  -0.00001  -0.00004   2.08693
   A120       2.07872   0.00000   0.00005  -0.00000   0.00004   2.07877
   A121       2.19605   0.00000  -0.00000   0.00000  -0.00000   2.19605
   A122       2.19639   0.00001  -0.00002   0.00003   0.00001   2.19639
   A123       1.89075  -0.00001   0.00002  -0.00003  -0.00001   1.89074
   A124       2.19641   0.00001   0.00001   0.00001   0.00001   2.19643
   A125       2.19613   0.00001  -0.00001   0.00002   0.00001   2.19614
   A126       1.89064  -0.00001  -0.00000  -0.00003  -0.00003   1.89061
   A127       2.19595   0.00001   0.00002   0.00000   0.00002   2.19597
   A128       2.19664   0.00001  -0.00001   0.00002   0.00001   2.19665
   A129       1.89060  -0.00001  -0.00001  -0.00002  -0.00003   1.89057
   A130       1.90071  -0.00000  -0.00000   0.00000   0.00000   1.90071
   A131       2.26056  -0.00000   0.00001  -0.00002  -0.00001   2.26055
   A132       2.12132   0.00001  -0.00001   0.00002   0.00001   2.12133
   A133       1.86632   0.00001   0.00000   0.00001   0.00001   1.86634
   A134       2.08687  -0.00000  -0.00000   0.00000  -0.00000   2.08687
   A135       2.32992  -0.00001  -0.00000  -0.00001  -0.00002   2.32990
   A136       1.86620   0.00001  -0.00000   0.00001   0.00001   1.86621
   A137       2.33012  -0.00001   0.00000  -0.00002  -0.00001   2.33010
   A138       2.08679  -0.00000  -0.00000   0.00000  -0.00000   2.08679
   A139       1.90090  -0.00000   0.00000  -0.00000   0.00000   1.90090
   A140       2.26091  -0.00000  -0.00000  -0.00002  -0.00002   2.26089
   A141       2.12077   0.00001  -0.00001   0.00001   0.00001   2.12078
   A142       1.90092  -0.00000  -0.00000   0.00000   0.00000   1.90092
   A143       2.26057  -0.00001  -0.00000  -0.00003  -0.00003   2.26053
   A144       2.12112   0.00001   0.00001   0.00002   0.00003   2.12115
   A145       1.86609   0.00001  -0.00001   0.00001   0.00000   1.86610
   A146       2.08669  -0.00000  -0.00002  -0.00000  -0.00002   2.08667
   A147       2.33033  -0.00000   0.00002  -0.00001   0.00001   2.33034
   A148       1.86614   0.00000  -0.00001   0.00001   0.00000   1.86615
   A149       2.33027  -0.00000   0.00002  -0.00001   0.00001   2.33028
   A150       2.08670  -0.00000  -0.00002   0.00000  -0.00002   2.08669
   A151       1.90086  -0.00000  -0.00000  -0.00000  -0.00000   1.90086
   A152       2.26052  -0.00001  -0.00001  -0.00002  -0.00003   2.26050
   A153       2.12123   0.00001   0.00001   0.00001   0.00003   2.12125
   A154       1.90067  -0.00000   0.00000   0.00000   0.00000   1.90067
   A155       2.26092  -0.00000   0.00001  -0.00002  -0.00002   2.26090
   A156       2.12097   0.00000  -0.00002   0.00002   0.00000   2.12097
   A157       1.86644   0.00001  -0.00000   0.00001   0.00001   1.86645
   A158       2.08686  -0.00000   0.00000  -0.00000   0.00000   2.08687
   A159       2.32981  -0.00001  -0.00001  -0.00001  -0.00002   2.32979
   A160       1.86650   0.00001   0.00000   0.00001   0.00001   1.86652
   A161       2.32967  -0.00001  -0.00001  -0.00001  -0.00002   2.32965
   A162       2.08694  -0.00000   0.00000  -0.00000   0.00000   2.08694
   A163       1.90057  -0.00000  -0.00000   0.00000   0.00000   1.90057
   A164       2.26088  -0.00000   0.00001  -0.00002  -0.00001   2.26087
   A165       2.12112   0.00001  -0.00001   0.00002   0.00000   2.12112
   A166       2.07993  -0.00000   0.00001  -0.00001  -0.00000   2.07993
   A167       2.10006   0.00000  -0.00003   0.00002  -0.00001   2.10005
   A168       2.10318  -0.00000   0.00002  -0.00001   0.00001   2.10319
   A169       2.10384   0.00000   0.00000   0.00000   0.00000   2.10384
   A170       2.09195  -0.00000   0.00002  -0.00002   0.00000   2.09195
   A171       2.08738   0.00000  -0.00002   0.00002  -0.00000   2.08737
   A172       2.11958  -0.00000  -0.00000   0.00000  -0.00000   2.11958
   A173       2.08524   0.00000  -0.00001   0.00001   0.00000   2.08524
   A174       2.07835  -0.00000   0.00001  -0.00001  -0.00000   2.07835
   A175       2.05526  -0.00000   0.00001  -0.00001  -0.00001   2.05525
   A176       2.11816  -0.00000  -0.00001   0.00001  -0.00001   2.11815
   A177       2.10974   0.00000   0.00001   0.00000   0.00001   2.10975
   A178       2.05461  -0.00000   0.00001  -0.00001  -0.00001   2.05460
   A179       2.11942  -0.00000  -0.00001   0.00001  -0.00000   2.11941
   A180       2.10913   0.00000   0.00001   0.00001   0.00001   2.10914
   A181       2.11984  -0.00000  -0.00000   0.00000  -0.00000   2.11984
   A182       2.07781  -0.00000   0.00001  -0.00001  -0.00000   2.07780
   A183       2.08553   0.00000  -0.00001   0.00001   0.00000   2.08553
   A184       2.10406   0.00000  -0.00000   0.00000   0.00000   2.10407
   A185       2.08715   0.00000  -0.00002   0.00002  -0.00000   2.08714
   A186       2.09196  -0.00000   0.00002  -0.00002   0.00000   2.09196
   A187       2.07947  -0.00000   0.00001  -0.00001  -0.00000   2.07947
   A188       2.10028   0.00000  -0.00003   0.00002  -0.00001   2.10028
   A189       2.10342  -0.00000   0.00002  -0.00001   0.00001   2.10343
   A190       2.07969  -0.00000   0.00001  -0.00001  -0.00000   2.07969
   A191       2.10022   0.00000  -0.00003   0.00002  -0.00001   2.10022
   A192       2.10326  -0.00000   0.00002  -0.00001   0.00001   2.10326
   A193       2.10400   0.00000   0.00001   0.00000   0.00001   2.10401
   A194       2.09191  -0.00000   0.00002  -0.00002   0.00000   2.09191
   A195       2.08726   0.00000  -0.00003   0.00001  -0.00001   2.08725
   A196       2.11973  -0.00000  -0.00000  -0.00000  -0.00000   2.11973
   A197       2.08526   0.00000  -0.00001   0.00001  -0.00000   2.08526
   A198       2.07819   0.00000   0.00001  -0.00001   0.00000   2.07819
   A199       2.05483  -0.00000  -0.00000  -0.00001  -0.00001   2.05481
   A200       2.11851  -0.00000  -0.00003   0.00001  -0.00002   2.11849
   A201       2.10982   0.00000   0.00003   0.00000   0.00004   2.10985
   A202       2.05499  -0.00000   0.00000  -0.00002  -0.00002   2.05497
   A203       2.11822  -0.00000  -0.00003   0.00001  -0.00002   2.11820
   A204       2.10995   0.00000   0.00003   0.00001   0.00004   2.10999
   A205       2.11964  -0.00000  -0.00000   0.00000  -0.00000   2.11963
   A206       2.07838   0.00000   0.00002  -0.00001   0.00000   2.07838
   A207       2.08516   0.00000  -0.00001   0.00001   0.00000   2.08516
   A208       2.10398   0.00000   0.00000   0.00001   0.00001   2.10400
   A209       2.08724   0.00000  -0.00003   0.00001  -0.00001   2.08723
   A210       2.09195  -0.00000   0.00002  -0.00002   0.00000   2.09195
   A211       2.07977  -0.00000   0.00001  -0.00001  -0.00000   2.07977
   A212       2.10020   0.00000  -0.00003   0.00002  -0.00001   2.10020
   A213       2.10320  -0.00000   0.00002  -0.00001   0.00001   2.10321
   A214       2.07956  -0.00000   0.00000  -0.00001  -0.00000   2.07956
   A215       2.10023   0.00000  -0.00003   0.00002  -0.00001   2.10023
   A216       2.10338  -0.00000   0.00002  -0.00001   0.00001   2.10339
   A217       2.10399   0.00000   0.00000  -0.00000   0.00000   2.10399
   A218       2.09198  -0.00000   0.00001  -0.00002  -0.00000   2.09198
   A219       2.08721   0.00000  -0.00002   0.00002  -0.00000   2.08721
   A220       2.11975  -0.00000  -0.00000   0.00000   0.00000   2.11975
   A221       2.08550   0.00000  -0.00001   0.00001   0.00000   2.08551
   A222       2.07793  -0.00000   0.00001  -0.00001  -0.00000   2.07792
   A223       2.05481  -0.00000   0.00001  -0.00001  -0.00001   2.05481
   A224       2.11942  -0.00000  -0.00001   0.00000  -0.00001   2.11941
   A225       2.10893   0.00000   0.00000   0.00001   0.00001   2.10894
   A226       2.05502  -0.00000   0.00001  -0.00002  -0.00001   2.05501
   A227       2.11890  -0.00000  -0.00002   0.00001  -0.00001   2.11889
   A228       2.10924   0.00000   0.00000   0.00001   0.00001   2.10925
   A229       2.11966  -0.00000  -0.00001   0.00001  -0.00000   2.11966
   A230       2.07812  -0.00000   0.00001  -0.00002  -0.00000   2.07812
   A231       2.08540   0.00000  -0.00001   0.00001   0.00000   2.08541
   A232       2.10391   0.00000   0.00000  -0.00000   0.00000   2.10391
   A233       2.08735   0.00000  -0.00002   0.00002  -0.00000   2.08735
   A234       2.09191  -0.00000   0.00001  -0.00002  -0.00000   2.09191
   A235       2.07975  -0.00000   0.00001  -0.00001  -0.00000   2.07975
   A236       2.10015   0.00000  -0.00002   0.00002  -0.00001   2.10014
   A237       2.10327  -0.00000   0.00002  -0.00001   0.00001   2.10328
    D1       -0.00515   0.00000  -0.00002  -0.00001  -0.00003  -0.00518
    D2        3.10494  -0.00000  -0.00032   0.00001  -0.00031   3.10463
    D3        3.13839   0.00000   0.00000  -0.00001  -0.00000   3.13839
    D4       -0.03470  -0.00000  -0.00029   0.00001  -0.00028  -0.03499
    D5        0.00096  -0.00000  -0.00018  -0.00006  -0.00025   0.00071
    D6        3.11352  -0.00000  -0.00007  -0.00013  -0.00020   3.11333
    D7        3.14060  -0.00000  -0.00021  -0.00006  -0.00027   3.14033
    D8       -0.03002  -0.00000  -0.00010  -0.00013  -0.00022  -0.03024
    D9        2.49502   0.00001   0.00096  -0.00004   0.00092   2.49593
   D10       -0.64748   0.00001   0.00096  -0.00005   0.00091  -0.64657
   D11       -0.64458   0.00001   0.00099  -0.00004   0.00094  -0.64363
   D12        2.49611   0.00001   0.00099  -0.00005   0.00094   2.49705
   D13        0.00599   0.00000   0.00026   0.00011   0.00037   0.00637
   D14        3.13745   0.00000   0.00026   0.00015   0.00041   3.13786
   D15       -3.10345   0.00001   0.00057   0.00009   0.00066  -3.10279
   D16        0.02801   0.00001   0.00056   0.00014   0.00070   0.02871
   D17       -0.00269  -0.00001  -0.00030  -0.00014  -0.00044  -0.00314
   D18        3.13959  -0.00001  -0.00057  -0.00015  -0.00072   3.13887
   D19       -3.13443  -0.00001  -0.00030  -0.00018  -0.00048  -3.13491
   D20        0.00786  -0.00001  -0.00057  -0.00019  -0.00076   0.00710
   D21       -3.14091   0.00001   0.00095   0.00019   0.00114  -3.13977
   D22        0.00905   0.00001   0.00101   0.00027   0.00127   0.01032
   D23       -0.00963   0.00001   0.00095   0.00023   0.00118  -0.00844
   D24        3.14033   0.00001   0.00100   0.00031   0.00132  -3.14154
   D25       -0.00127   0.00000   0.00011   0.00007   0.00018  -0.00109
   D26       -3.13149   0.00000   0.00008   0.00005   0.00013  -3.13136
   D27        3.13963   0.00000   0.00038   0.00008   0.00046   3.14009
   D28        0.00941   0.00000   0.00034   0.00007   0.00041   0.00982
   D29        0.00123   0.00000  -0.00032   0.00004  -0.00028   0.00095
   D30       -3.14035  -0.00000  -0.00014  -0.00001  -0.00015  -3.14049
   D31       -3.13967  -0.00000  -0.00058   0.00003  -0.00056  -3.14022
   D32        0.00194  -0.00000  -0.00040  -0.00002  -0.00042   0.00152
   D33        0.00218   0.00000   0.00014   0.00003   0.00017   0.00235
   D34       -3.11039   0.00000   0.00002   0.00009   0.00012  -3.11027
   D35        3.13210   0.00000   0.00017   0.00005   0.00022   3.13232
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   D258      -0.01381  -0.00000   0.00003  -0.00006  -0.00002  -0.01383
   D259       0.01870   0.00000  -0.00007   0.00007   0.00000   0.01870
   D260      -3.11472   0.00000  -0.00000   0.00005   0.00005  -3.11467
   D261      -0.00281  -0.00000   0.00003  -0.00002   0.00001  -0.00280
   D262       3.12546  -0.00000  -0.00008   0.00000  -0.00008   3.12538
   D263       3.12528  -0.00000  -0.00009   0.00001  -0.00008   3.12520
   D264      -0.02963  -0.00000  -0.00020   0.00003  -0.00017  -0.02979
   D265       0.00624   0.00000  -0.00007   0.00004  -0.00003   0.00621
   D266      -3.14090  -0.00000  -0.00001  -0.00000  -0.00001  -3.14092
   D267      -3.12051   0.00000   0.00006   0.00001   0.00006  -3.12044
   D268       0.01554   0.00000   0.00012  -0.00004   0.00008   0.01562
   D269       0.00234   0.00000  -0.00002   0.00001  -0.00001   0.00233
   D270       3.11085  -0.00000   0.00002  -0.00008  -0.00006   3.11078
   D271      -3.12815   0.00000   0.00007  -0.00001   0.00006  -3.12809
   D272      -0.01964  -0.00000   0.00011  -0.00010   0.00001  -0.01963
   D273      -3.12079   0.00000   0.00005   0.00002   0.00007  -3.12073
   D274       0.01537   0.00000   0.00012  -0.00003   0.00009   0.01545
   D275       0.00615   0.00000  -0.00007   0.00005  -0.00003   0.00612
   D276      -3.14088  -0.00000  -0.00000  -0.00001  -0.00001  -3.14088
   D277       3.11981  -0.00000  -0.00004  -0.00002  -0.00005   3.11976
   D278      -0.01371  -0.00000   0.00003  -0.00004  -0.00001  -0.01372
   D279       0.01880   0.00000  -0.00008   0.00008   0.00001   0.01881
   D280      -3.11472   0.00000  -0.00001   0.00006   0.00005  -3.11467
   D281      -0.00245  -0.00000   0.00002  -0.00001   0.00000  -0.00245
   D282       3.12756  -0.00000  -0.00022   0.00000  -0.00022   3.12734
   D283      -3.10931   0.00000   0.00017   0.00005   0.00023  -3.10908
   D284       0.02070   0.00000  -0.00006   0.00007   0.00001   0.02070
   D285      -3.11888   0.00000   0.00019   0.00002   0.00021  -3.11866
   D286       0.01389   0.00000   0.00012   0.00004   0.00016   0.01405
   D287      -0.01990  -0.00000  -0.00000  -0.00006  -0.00006  -0.01996
   D288       3.11286  -0.00000  -0.00007  -0.00004  -0.00011   3.11275
   D289       0.00296   0.00000  -0.00004   0.00002  -0.00002   0.00294
   D290      -3.12501   0.00000   0.00026  -0.00001   0.00025  -3.12476
   D291      -3.12474   0.00000   0.00025  -0.00000   0.00024  -3.12450
   D292       0.03047   0.00001   0.00055  -0.00003   0.00051   0.03098
   D293      -0.00639   0.00000   0.00010  -0.00003   0.00007  -0.00632
   D294       3.14098   0.00000   0.00003   0.00000   0.00003   3.14102
   D295       3.11993  -0.00000  -0.00021  -0.00001  -0.00023   3.11970
   D296      -0.01588  -0.00000  -0.00028   0.00002  -0.00026  -0.01614
   D297      -0.00241   0.00000   0.00005  -0.00001   0.00003  -0.00238
   D298      -3.10951   0.00000   0.00020   0.00004   0.00024  -3.10927
   D299       3.12782  -0.00000  -0.00021   0.00001  -0.00019   3.12763
   D300       0.02073   0.00000  -0.00005   0.00006   0.00001   0.02074
   D301       3.12023  -0.00000  -0.00024   0.00000  -0.00024   3.11999
   D302      -0.01580  -0.00000  -0.00031   0.00004  -0.00027  -0.01608
   D303      -0.00638   0.00000   0.00009  -0.00003   0.00006  -0.00632
   D304       3.14077   0.00000   0.00002   0.00001   0.00002   3.14079
   D305      -3.11923   0.00000   0.00018   0.00001   0.00019  -3.11904
   D306       0.01398   0.00000   0.00011   0.00003   0.00014   0.01413
   D307      -0.01996  -0.00000  -0.00000  -0.00006  -0.00006  -0.02002
   D308       3.11325  -0.00000  -0.00008  -0.00003  -0.00011   3.11314
   D309       0.00756   0.00000   0.00005   0.00001   0.00006   0.00763
   D310      -3.14037   0.00000  -0.00003   0.00005   0.00001  -3.14036
   D311      -3.12823   0.00000  -0.00002   0.00007   0.00005  -3.12818
   D312       0.00702   0.00000  -0.00010   0.00010   0.00000   0.00702
   D313      -0.00831  -0.00000  -0.00001  -0.00002  -0.00003  -0.00834
   D314       3.12916  -0.00000   0.00005  -0.00004   0.00001   3.12917
   D315       3.13961  -0.00000   0.00007  -0.00005   0.00002   3.13962
   D316      -0.00611  -0.00000   0.00013  -0.00008   0.00006  -0.00605
   D317      -0.00517  -0.00000   0.00000  -0.00003  -0.00003  -0.00520
   D318       3.12775  -0.00000  -0.00009  -0.00001  -0.00009   3.12766
   D319       3.14052  -0.00000  -0.00006  -0.00001  -0.00007   3.14045
   D320      -0.00973  -0.00000  -0.00015   0.00002  -0.00013  -0.00987
   D321      -0.00543  -0.00000   0.00000  -0.00003  -0.00003  -0.00545
   D322       3.13958  -0.00000  -0.00007   0.00001  -0.00006   3.13952
   D323       3.12826  -0.00000  -0.00008  -0.00001  -0.00009   3.12817
   D324      -0.00992  -0.00000  -0.00015   0.00003  -0.00012  -0.01004
   D325      -0.00812  -0.00000  -0.00001  -0.00002  -0.00004  -0.00816
   D326       3.13927  -0.00000   0.00006  -0.00005   0.00001   3.13929
   D327       3.13004  -0.00000   0.00006  -0.00006  -0.00000   3.13004
   D328      -0.00575  -0.00000   0.00013  -0.00008   0.00005  -0.00570
   D329       0.00760   0.00000   0.00005   0.00001   0.00006   0.00766
   D330      -3.12861   0.00000  -0.00002   0.00007   0.00005  -3.12857
   D331      -3.13982   0.00000  -0.00003   0.00004   0.00001  -3.13981
   D332       0.00716   0.00000  -0.00009   0.00009  -0.00000   0.00716
   D333       0.00728   0.00000   0.00002   0.00001   0.00003   0.00730
   D334      -3.14015   0.00000  -0.00004   0.00004   0.00000  -3.14015
   D335      -3.12887   0.00000  -0.00006   0.00007   0.00001  -3.12886
   D336       0.00688   0.00000  -0.00011   0.00010  -0.00002   0.00687
   D337      -0.00796  -0.00000   0.00001  -0.00002  -0.00001  -0.00798
   D338       3.13003  -0.00000   0.00008  -0.00005   0.00003   3.13007
   D339       3.13945  -0.00000   0.00007  -0.00005   0.00001   3.13946
   D340      -0.00574  -0.00000   0.00014  -0.00008   0.00006  -0.00568
   D341      -0.00507  -0.00000   0.00002  -0.00002  -0.00000  -0.00507
   D342       3.12850  -0.00000  -0.00004  -0.00000  -0.00005   3.12845
   D343       3.14011  -0.00000  -0.00005   0.00001  -0.00005   3.14006
   D344      -0.00952  -0.00000  -0.00012   0.00003  -0.00009  -0.00961
   D345      -0.00495  -0.00000   0.00001  -0.00002  -0.00001  -0.00495
   D346       3.14043  -0.00000  -0.00006   0.00001  -0.00005   3.14037
   D347       3.12851  -0.00000  -0.00005   0.00000  -0.00005   3.12846
   D348      -0.00930  -0.00000  -0.00013   0.00003  -0.00010  -0.00939
   D349      -0.00800  -0.00000   0.00001  -0.00002  -0.00001  -0.00801
   D350       3.13951  -0.00000   0.00007  -0.00005   0.00001   3.13952
   D351       3.12980  -0.00000   0.00009  -0.00005   0.00004   3.12984
   D352      -0.00588  -0.00000   0.00015  -0.00009   0.00006  -0.00582
   D353       0.00720   0.00000   0.00002   0.00001   0.00003   0.00723
   D354      -3.12883   0.00000  -0.00004   0.00005   0.00001  -3.12882
   D355      -3.14032   0.00000  -0.00004   0.00004   0.00001  -3.14031
   D356       0.00683   0.00000  -0.00010   0.00009  -0.00001   0.00682
   D357      -0.00776  -0.00000  -0.00007  -0.00001  -0.00008  -0.00784
   D358       3.13987  -0.00000   0.00002  -0.00004  -0.00002   3.13985
   D359       3.12826  -0.00000   0.00000  -0.00004  -0.00004   3.12822
   D360      -0.00729  -0.00000   0.00009  -0.00008   0.00001  -0.00728
   D361       0.00836   0.00000   0.00001   0.00001   0.00003   0.00839
   D362      -3.12965   0.00000  -0.00001   0.00003   0.00001  -3.12964
   D363      -3.13926   0.00000  -0.00007   0.00005  -0.00003  -3.13929
   D364       0.00591   0.00000  -0.00010   0.00006  -0.00004   0.00587
   D365       0.00549   0.00000   0.00002   0.00002   0.00004   0.00553
   D366      -3.12777   0.00000   0.00010  -0.00001   0.00009  -3.12768
   D367      -3.13967   0.00000   0.00005   0.00001   0.00006  -3.13961
   D368       0.01025   0.00000   0.00013  -0.00002   0.00011   0.01036
   D369       0.00543   0.00000   0.00003   0.00002   0.00004   0.00548
   D370      -3.14005   0.00000   0.00007   0.00000   0.00007  -3.13998
   D371      -3.12738   0.00000   0.00010  -0.00000   0.00010  -3.12729
   D372       0.01032   0.00000   0.00013  -0.00002   0.00012   0.01044
   D373       0.00839   0.00000   0.00001   0.00002   0.00002   0.00842
   D374      -3.13949   0.00000  -0.00008   0.00005  -0.00003  -3.13952
   D375      -3.12930   0.00000  -0.00003   0.00003   0.00000  -3.12930
   D376       0.00601   0.00000  -0.00012   0.00007  -0.00005   0.00596
   D377      -0.00776  -0.00000  -0.00007  -0.00001  -0.00008  -0.00784
   D378       3.12804  -0.00000  -0.00000  -0.00004  -0.00005   3.12799
   D379       3.14013  -0.00000   0.00002  -0.00004  -0.00002   3.14011
   D380      -0.00725  -0.00000   0.00009  -0.00008   0.00001  -0.00724
         Item               Value     Threshold  Converged?
 Maximum Force            0.000037     0.000450     YES
 RMS     Force            0.000005     0.000300     YES
 Maximum Displacement     0.020012     0.001800     NO 
 RMS     Displacement     0.003150     0.001200     NO 
 Predicted change in Energy=-1.371952D-07
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C74H46ClN5
 Framework group  C1[X(C74H46ClN5)]
 Deg. of freedom   372
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        1.256295    2.444099   -0.054579
      2          6           0        1.596594    1.090290   -0.027157
      3          6           0        0.629910    0.068285   -0.001467
      4          6           0       -0.733219    0.444619   -0.011871
      5          6           0       -1.082726    1.807615   -0.043198
      6          6           0       -0.111888    2.789358   -0.062781
      7          6           0        0.992645   -1.358917    0.022780
      8          6           0       -0.016851   -2.366563    0.046253
      9          6           0       -1.413665   -1.970410    0.044083
     10          6           0       -1.778996   -0.573405    0.010247
     11          6           0        2.334750   -1.768628    0.033723
     12          6           0        2.715679   -3.113102    0.058087
     13          6           0        1.699347   -4.088330    0.075969
     14          6           0        0.366885   -3.725811    0.071355
     15          7           0       -2.416558   -2.866073    0.074238
     16          6           0       -3.728690   -2.491309    0.066039
     17          6           0       -4.030099   -1.097785    0.019982
     18          7           0       -3.043141   -0.175486   -0.001812
     19          6           0       -4.774779   -3.444226    0.099163
     20          6           0       -6.074354   -2.997430    0.085195
     21          6           0       -6.411739   -1.607463    0.040514
     22          6           0       -5.383277   -0.681361    0.010596
     23          6           0        2.305744    3.491056   -0.077062
     24          6           0        4.145496   -3.498485    0.068323
     25          6           0       -7.830876   -1.182994    0.024366
     26          6           0        4.584963   -4.621005    0.791535
     27          6           0        5.927669   -4.982079    0.817298
     28          6           0        6.872720   -4.239326    0.096549
     29          6           0        6.447414   -3.125482   -0.640297
     30          6           0        5.105980   -2.758769   -0.643228
     31          6           0        2.137275    4.668094   -0.826217
     32          6           0        3.123132    5.648802   -0.862171
     33          6           0        4.305279    5.488443   -0.127114
     34          6           0        4.482406    4.325673    0.634628
     35          6           0        3.499658    3.341331    0.649103
     36          6           0       -8.809534   -1.892633    0.741354
     37          6           0      -10.139379   -1.485195    0.743182
     38          6           0      -10.535107   -0.362371    0.003882
     39          6           0       -9.571824    0.347475   -0.726604
     40          6           0       -8.241083   -0.054505   -0.706373
     41          7           0        5.307390    6.489046   -0.152415
     42          7           0        8.238998   -4.610369    0.110074
     43          7           0      -11.889469    0.048142   -0.007864
     44          6           0        8.746687   -5.885929   -0.177782
     45          6           0       10.158820   -5.855844   -0.058280
     46          6           0       10.521372   -4.506026    0.321046
     47          6           0        9.315968   -3.765545    0.414020
     48          6           0        6.661897    6.286535   -0.452702
     49          6           0        7.340471    7.528867   -0.375427
     50          6           0        6.355157    8.525277   -0.009851
     51          6           0        5.114415    7.851381    0.117510
     52          6           0      -12.357710    1.341216    0.268009
     53          6           0      -13.770663    1.351888    0.154403
     54          6           0      -14.174957    0.009437   -0.208735
     55          6           0      -12.993068   -0.767890   -0.298403
     56          6           0       11.740733   -3.877851    0.598314
     57          6           0       11.743943   -2.536289    0.968301
     58          6           0       10.539044   -1.821477    1.071977
     59          6           0        9.311643   -2.422647    0.800903
     60          6           0        8.070797   -7.044105   -0.571173
     61          6           0        8.830867   -8.184586   -0.821587
     62          6           0       10.229750   -8.176504   -0.691719
     63          6           0       10.898534   -7.015723   -0.315469
     64          6           0        6.420420    9.902661    0.229205
     65          6           0        5.262958   10.582815    0.595420
     66          6           0        4.044704    9.896699    0.732858
     67          6           0        3.952005    8.526110    0.500256
     68          6           0        7.324995    5.113323   -0.822596
     69          6           0        8.689108    5.197223   -1.093524
     70          6           0        9.380077    6.417321   -1.005882
     71          6           0        8.711174    7.585189   -0.652134
     72          6           0      -15.414022   -0.584443   -0.474247
     73          6           0      -15.458948   -1.929120   -0.829495
     74          6           0      -14.276509   -2.680906   -0.930373
     75          6           0      -13.030353   -2.114237   -0.671001
     76          6           0      -11.646535    2.482915    0.647058
     77          6           0      -12.371333    3.648152    0.888566
     78          6           0      -13.770194    3.680249    0.763879
     79          6           0      -14.474454    2.535764    0.402268
     80          1           0       -2.267792   -3.974107    0.118951
     81          1           0        2.648023    0.835495   -0.056487
     82          1           0       -2.134498    2.066860   -0.040750
     83          1           0       -0.403308    3.834593   -0.057345
     84          1           0        3.118773   -1.023206    0.054983
     85          1           0        1.955834   -5.142243    0.066315
     86          1           0       -0.381946   -4.514043    0.080251
     87          1           0       -4.520618   -4.499772    0.124339
     88          1           0       -6.875757   -3.728794    0.081831
     89          1           0       -5.574939    0.385648    0.007309
     90          1           0        3.873170   -5.195153    1.376048
     91          1           0        6.254242   -5.828149    1.412096
     92          1           0        7.168405   -2.567493   -1.227839
     93          1           0        4.792558   -1.912309   -1.246425
     94          1           0        1.240602    4.799599   -1.423822
     95          1           0        2.992595    6.533199   -1.476403
     96          1           0        5.380727    4.210652    1.231535
     97          1           0        3.642390    2.462440    1.270235
     98          1           0       -8.522351   -2.749481    1.342663
     99          1           0      -10.873762   -2.021641    1.333999
    100          1           0       -9.876988    1.197113   -1.327635
    101          1           0       -7.515816    0.490347   -1.302566
    102          1           0       12.671694   -4.433283    0.530397
    103          1           0       12.683540   -2.037589    1.184781
    104          1           0       10.560778   -0.778348    1.373368
    105          1           0        8.386232   -1.865902    0.896239
    106          1           0        6.992917   -7.058115   -0.686449
    107          1           0        8.327559   -9.097155   -1.126691
    108          1           0       10.791860   -9.083218   -0.892383
    109          1           0       11.981085   -7.006921   -0.226957
    110          1           0        7.364324   10.431719    0.134626
    111          1           0        5.300325   11.651489    0.782256
    112          1           0        3.154348   10.442909    1.029940
    113          1           0        3.009689    8.003629    0.620795
    114          1           0        6.798162    4.169292   -0.904745
    115          1           0        9.226278    4.298505   -1.381826
    116          1           0       10.443484    6.447788   -1.221725
    117          1           0        9.243712    8.530210   -0.596116
    118          1           0      -16.327544   -0.000551   -0.408481
    119          1           0      -16.413958   -2.401875   -1.036360
    120          1           0      -14.330638   -3.726143   -1.219780
    121          1           0      -12.123124   -2.700354   -0.764359
    122          1           0      -10.568321    2.465585    0.758976
    123          1           0      -11.840145    4.548444    1.182908
    124          1           0      -14.304615    4.605079    0.957413
    125          1           0      -15.557149    2.558037    0.318296
    126         17           0       -2.347168   -5.787550    0.203110
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           0.0230096           0.0074955           0.0056912
 Standard basis: 6-31G(d,p) (6D, 7F)
 There are  1434 symmetry adapted cartesian basis functions of A   symmetry.
 There are  1434 symmetry adapted basis functions of A   symmetry.
  1434 basis functions,  2586 primitive gaussians,  1434 cartesian basis functions
   271 alpha electrons      271 beta electrons
       nuclear repulsion energy     10549.7323604360 Hartrees.
 NAtoms=  126 NActive=  126 NUniq=  126 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=T Big=T
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 One-electron integrals computed using PRISM.
 NBasis=  1434 RedAO= T EigKep=  1.50D-04  NBF=  1434
 NBsUse=  1434 1.00D-06 EigRej= -1.00D+00 NBFU=  1434
 Initial guess from the checkpoint file:  "ph.chk"
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000   -0.000016   -0.000001   -0.000011 Ang=  -0.00 deg.
 ExpMin= 1.43D-01 ExpMax= 2.52D+04 ExpMxC= 3.78D+03 IAcc=2 IRadAn=         4 AccDes= 0.00D+00
 Harris functional with IExCor=  402 and IRadAn=       4 diagonalized for initial guess.
 HarFok:  IExCor=  402 AccDes= 0.00D+00 IRadAn=         4 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=        2001
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Petite list used in FoFCou.
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Integral accuracy reduced to 1.0D-05 until final iterations.
 Initial convergence to 1.0D-05 achieved.  Increase integral accuracy.
 SCF Done:  E(RB3LYP) =  -3581.78142287     A.U. after    9 cycles
            NFock=  9  Conv=0.40D-08     -V/T= 2.0089
 Calling FoFJK, ICntrl=      2127 FMM=T ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000012845   -0.000011862    0.000000544
      2        6          -0.000005293    0.000003031    0.000004465
      3        6           0.000010368    0.000018627    0.000001910
      4        6          -0.000012928   -0.000003874   -0.000006017
      5        6           0.000000751    0.000002005   -0.000001883
      6        6          -0.000003092    0.000001123    0.000004707
      7        6           0.000022220   -0.000018006    0.000002286
      8        6          -0.000024657    0.000004866    0.000007928
      9        6           0.000031919    0.000046532   -0.000016145
     10        6           0.000001986   -0.000017614    0.000000307
     11        6          -0.000007486   -0.000008155   -0.000004559
     12        6           0.000012040    0.000015417    0.000000003
     13        6          -0.000002065   -0.000000895   -0.000005844
     14        6           0.000005879   -0.000006103    0.000000121
     15        7          -0.000070216    0.000007679    0.000020388
     16        6           0.000022541   -0.000015425   -0.000004044
     17        6           0.000003921   -0.000007132   -0.000000920
     18        7          -0.000000818   -0.000002940   -0.000000384
     19        6           0.000002448    0.000003730    0.000010271
     20        6          -0.000002815   -0.000003223   -0.000004489
     21        6           0.000004181    0.000012197   -0.000000519
     22        6           0.000003875    0.000000158   -0.000001297
     23        6          -0.000017269    0.000006598   -0.000001843
     24        6          -0.000013836   -0.000007979    0.000000614
     25        6          -0.000006162   -0.000004368    0.000000021
     26        6           0.000002992    0.000004653    0.000002796
     27        6           0.000000287   -0.000002809    0.000004838
     28        6          -0.000010082   -0.000006271    0.000001518
     29        6          -0.000001914    0.000003265   -0.000004261
     30        6           0.000006108   -0.000001646   -0.000006034
     31        6           0.000003849   -0.000003985    0.000000362
     32        6          -0.000002474    0.000001427   -0.000001611
     33        6           0.000001479   -0.000001267   -0.000000743
     34        6          -0.000002288    0.000001034    0.000000301
     35        6           0.000005941    0.000000588    0.000003015
     36        6          -0.000001315    0.000000889   -0.000003291
     37        6           0.000001453    0.000001495    0.000003041
     38        6          -0.000001778   -0.000001795    0.000002859
     39        6          -0.000003294    0.000001326   -0.000001666
     40        6           0.000003688   -0.000001573   -0.000000828
     41        7           0.000021248   -0.000010622    0.000005452
     42        7           0.000034600    0.000018696   -0.000004459
     43        7          -0.000013978   -0.000013155   -0.000008971
     44        6          -0.000011910   -0.000030769   -0.000006077
     45        6           0.000011956    0.000001095    0.000002537
     46        6           0.000006410    0.000010538   -0.000001340
     47        6          -0.000033393    0.000004935    0.000008876
     48        6          -0.000026789   -0.000002648   -0.000005945
     49        6           0.000006354   -0.000008117    0.000003638
     50        6           0.000010528   -0.000001639   -0.000002141
     51        6          -0.000013043    0.000023921   -0.000000844
     52        6           0.000008417    0.000022816    0.000006389
     53        6          -0.000009486   -0.000002188   -0.000001068
     54        6          -0.000006780   -0.000007106    0.000002395
     55        6           0.000023910    0.000000752    0.000000034
     56        6           0.000002467   -0.000007436    0.000006135
     57        6           0.000004229    0.000007558   -0.000006177
     58        6          -0.000006528   -0.000002687    0.000001765
     59        6           0.000005527   -0.000004510   -0.000004052
     60        6          -0.000000597    0.000006608    0.000003375
     61        6          -0.000005458   -0.000004904   -0.000001907
     62        6           0.000009145    0.000000103    0.000006191
     63        6          -0.000005350    0.000005609   -0.000006021
     64        6          -0.000005564   -0.000005389    0.000005816
     65        6           0.000009432    0.000000087   -0.000004780
     66        6          -0.000005532    0.000004319    0.000001447
     67        6           0.000000106   -0.000006439   -0.000002581
     68        6           0.000004815    0.000003754    0.000003939
     69        6          -0.000006145    0.000001854   -0.000003060
     70        6           0.000003735   -0.000007387    0.000006285
     71        6           0.000002622    0.000006791   -0.000006067
     72        6          -0.000002400    0.000006720   -0.000006068
     73        6          -0.000002870   -0.000007549    0.000005237
     74        6           0.000004931    0.000003153   -0.000001698
     75        6          -0.000003893    0.000002142    0.000001329
     76        6           0.000000947   -0.000004995   -0.000003840
     77        6           0.000004629    0.000003211    0.000001801
     78        6          -0.000007723    0.000000775   -0.000005572
     79        6           0.000005051   -0.000005012    0.000005161
     80        1           0.000019435   -0.000010518   -0.000006824
     81        1          -0.000003967   -0.000004931    0.000005511
     82        1          -0.000001370   -0.000000394    0.000000522
     83        1           0.000001335   -0.000000321   -0.000004394
     84        1          -0.000002847    0.000006010   -0.000003819
     85        1           0.000001307    0.000000328    0.000004244
     86        1           0.000002385   -0.000000230    0.000001420
     87        1           0.000000704    0.000000164   -0.000003507
     88        1          -0.000000035    0.000001251    0.000006372
     89        1          -0.000001101    0.000000105    0.000000894
     90        1          -0.000000853   -0.000001344   -0.000000333
     91        1           0.000001369    0.000001606   -0.000000841
     92        1           0.000002093    0.000000400    0.000000985
     93        1          -0.000001436    0.000000640    0.000001521
     94        1           0.000000436    0.000000221   -0.000000574
     95        1           0.000000091   -0.000001088    0.000000606
     96        1           0.000001190    0.000000416   -0.000000438
     97        1          -0.000000280   -0.000000556   -0.000000395
     98        1           0.000000213   -0.000000345    0.000001764
     99        1          -0.000001477   -0.000000031   -0.000001307
    100        1           0.000000198   -0.000001477    0.000000986
    101        1          -0.000001180    0.000000660   -0.000000087
    102        1          -0.000000531    0.000000655   -0.000002231
    103        1          -0.000001179   -0.000000540    0.000002856
    104        1           0.000000836   -0.000000337   -0.000001323
    105        1          -0.000001416    0.000000098   -0.000000157
    106        1          -0.000000697   -0.000001607    0.000000440
    107        1           0.000000073    0.000000835    0.000001715
    108        1          -0.000000928   -0.000000877   -0.000002576
    109        1           0.000000475   -0.000001092    0.000002329
    110        1           0.000000574    0.000001022   -0.000002387
    111        1          -0.000001455    0.000000755    0.000002464
    112        1           0.000000143   -0.000000800   -0.000001716
    113        1          -0.000000305    0.000000635    0.000000264
    114        1          -0.000000928   -0.000000154   -0.000000667
    115        1           0.000000318    0.000000341    0.000001710
    116        1          -0.000000951    0.000000329   -0.000002773
    117        1          -0.000001078   -0.000000990    0.000002141
    118        1           0.000000716   -0.000000630    0.000002021
    119        1           0.000000910    0.000000837   -0.000002258
    120        1          -0.000000705    0.000000097    0.000001130
    121        1           0.000001290    0.000000312   -0.000000006
    122        1           0.000000604    0.000001273   -0.000000174
    123        1          -0.000000369   -0.000000560   -0.000001345
    124        1           0.000000851    0.000000680    0.000002228
    125        1          -0.000000503    0.000001011   -0.000001912
    126       17           0.000003434   -0.000004463   -0.000003125
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000070216 RMS     0.000008270

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.000021922 RMS     0.000003627
 Search for a local minimum.
 Step number  23 out of a maximum of  756
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points   13   14   15   16   17
                                                     18   19   20   21   22
                                                     23
 DE= -2.24D-07 DEPred=-1.37D-07 R= 1.64D+00
 Trust test= 1.64D+00 RLast= 6.17D-03 DXMaxT set to 3.00D+00
 ITU=  0  0  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1
 ITU=  0  1  0
     Eigenvalues ---    0.00177   0.00605   0.00766   0.00857   0.01850
     Eigenvalues ---    0.02208   0.02577   0.02652   0.02674   0.02688
     Eigenvalues ---    0.02692   0.02699   0.02703   0.02705   0.02707
     Eigenvalues ---    0.02708   0.02712   0.02715   0.02719   0.02728
     Eigenvalues ---    0.02737   0.02747   0.02757   0.02759   0.02765
     Eigenvalues ---    0.02768   0.02770   0.02773   0.02780   0.02786
     Eigenvalues ---    0.02786   0.02787   0.02791   0.02792   0.02792
     Eigenvalues ---    0.02792   0.02793   0.02793   0.02793   0.02797
     Eigenvalues ---    0.02800   0.02802   0.02802   0.02802   0.02803
     Eigenvalues ---    0.02804   0.02806   0.02808   0.02808   0.02809
     Eigenvalues ---    0.02809   0.02810   0.02811   0.02816   0.02818
     Eigenvalues ---    0.02818   0.02818   0.02819   0.02819   0.02824
     Eigenvalues ---    0.02833   0.02836   0.02837   0.02843   0.02845
     Eigenvalues ---    0.02845   0.02845   0.02845   0.02845   0.02848
     Eigenvalues ---    0.02855   0.02859   0.02864   0.02868   0.02868
     Eigenvalues ---    0.02868   0.02870   0.02872   0.02872   0.02873
     Eigenvalues ---    0.02876   0.02877   0.02877   0.02877   0.02877
     Eigenvalues ---    0.02882   0.02884   0.02884   0.02885   0.02885
     Eigenvalues ---    0.02885   0.02885   0.02885   0.02885   0.02887
     Eigenvalues ---    0.02891   0.02895   0.02896   0.02896   0.02898
     Eigenvalues ---    0.02898   0.02899   0.02900   0.02901   0.02902
     Eigenvalues ---    0.02909   0.02910   0.02913   0.02935   0.02940
     Eigenvalues ---    0.02947   0.02980   0.03025   0.03026   0.03026
     Eigenvalues ---    0.03095   0.03104   0.03136   0.03136   0.03140
     Eigenvalues ---    0.03148   0.03288   0.03324   0.05465   0.10653
     Eigenvalues ---    0.15393   0.15721   0.15849   0.15961   0.15982
     Eigenvalues ---    0.15982   0.15985   0.15986   0.15988   0.15990
     Eigenvalues ---    0.15992   0.15994   0.15995   0.15996   0.15996
     Eigenvalues ---    0.15997   0.15998   0.15998   0.15998   0.15999
     Eigenvalues ---    0.15999   0.15999   0.15999   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16001   0.16001   0.16003
     Eigenvalues ---    0.16011   0.16028   0.16054   0.16075   0.16149
     Eigenvalues ---    0.17730   0.21589   0.21998   0.22000   0.22000
     Eigenvalues ---    0.22000   0.22000   0.22002   0.22002   0.22004
     Eigenvalues ---    0.22125   0.22423   0.22455   0.22599   0.22600
     Eigenvalues ---    0.22602   0.22602   0.22603   0.22679   0.22727
     Eigenvalues ---    0.22948   0.22966   0.23078   0.23364   0.23489
     Eigenvalues ---    0.23497   0.23880   0.23950   0.24003   0.24267
     Eigenvalues ---    0.24374   0.24484   0.24484   0.24485   0.24519
     Eigenvalues ---    0.24531   0.24649   0.24805   0.24950   0.24979
     Eigenvalues ---    0.24981   0.24981   0.24982   0.24982   0.24987
     Eigenvalues ---    0.24996   0.24999   0.24999   0.25000   0.25000
     Eigenvalues ---    0.25000   0.25001   0.25004   0.25012   0.25025
     Eigenvalues ---    0.25043   0.25090   0.25201   0.25590   0.26000
     Eigenvalues ---    0.26124   0.33248   0.33252   0.33254   0.33254
     Eigenvalues ---    0.33256   0.33257   0.33285   0.33300   0.33390
     Eigenvalues ---    0.33393   0.33396   0.33399   0.33401   0.33430
     Eigenvalues ---    0.33562   0.33567   0.33570   0.33572   0.33577
     Eigenvalues ---    0.33613   0.33614   0.33625   0.33644   0.33650
     Eigenvalues ---    0.33655   0.33670   0.33694   0.33715   0.33722
     Eigenvalues ---    0.33739   0.33810   0.33816   0.33829   0.33832
     Eigenvalues ---    0.33837   0.33841   0.33896   0.33929   0.33931
     Eigenvalues ---    0.33933   0.33937   0.33941   0.34956   0.34995
     Eigenvalues ---    0.35329   0.35973   0.44442   0.44443   0.44446
     Eigenvalues ---    0.45002   0.47853   0.48447   0.48951   0.48960
     Eigenvalues ---    0.49034   0.49330   0.49416   0.49641   0.49809
     Eigenvalues ---    0.49811   0.49828   0.49901   0.49941   0.50021
     Eigenvalues ---    0.50076   0.50402   0.50409   0.50611   0.50613
     Eigenvalues ---    0.50616   0.50883   0.51621   0.52126   0.52300
     Eigenvalues ---    0.52735   0.53123   0.53709   0.54086   0.54102
     Eigenvalues ---    0.54201   0.54204   0.54205   0.54300   0.54652
     Eigenvalues ---    0.54899   0.55028   0.55172   0.55265   0.55311
     Eigenvalues ---    0.55336   0.55340   0.55358   0.55387   0.55420
     Eigenvalues ---    0.55508   0.55584   0.55700   0.55709   0.55712
     Eigenvalues ---    0.55947   0.55950   0.56092   0.56144   0.56146
     Eigenvalues ---    0.56147   0.56151   0.56250   0.56277   0.56289
     Eigenvalues ---    0.56406   0.56641   0.56661   0.56664   0.56669
     Eigenvalues ---    0.56670   0.56676   0.56763   0.56785   0.56883
     Eigenvalues ---    0.56905   0.56909   0.57104   0.57169   0.57171
     Eigenvalues ---    0.57172   0.57182   0.57183   0.58776   0.62451
     Eigenvalues ---    0.62961   0.65976   0.66094   0.67433   0.67693
     Eigenvalues ---    0.67698   0.67709   0.68712   0.70010   0.70125
     Eigenvalues ---    0.73950   0.75897
 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF=       -3 using points:    23   22   21   20   19   18   17   16   15   14
 RFO step:  Lambda=-1.28623701D-07.
 DIIS inversion failure, remove point  10.
 DIIS inversion failure, remove point   9.
 DIIS inversion failure, remove point   8.
 DIIS inversion failure, remove point   7.
 DIIS inversion failure, remove point   6.
 RFO-DIIS uses    5 points instead of   10
 DidBck=F Rises=F RFO-DIIS coefs:    1.66661   -0.60715   -0.20883    0.17580   -0.02643
                  RFO-DIIS coefs:    0.00000    0.00000    0.00000    0.00000    0.00000
 Iteration  1 RMS(Cart)=  0.00195847 RMS(Int)=  0.00000036
 Iteration  2 RMS(Cart)=  0.00000131 RMS(Int)=  0.00000005
 Iteration  3 RMS(Cart)=  0.00000000 RMS(Int)=  0.00000005
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        2.63842  -0.00001   0.00002  -0.00002  -0.00000   2.63842
    R2        2.66659   0.00000   0.00001   0.00000   0.00002   2.66660
    R3        2.80162   0.00001  -0.00002   0.00003   0.00001   2.80163
    R4        2.65883  -0.00000  -0.00000  -0.00000  -0.00001   2.65883
    R5        2.04517   0.00001  -0.00002   0.00003   0.00001   2.04518
    R6        2.67238  -0.00001  -0.00002  -0.00001  -0.00003   2.67235
    R7        2.78314   0.00000   0.00002  -0.00000   0.00002   2.78316
    R8        2.65968   0.00000   0.00001  -0.00000   0.00001   2.65969
    R9        2.75830   0.00001  -0.00000   0.00003   0.00003   2.75832
   R10        2.60942   0.00000  -0.00002   0.00002  -0.00001   2.60941
   R11        2.04705  -0.00000   0.00000  -0.00001  -0.00000   2.04705
   R12        2.05057   0.00000  -0.00000   0.00000  -0.00000   2.05057
   R13        2.69575  -0.00002   0.00000  -0.00004  -0.00004   2.69571
   R14        2.65184   0.00000  -0.00001   0.00000  -0.00000   2.65183
   R15        2.74371   0.00001   0.00003   0.00000   0.00003   2.74373
   R16        2.66943   0.00000  -0.00002   0.00002  -0.00001   2.66942
   R17        2.72948  -0.00002   0.00002  -0.00004  -0.00002   2.72946
   R18        2.54160  -0.00001  -0.00002  -0.00001  -0.00004   2.54157
   R19        2.50455  -0.00000  -0.00002   0.00001  -0.00001   2.50453
   R20        2.64110  -0.00001   0.00002  -0.00002   0.00000   2.64110
   R21        2.04475   0.00001  -0.00002   0.00003   0.00001   2.04476
   R22        2.66198   0.00000   0.00001   0.00001   0.00002   2.66200
   R23        2.79846   0.00001  -0.00004   0.00004  -0.00000   2.79845
   R24        2.60953   0.00000  -0.00001   0.00001  -0.00001   2.60952
   R25        2.04982   0.00000  -0.00000  -0.00000  -0.00000   2.04982
   R26        2.05462   0.00000  -0.00002   0.00001  -0.00001   2.05461
   R27        2.57877   0.00001   0.00000   0.00002   0.00002   2.57879
   R28        2.11436   0.00001   0.00034  -0.00013   0.00021   2.11456
   R29        5.52772   0.00001  -0.00026   0.00021  -0.00005   5.52767
   R30        2.69568   0.00000  -0.00004   0.00003  -0.00002   2.69566
   R31        2.67478   0.00000   0.00002  -0.00001   0.00001   2.67479
   R32        2.55302   0.00001   0.00006  -0.00001   0.00005   2.55307
   R33        2.67554   0.00000  -0.00002   0.00001  -0.00000   2.67553
   R34        2.59706   0.00000  -0.00001   0.00001  -0.00001   2.59705
   R35        2.05225  -0.00000  -0.00001   0.00000  -0.00001   2.05225
   R36        2.70425   0.00000   0.00002  -0.00001   0.00002   2.70427
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   D349      -0.00801  -0.00000  -0.00001   0.00001  -0.00001  -0.00802
   D350       3.13952  -0.00000   0.00000  -0.00003  -0.00003   3.13950
   D351       3.12984  -0.00000   0.00002  -0.00003  -0.00001   3.12982
   D352      -0.00582  -0.00000   0.00003  -0.00007  -0.00003  -0.00585
   D353       0.00723   0.00000   0.00003  -0.00001   0.00001   0.00725
   D354      -3.12882   0.00000   0.00002   0.00001   0.00004  -3.12878
   D355      -3.14031   0.00000   0.00001   0.00002   0.00003  -3.14028
   D356       0.00682   0.00000   0.00001   0.00005   0.00006   0.00688
   D357      -0.00784  -0.00000  -0.00005   0.00002  -0.00003  -0.00788
   D358       3.13985  -0.00000  -0.00002  -0.00001  -0.00003   3.13982
   D359       3.12822  -0.00000  -0.00003  -0.00002  -0.00005   3.12817
   D360      -0.00728  -0.00000   0.00000  -0.00005  -0.00005  -0.00732
   D361       0.00839   0.00000   0.00002   0.00000   0.00002   0.00840
   D362      -3.12964   0.00000   0.00000   0.00002   0.00003  -3.12961
   D363      -3.13929   0.00000  -0.00002   0.00003   0.00001  -3.13927
   D364       0.00587   0.00000  -0.00003   0.00005   0.00002   0.00590
   D365       0.00553   0.00000   0.00003  -0.00000   0.00003   0.00556
   D366      -3.12768   0.00000   0.00007  -0.00003   0.00004  -3.12765
   D367      -3.13961  -0.00000   0.00005  -0.00002   0.00002  -3.13959
   D368       0.01036  -0.00000   0.00008  -0.00005   0.00003   0.01039
   D369       0.00548   0.00000   0.00004   0.00000   0.00004   0.00552
   D370      -3.13998  -0.00000   0.00005  -0.00003   0.00003  -3.13995
   D371      -3.12729   0.00000   0.00007  -0.00003   0.00004  -3.12724
   D372       0.01044  -0.00000   0.00009  -0.00006   0.00003   0.01047
   D373       0.00842   0.00000   0.00002  -0.00000   0.00001   0.00843
   D374      -3.13952   0.00000  -0.00002   0.00003   0.00001  -3.13950
   D375      -3.12930   0.00000   0.00000   0.00003   0.00003  -3.12927
   D376       0.00596   0.00000  -0.00004   0.00006   0.00003   0.00598
   D377      -0.00784  -0.00000  -0.00006   0.00002  -0.00004  -0.00788
   D378       3.12799  -0.00000  -0.00004  -0.00001  -0.00005   3.12794
   D379       3.14011  -0.00000  -0.00002  -0.00002  -0.00004   3.14007
   D380      -0.00724  -0.00000  -0.00000  -0.00005  -0.00005  -0.00729
         Item               Value     Threshold  Converged?
 Maximum Force            0.000022     0.000450     YES
 RMS     Force            0.000004     0.000300     YES
 Maximum Displacement     0.012153     0.001800     NO 
 RMS     Displacement     0.001958     0.001200     NO 
 Predicted change in Energy=-6.228554D-08
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C74H46ClN5
 Framework group  C1[X(C74H46ClN5)]
 Deg. of freedom   372
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        1.256309    2.444058   -0.054599
      2          6           0        1.596549    1.090223   -0.027779
      3          6           0        0.629816    0.068274   -0.001927
      4          6           0       -0.733296    0.444629   -0.011858
      5          6           0       -1.082750    1.807658   -0.042492
      6          6           0       -0.111875    2.789361   -0.062015
      7          6           0        0.992541   -1.358945    0.021990
      8          6           0       -0.016948   -2.366584    0.044707
      9          6           0       -1.413777   -1.970425    0.042625
     10          6           0       -1.779093   -0.573406    0.009796
     11          6           0        2.334654   -1.768609    0.033413
     12          6           0        2.715619   -3.113081    0.057292
     13          6           0        1.699271   -4.088326    0.074114
     14          6           0        0.366806   -3.725836    0.069167
     15          7           0       -2.416614   -2.866146    0.072056
     16          6           0       -3.728767   -2.491413    0.064042
     17          6           0       -4.030193   -1.097864    0.019172
     18          7           0       -3.043240   -0.175504   -0.001873
     19          6           0       -4.774878   -3.444349    0.096188
     20          6           0       -6.074445   -2.997535    0.082559
     21          6           0       -6.411829   -1.607513    0.039236
     22          6           0       -5.383359   -0.681404    0.010169
     23          6           0        2.305797    3.490981   -0.077311
     24          6           0        4.145435   -3.498449    0.068115
     25          6           0       -7.830960   -1.183029    0.023603
     26          6           0        4.584433   -4.621782    0.790357
     27          6           0        5.927122   -4.982860    0.816685
     28          6           0        6.872693   -4.239259    0.097490
     29          6           0        6.447883   -3.124573   -0.638375
     30          6           0        5.106445   -2.757905   -0.641869
     31          6           0        2.136772    4.668483   -0.825614
     32          6           0        3.122647    5.649165   -0.861795
     33          6           0        4.305385    5.488298   -0.127812
     34          6           0        4.483089    4.325068    0.633085
     35          6           0        3.500307    3.340768    0.647775
     36          6           0       -8.809529   -1.893267    0.740125
     37          6           0      -10.139363   -1.485812    0.742491
     38          6           0      -10.535174   -0.362348    0.004201
     39          6           0       -9.571983    0.348109   -0.725813
     40          6           0       -8.241248   -0.053908   -0.706105
     41          7           0        5.307533    6.488881   -0.153333
     42          7           0        8.238963   -4.610280    0.111594
     43          7           0      -11.889536    0.048205   -0.006995
     44          6           0        8.746909   -5.885598   -0.177057
     45          6           0       10.158953   -5.855539   -0.056686
     46          6           0       10.521226   -4.506026    0.324000
     47          6           0        9.315762   -3.765662    0.416888
     48          6           0        6.661781    6.286521   -0.454981
     49          6           0        7.340479    7.528754   -0.377407
     50          6           0        6.355547    8.524954   -0.010223
     51          6           0        5.114887    7.851051    0.117761
     52          6           0      -12.357710    1.341144    0.269759
     53          6           0      -13.770659    1.351948    0.156292
     54          6           0      -14.175058    0.009754   -0.207681
     55          6           0      -12.993239   -0.767581   -0.297982
     56          6           0       11.740401   -3.878089    0.602605
     57          6           0       11.743352   -2.536865    0.973833
     58          6           0       10.538375   -1.822191    1.077458
     59          6           0        9.311153   -2.423147    0.805081
     60          6           0        8.071330   -7.043423   -0.572006
     61          6           0        8.831618   -8.183636   -0.822996
     62          6           0       10.230409   -8.175606   -0.692220
     63          6           0       10.898896   -7.015131   -0.314488
     64          6           0        6.421109    9.902155    0.229802
     65          6           0        5.264017   10.582097    0.597592
     66          6           0        4.045858    9.895948    0.735654
     67          6           0        3.952871    8.525535    0.502117
     68          6           0        7.324450    5.113553   -0.826399
     69          6           0        8.688324    5.197577   -1.098510
     70          6           0        9.379439    6.417565   -1.010571
     71          6           0        8.710929    7.585211   -0.655331
     72          6           0      -15.414179   -0.583841   -0.473559
     73          6           0      -15.459218   -1.928258   -0.829784
     74          6           0      -14.276838   -2.680038   -0.931311
     75          6           0      -13.030627   -2.113636   -0.671614
     76          6           0      -11.646465    2.482517    0.649653
     77          6           0      -12.371199    3.647607    0.892071
     78          6           0      -13.770062    3.679853    0.767502
     79          6           0      -14.474394    2.535656    0.405107
     80          1           0       -2.267936   -3.974317    0.116390
     81          1           0        2.647940    0.835334   -0.057877
     82          1           0       -2.134511    2.066938   -0.039612
     83          1           0       -0.403271    3.834599   -0.055943
     84          1           0        3.118599   -1.023122    0.055566
     85          1           0        1.955742   -5.142236    0.063922
     86          1           0       -0.382007   -4.514084    0.077344
     87          1           0       -4.520749   -4.499920    0.120489
     88          1           0       -6.875866   -3.728875    0.078360
     89          1           0       -5.575001    0.385612    0.007849
     90          1           0        3.872267   -5.196617    1.373734
     91          1           0        6.253275   -5.829576    1.410788
     92          1           0        7.169267   -2.565906   -1.224786
     93          1           0        4.793474   -1.910778   -1.244364
     94          1           0        1.239618    4.800400   -1.422401
     95          1           0        2.991662    6.533937   -1.475392
     96          1           0        5.381891    4.209667    1.229194
     97          1           0        3.643509    2.461510    1.268279
     98          1           0       -8.522258   -2.750644    1.340635
     99          1           0      -10.873669   -2.022721    1.332980
    100          1           0       -9.877230    1.198244   -1.326095
    101          1           0       -7.516034    0.491451   -1.301904
    102          1           0       12.671417   -4.433440    0.534786
    103          1           0       12.682811   -2.038343    1.191322
    104          1           0       10.559888   -0.779346    1.379854
    105          1           0        8.385667   -1.866532    0.900430
    106          1           0        6.993530   -7.057371   -0.688028
    107          1           0        8.328547   -9.095939   -1.129288
    108          1           0       10.792701   -9.082107   -0.893341
    109          1           0       11.981394   -7.006350   -0.225329
    110          1           0        7.364954   10.431237    0.134775
    111          1           0        5.301619   11.650635    0.785162
    112          1           0        3.155809   10.441981    1.033981
    113          1           0        3.010651    8.002995    0.623155
    114          1           0        6.797469    4.169626   -0.908793
    115          1           0        9.225175    4.299047   -1.387992
    116          1           0       10.442656    6.448139   -1.227337
    117          1           0        9.243576    8.530158   -0.599120
    118          1           0      -16.327660    0.000065   -0.407333
    119          1           0      -16.414280   -2.400794   -1.036912
    120          1           0      -14.331047   -3.725055   -1.221500
    121          1           0      -12.123439   -2.699727   -0.765508
    122          1           0      -10.568250    2.465048    0.761526
    123          1           0      -11.839950    4.547654    1.187057
    124          1           0      -14.304441    4.604560    0.961743
    125          1           0      -15.557097    2.558030    0.321272
    126         17           0       -2.347137   -5.787620    0.200336
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           0.0230100           0.0074953           0.0056912
 Standard basis: 6-31G(d,p) (6D, 7F)
 There are  1434 symmetry adapted cartesian basis functions of A   symmetry.
 There are  1434 symmetry adapted basis functions of A   symmetry.
  1434 basis functions,  2586 primitive gaussians,  1434 cartesian basis functions
   271 alpha electrons      271 beta electrons
       nuclear repulsion energy     10549.7167824949 Hartrees.
 NAtoms=  126 NActive=  126 NUniq=  126 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=T Big=T
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 One-electron integrals computed using PRISM.
 NBasis=  1434 RedAO= T EigKep=  1.50D-04  NBF=  1434
 NBsUse=  1434 1.00D-06 EigRej= -1.00D+00 NBFU=  1434
 Initial guess from the checkpoint file:  "ph.chk"
 B after Tr=    -0.000000   -0.000000    0.000000
         Rot=    1.000000   -0.000011   -0.000001    0.000004 Ang=  -0.00 deg.
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 SCF Done:  E(RB3LYP) =  -3581.78142296     A.U. after    7 cycles
            NFock=  7  Conv=0.45D-08     -V/T= 2.0089
 Calling FoFJK, ICntrl=      2127 FMM=T ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000010667   -0.000007756    0.000000504
      2        6          -0.000005053    0.000005730    0.000006280
      3        6           0.000005467    0.000002541    0.000001201
      4        6          -0.000006341    0.000001702   -0.000004027
      5        6           0.000006018   -0.000005364    0.000000795
      6        6          -0.000005699    0.000002679   -0.000002692
      7        6           0.000014034   -0.000005351    0.000000593
      8        6          -0.000015791    0.000006523    0.000006031
      9        6           0.000007941    0.000021533   -0.000012168
     10        6           0.000001327   -0.000011036   -0.000000964
     11        6          -0.000008354   -0.000007316   -0.000005298
     12        6           0.000012609    0.000011104    0.000001207
     13        6          -0.000004687   -0.000001293    0.000000033
     14        6           0.000004021   -0.000004525    0.000001620
     15        7          -0.000027625   -0.000011802    0.000019351
     16        6           0.000017687   -0.000008097   -0.000002965
     17        6          -0.000014549    0.000011226   -0.000003975
     18        7           0.000011212   -0.000005112    0.000001773
     19        6          -0.000003457   -0.000001489    0.000004143
     20        6           0.000000271    0.000007813   -0.000002380
     21        6           0.000005073   -0.000000695    0.000000585
     22        6           0.000003210    0.000001448   -0.000000601
     23        6          -0.000012197    0.000005942   -0.000001747
     24        6          -0.000013708   -0.000008795   -0.000001002
     25        6          -0.000002973   -0.000003104   -0.000000765
     26        6           0.000005520    0.000005483   -0.000001061
     27        6          -0.000002554   -0.000000657    0.000002486
     28        6          -0.000014068   -0.000008419    0.000000580
     29        6          -0.000002221   -0.000001367   -0.000001572
     30        6           0.000007498    0.000001967    0.000000790
     31        6           0.000003671   -0.000003352    0.000002798
     32        6          -0.000000757    0.000000071   -0.000001270
     33        6          -0.000013176    0.000005782   -0.000002977
     34        6          -0.000002032    0.000002026    0.000000687
     35        6           0.000008041   -0.000001384   -0.000000455
     36        6          -0.000005156   -0.000002198    0.000000489
     37        6           0.000002448    0.000005687    0.000002038
     38        6           0.000007830    0.000003465    0.000001001
     39        6          -0.000000737    0.000000117    0.000000441
     40        6          -0.000000835    0.000000105   -0.000000501
     41        7           0.000011874   -0.000005748    0.000003717
     42        7           0.000013001    0.000007061   -0.000002303
     43        7          -0.000000912   -0.000004778   -0.000005740
     44        6          -0.000001470   -0.000002534   -0.000001847
     45        6           0.000002127    0.000000898    0.000003941
     46        6           0.000001630    0.000001611   -0.000003305
     47        6          -0.000003032    0.000000354    0.000003564
     48        6          -0.000003227    0.000000073   -0.000002142
     49        6           0.000001065   -0.000002113    0.000003320
     50        6           0.000002733   -0.000000217   -0.000003172
     51        6          -0.000002078    0.000002203    0.000000081
     52        6          -0.000000048   -0.000001385    0.000000171
     53        6           0.000000272   -0.000002866   -0.000006476
     54        6          -0.000003011    0.000001975    0.000007408
     55        6          -0.000002725    0.000002757    0.000003834
     56        6           0.000001075   -0.000003691    0.000004494
     57        6           0.000000071    0.000003099   -0.000003224
     58        6          -0.000001819    0.000001073    0.000002039
     59        6           0.000001256   -0.000002355   -0.000001579
     60        6          -0.000000956    0.000001728    0.000001285
     61        6           0.000000240   -0.000002121   -0.000001877
     62        6           0.000002795   -0.000001386    0.000003279
     63        6          -0.000002579    0.000002280   -0.000004352
     64        6          -0.000003187   -0.000002964    0.000003760
     65        6           0.000003328    0.000001489   -0.000002852
     66        6          -0.000000283    0.000002105    0.000001960
     67        6          -0.000000840   -0.000002042   -0.000001374
     68        6           0.000001076    0.000002142    0.000001594
     69        6          -0.000001513   -0.000001381   -0.000002303
     70        6          -0.000000140   -0.000003397    0.000002979
     71        6           0.000001452    0.000003777   -0.000003880
     72        6          -0.000000317    0.000002510   -0.000006158
     73        6           0.000000413   -0.000002802    0.000002720
     74        6           0.000001545   -0.000001014   -0.000001723
     75        6          -0.000001004    0.000001468   -0.000001387
     76        6           0.000001166   -0.000002137   -0.000000708
     77        6          -0.000000364    0.000002234    0.000001710
     78        6          -0.000002601    0.000001694   -0.000003040
     79        6           0.000002100   -0.000001445    0.000005570
     80        1          -0.000000302    0.000004715   -0.000006781
     81        1          -0.000000092    0.000001012    0.000001817
     82        1          -0.000000806    0.000001942   -0.000000028
     83        1           0.000000131    0.000000520   -0.000000597
     84        1           0.000000754   -0.000001533   -0.000002901
     85        1          -0.000000261   -0.000000357    0.000002485
     86        1           0.000002901   -0.000001452   -0.000001393
     87        1          -0.000000294   -0.000000661   -0.000001068
     88        1           0.000000156   -0.000001345    0.000001122
     89        1          -0.000001120   -0.000000355    0.000000433
     90        1           0.000000222   -0.000000507   -0.000000272
     91        1           0.000001808    0.000000393   -0.000000255
     92        1           0.000000876    0.000001421   -0.000000038
     93        1          -0.000000572   -0.000000364    0.000000728
     94        1           0.000000248    0.000000107    0.000000394
     95        1           0.000001128   -0.000000217    0.000000250
     96        1           0.000000568   -0.000001147    0.000000181
     97        1          -0.000000393   -0.000000164   -0.000000410
     98        1           0.000001194   -0.000000327    0.000000077
     99        1          -0.000000896   -0.000001503   -0.000000602
    100        1          -0.000001142   -0.000000223    0.000000191
    101        1           0.000001189    0.000000974    0.000000569
    102        1          -0.000000054    0.000000428   -0.000001065
    103        1          -0.000000175   -0.000000293    0.000001370
    104        1           0.000000649   -0.000000959   -0.000001244
    105        1          -0.000001226    0.000000902    0.000000448
    106        1           0.000000128   -0.000001720   -0.000000173
    107        1          -0.000000456    0.000000913    0.000001386
    108        1          -0.000000216   -0.000000114   -0.000001182
    109        1           0.000000473   -0.000000415    0.000001267
    110        1           0.000000557    0.000000431   -0.000001156
    111        1          -0.000000601   -0.000000035    0.000001143
    112        1          -0.000000379   -0.000000933   -0.000001445
    113        1           0.000000032    0.000001384    0.000000600
    114        1          -0.000000931   -0.000001100   -0.000000839
    115        1           0.000000304    0.000000859    0.000001387
    116        1          -0.000000062    0.000000241   -0.000001226
    117        1          -0.000000349   -0.000000755    0.000000986
    118        1           0.000000015   -0.000000240    0.000001263
    119        1           0.000000049    0.000000307   -0.000001100
    120        1          -0.000000531    0.000000841    0.000000993
    121        1           0.000000674   -0.000000963   -0.000000342
    122        1          -0.000000254    0.000001462    0.000000388
    123        1           0.000000451   -0.000000740   -0.000001236
    124        1           0.000000094    0.000000067    0.000001037
    125        1          -0.000000367    0.000000296   -0.000001219
    126       17           0.000007182   -0.000000778   -0.000000934
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000027625 RMS     0.000004428

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.000018770 RMS     0.000001928
 Search for a local minimum.
 Step number  24 out of a maximum of  756
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points   13   14   15   16   17
                                                     18   19   20   21   22
                                                     23   24
 DE= -8.91D-08 DEPred=-6.23D-08 R= 1.43D+00
 Trust test= 1.43D+00 RLast= 3.72D-03 DXMaxT set to 3.00D+00
 ITU=  0  0  0  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1
 ITU=  1  0  1  0
     Eigenvalues ---    0.00178   0.00554   0.00723   0.00817   0.01774
     Eigenvalues ---    0.02051   0.02576   0.02635   0.02653   0.02675
     Eigenvalues ---    0.02692   0.02697   0.02704   0.02705   0.02707
     Eigenvalues ---    0.02708   0.02711   0.02716   0.02719   0.02727
     Eigenvalues ---    0.02733   0.02742   0.02752   0.02759   0.02762
     Eigenvalues ---    0.02768   0.02769   0.02773   0.02777   0.02786
     Eigenvalues ---    0.02786   0.02787   0.02791   0.02792   0.02792
     Eigenvalues ---    0.02793   0.02793   0.02793   0.02794   0.02797
     Eigenvalues ---    0.02799   0.02802   0.02802   0.02802   0.02803
     Eigenvalues ---    0.02804   0.02806   0.02808   0.02808   0.02809
     Eigenvalues ---    0.02809   0.02810   0.02812   0.02816   0.02818
     Eigenvalues ---    0.02818   0.02818   0.02819   0.02819   0.02821
     Eigenvalues ---    0.02834   0.02837   0.02837   0.02843   0.02845
     Eigenvalues ---    0.02845   0.02845   0.02845   0.02845   0.02846
     Eigenvalues ---    0.02853   0.02860   0.02865   0.02868   0.02868
     Eigenvalues ---    0.02868   0.02871   0.02871   0.02872   0.02872
     Eigenvalues ---    0.02876   0.02877   0.02877   0.02877   0.02877
     Eigenvalues ---    0.02880   0.02882   0.02884   0.02884   0.02885
     Eigenvalues ---    0.02885   0.02885   0.02885   0.02885   0.02885
     Eigenvalues ---    0.02889   0.02895   0.02896   0.02896   0.02898
     Eigenvalues ---    0.02898   0.02900   0.02900   0.02901   0.02901
     Eigenvalues ---    0.02910   0.02910   0.02917   0.02935   0.02942
     Eigenvalues ---    0.02949   0.02980   0.03025   0.03026   0.03026
     Eigenvalues ---    0.03087   0.03118   0.03136   0.03136   0.03143
     Eigenvalues ---    0.03146   0.03290   0.03401   0.05455   0.10668
     Eigenvalues ---    0.15474   0.15732   0.15861   0.15941   0.15975
     Eigenvalues ---    0.15982   0.15984   0.15985   0.15988   0.15991
     Eigenvalues ---    0.15992   0.15993   0.15995   0.15996   0.15996
     Eigenvalues ---    0.15997   0.15998   0.15998   0.15998   0.15999
     Eigenvalues ---    0.15999   0.15999   0.15999   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16001   0.16001   0.16002
     Eigenvalues ---    0.16019   0.16041   0.16055   0.16078   0.16187
     Eigenvalues ---    0.17578   0.21500   0.21956   0.21999   0.22000
     Eigenvalues ---    0.22000   0.22000   0.22000   0.22002   0.22003
     Eigenvalues ---    0.22004   0.22215   0.22443   0.22581   0.22600
     Eigenvalues ---    0.22602   0.22602   0.22603   0.22607   0.22707
     Eigenvalues ---    0.22949   0.22966   0.23092   0.23367   0.23452
     Eigenvalues ---    0.23501   0.23850   0.23944   0.23986   0.24010
     Eigenvalues ---    0.24397   0.24484   0.24485   0.24486   0.24511
     Eigenvalues ---    0.24532   0.24650   0.24762   0.24968   0.24978
     Eigenvalues ---    0.24980   0.24981   0.24982   0.24982   0.24986
     Eigenvalues ---    0.24996   0.24999   0.24999   0.25000   0.25000
     Eigenvalues ---    0.25000   0.25001   0.25004   0.25012   0.25028
     Eigenvalues ---    0.25073   0.25126   0.25206   0.25454   0.26134
     Eigenvalues ---    0.26732   0.33248   0.33252   0.33254   0.33256
     Eigenvalues ---    0.33257   0.33261   0.33284   0.33301   0.33390
     Eigenvalues ---    0.33393   0.33396   0.33399   0.33401   0.33431
     Eigenvalues ---    0.33562   0.33567   0.33570   0.33572   0.33577
     Eigenvalues ---    0.33613   0.33617   0.33625   0.33644   0.33650
     Eigenvalues ---    0.33654   0.33672   0.33695   0.33717   0.33727
     Eigenvalues ---    0.33742   0.33813   0.33828   0.33832   0.33833
     Eigenvalues ---    0.33841   0.33862   0.33896   0.33929   0.33931
     Eigenvalues ---    0.33933   0.33937   0.33941   0.34960   0.34995
     Eigenvalues ---    0.35378   0.36269   0.44442   0.44443   0.44447
     Eigenvalues ---    0.44952   0.47115   0.48357   0.48951   0.48960
     Eigenvalues ---    0.49032   0.49333   0.49435   0.49677   0.49807
     Eigenvalues ---    0.49811   0.49827   0.49898   0.49935   0.50038
     Eigenvalues ---    0.50117   0.50402   0.50409   0.50610   0.50613
     Eigenvalues ---    0.50616   0.50661   0.51724   0.51779   0.52307
     Eigenvalues ---    0.52772   0.53113   0.53744   0.53975   0.54094
     Eigenvalues ---    0.54122   0.54201   0.54204   0.54205   0.54625
     Eigenvalues ---    0.54937   0.55050   0.55188   0.55270   0.55311
     Eigenvalues ---    0.55335   0.55342   0.55357   0.55385   0.55417
     Eigenvalues ---    0.55513   0.55607   0.55709   0.55713   0.55718
     Eigenvalues ---    0.55947   0.55950   0.56115   0.56126   0.56145
     Eigenvalues ---    0.56147   0.56148   0.56264   0.56285   0.56291
     Eigenvalues ---    0.56408   0.56661   0.56664   0.56665   0.56670
     Eigenvalues ---    0.56671   0.56677   0.56765   0.56781   0.56831
     Eigenvalues ---    0.56905   0.56909   0.57075   0.57169   0.57171
     Eigenvalues ---    0.57172   0.57182   0.57183   0.58883   0.62207
     Eigenvalues ---    0.63277   0.65992   0.66097   0.67691   0.67697
     Eigenvalues ---    0.67701   0.67842   0.69058   0.70011   0.70109
     Eigenvalues ---    0.73946   0.76271
 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF=       -3 using points:    24   23   22   21   20   19   18   17   16   15
 RFO step:  Lambda=-3.08435233D-08.
 DIIS inversion failure, remove point  10.
 DIIS inversion failure, remove point   9.
 DIIS inversion failure, remove point   8.
 DIIS inversion failure, remove point   7.
 DIIS inversion failure, remove point   6.
 DIIS inversion failure, remove point   5.
 RFO-DIIS uses    4 points instead of   10
 DidBck=F Rises=F RFO-DIIS coefs:    1.45079   -0.47611    0.00836    0.01696    0.00000
                  RFO-DIIS coefs:    0.00000    0.00000    0.00000    0.00000    0.00000
 Iteration  1 RMS(Cart)=  0.00084508 RMS(Int)=  0.00000006
 Iteration  2 RMS(Cart)=  0.00000025 RMS(Int)=  0.00000000
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        2.63842  -0.00000  -0.00000  -0.00000  -0.00001   2.63841
    R2        2.66660  -0.00000   0.00001  -0.00001  -0.00000   2.66660
    R3        2.80163   0.00001   0.00001   0.00001   0.00002   2.80165
    R4        2.65883   0.00000  -0.00000   0.00001   0.00001   2.65884
    R5        2.04518  -0.00000   0.00001  -0.00001  -0.00000   2.04518
    R6        2.67235  -0.00000  -0.00001   0.00000  -0.00001   2.67234
    R7        2.78316   0.00001   0.00001   0.00001   0.00002   2.78318
    R8        2.65969  -0.00000   0.00000  -0.00000  -0.00000   2.65969
    R9        2.75832   0.00000   0.00001  -0.00001   0.00001   2.75833
   R10        2.60941   0.00000  -0.00000   0.00000   0.00000   2.60941
   R11        2.04705   0.00000  -0.00000   0.00000   0.00000   2.04705
   R12        2.05057   0.00000  -0.00000   0.00000   0.00000   2.05057
   R13        2.69571  -0.00001  -0.00002  -0.00001  -0.00003   2.69568
   R14        2.65183   0.00001   0.00000   0.00001   0.00002   2.65185
   R15        2.74373   0.00000   0.00001  -0.00000   0.00001   2.74375
   R16        2.66942   0.00001  -0.00000   0.00001   0.00001   2.66943
   R17        2.72946  -0.00001  -0.00002  -0.00001  -0.00003   2.72943
   R18        2.54157  -0.00000  -0.00002   0.00000  -0.00002   2.54155
   R19        2.50453   0.00000  -0.00000   0.00000  -0.00000   2.50453
   R20        2.64110  -0.00000  -0.00000  -0.00000  -0.00001   2.64109
   R21        2.04476  -0.00000   0.00001  -0.00001  -0.00001   2.04475
   R22        2.66200  -0.00000   0.00001  -0.00001   0.00000   2.66200
   R23        2.79845   0.00001   0.00001   0.00001   0.00002   2.79847
   R24        2.60952   0.00000  -0.00000   0.00000  -0.00000   2.60952
   R25        2.04982   0.00000  -0.00000   0.00000   0.00000   2.04982
   R26        2.05461   0.00000  -0.00000   0.00001   0.00000   2.05462
   R27        2.57879   0.00001   0.00001   0.00001   0.00003   2.57882
   R28        2.11456  -0.00000   0.00008  -0.00002   0.00006   2.11462
   R29        5.52767  -0.00000  -0.00000  -0.00002  -0.00002   5.52764
   R30        2.69566   0.00001  -0.00000   0.00001   0.00001   2.69567
   R31        2.67479  -0.00000   0.00000  -0.00000  -0.00000   2.67479
   R32        2.55307  -0.00001   0.00002  -0.00002  -0.00000   2.55306
   R33        2.67553   0.00000  -0.00000   0.00001   0.00000   2.67554
   R34        2.59705   0.00000  -0.00000   0.00001   0.00000   2.59706
   R35        2.05225   0.00000  -0.00000   0.00000  -0.00000   2.05225
   R36        2.70427  -0.00000   0.00001  -0.00001  -0.00000   2.70427
   R37        2.05029   0.00000  -0.00000   0.00000   0.00000   2.05029
   R38        2.61594   0.00000  -0.00001   0.00000  -0.00000   2.61594
   R39        2.79932  -0.00000  -0.00001  -0.00000  -0.00001   2.79931
   R40        2.04864  -0.00000   0.00000  -0.00000  -0.00000   2.04864
   R41        2.65575  -0.00000  -0.00000  -0.00000  -0.00000   2.65574
   R42        2.65583  -0.00000  -0.00000  -0.00001  -0.00001   2.65583
   R43        2.65655  -0.00000   0.00000  -0.00001  -0.00001   2.65654
   R44        2.65641  -0.00000  -0.00000  -0.00001  -0.00001   2.65640
   R45        2.65602  -0.00000   0.00000  -0.00000  -0.00000   2.65601
   R46        2.65621   0.00000  -0.00000   0.00000   0.00000   2.65621
   R47        2.62793   0.00000  -0.00000   0.00001   0.00000   2.62793
   R48        2.05098   0.00000  -0.00000   0.00000  -0.00000   2.05098
   R49        2.64851   0.00000   0.00000   0.00000   0.00000   2.64851
   R50        2.04952  -0.00000  -0.00000  -0.00000  -0.00000   2.04951
   R51        2.64864   0.00000   0.00000   0.00000   0.00001   2.64865
   R52        2.67551  -0.00001  -0.00001  -0.00002  -0.00002   2.67549
   R53        2.62795   0.00000  -0.00000   0.00001   0.00000   2.62795
   R54        2.04962  -0.00000  -0.00000  -0.00000  -0.00000   2.04962
   R55        2.05153  -0.00000   0.00000  -0.00000  -0.00000   2.05153
   R56        2.62869   0.00000   0.00000   0.00000   0.00000   2.62869
   R57        2.05141   0.00000  -0.00000   0.00000   0.00000   2.05141
   R58        2.64796   0.00000  -0.00000   0.00000   0.00000   2.64796
   R59        2.04970  -0.00000  -0.00000  -0.00000  -0.00000   2.04970
   R60        2.64808   0.00000  -0.00000   0.00000   0.00000   2.64808
   R61        2.67656  -0.00001   0.00001  -0.00002  -0.00001   2.67655
   R62        2.62864   0.00000  -0.00000   0.00001   0.00000   2.62864
   R63        2.04973  -0.00000  -0.00000   0.00000  -0.00000   2.04973
   R64        2.05157   0.00000  -0.00000  -0.00000  -0.00000   2.05157
   R65        2.62834   0.00000  -0.00000   0.00001   0.00000   2.62834
   R66        2.05123   0.00000  -0.00000   0.00000   0.00000   2.05123
   R67        2.64825  -0.00000   0.00000  -0.00000  -0.00000   2.64825
   R68        2.04942   0.00000  -0.00000   0.00000  -0.00000   2.04942
   R69        2.64926   0.00000   0.00000   0.00000   0.00000   2.64927
   R70        2.67446  -0.00001   0.00001  -0.00001  -0.00001   2.67446
   R71        2.62724   0.00000  -0.00000   0.00000  -0.00000   2.62724
   R72        2.04950  -0.00000  -0.00000   0.00000  -0.00000   2.04950
   R73        2.05131  -0.00000   0.00000  -0.00000  -0.00000   2.05131
   R74        2.64961   0.00000   0.00002  -0.00001   0.00001   2.64963
   R75        2.64974   0.00000   0.00002  -0.00000   0.00002   2.64975
   R76        2.65085   0.00000   0.00003  -0.00001   0.00003   2.65088
   R77        2.64972   0.00000   0.00003  -0.00001   0.00002   2.64974
   R78        2.65065  -0.00000   0.00002  -0.00001   0.00001   2.65067
   R79        2.65124  -0.00000   0.00003  -0.00001   0.00001   2.65125
   R80        2.67866  -0.00000  -0.00001   0.00000  -0.00001   2.67864
   R81        2.64085   0.00000  -0.00000   0.00000  -0.00000   2.64085
   R82        2.73674  -0.00000   0.00000  -0.00000  -0.00000   2.73674
   R83        2.64469  -0.00000  -0.00000  -0.00000  -0.00000   2.64469
   R84        2.67909  -0.00000  -0.00001   0.00000  -0.00001   2.67908
   R85        2.64448  -0.00000  -0.00000  -0.00000  -0.00000   2.64448
   R86        2.64093   0.00000  -0.00000   0.00000  -0.00000   2.64093
   R87        2.67901  -0.00000  -0.00001   0.00000  -0.00001   2.67900
   R88        2.64084   0.00000  -0.00000   0.00000  -0.00000   2.64084
   R89        2.73673   0.00000   0.00000  -0.00000   0.00000   2.73673
   R90        2.64465  -0.00000  -0.00000  -0.00000  -0.00000   2.64464
   R91        2.67899  -0.00000  -0.00001   0.00000  -0.00001   2.67898
   R92        2.64467  -0.00000  -0.00000  -0.00000  -0.00000   2.64466
   R93        2.64085   0.00000  -0.00000   0.00000  -0.00000   2.64084
   R94        2.67876  -0.00000  -0.00001   0.00000  -0.00001   2.67875
   R95        2.64083   0.00000  -0.00000   0.00000  -0.00000   2.64083
   R96        2.73684  -0.00000   0.00000  -0.00000  -0.00000   2.73684
   R97        2.64448  -0.00000  -0.00000  -0.00000  -0.00000   2.64448
   R98        2.67855  -0.00000  -0.00001   0.00000  -0.00001   2.67854
   R99        2.64458  -0.00000  -0.00000  -0.00000  -0.00000   2.64458
   R100       2.64080  -0.00000  -0.00000  -0.00000  -0.00000   2.64079
   R101       2.62984   0.00000   0.00000   0.00000   0.00001   2.62985
   R102       2.05260  -0.00000  -0.00000  -0.00000  -0.00000   2.05260
   R103       2.65469  -0.00000  -0.00001   0.00000  -0.00001   2.65468
   R104       2.05138  -0.00000   0.00000  -0.00000  -0.00000   2.05138
   R105       2.63304   0.00000   0.00000  -0.00000   0.00000   2.63304
   R106       2.05227  -0.00000   0.00000  -0.00000  -0.00000   2.05227
   R107       2.04879  -0.00000  -0.00000  -0.00000  -0.00000   2.04879
   R108       2.63284   0.00000   0.00000  -0.00000   0.00000   2.63285
   R109       2.04868  -0.00000  -0.00000  -0.00000  -0.00000   2.04868
   R110       2.65490  -0.00000  -0.00001   0.00000  -0.00001   2.65490
   R111       2.05206  -0.00000   0.00000  -0.00000  -0.00000   2.05206
   R112       2.62954   0.00000   0.00000   0.00000   0.00001   2.62955
   R113       2.05135  -0.00000   0.00000  -0.00000  -0.00000   2.05135
   R114       2.05262  -0.00000  -0.00000  -0.00000  -0.00000   2.05262
   R115       2.62968   0.00000   0.00000   0.00000   0.00001   2.62968
   R116       2.05260  -0.00000  -0.00000  -0.00000  -0.00000   2.05260
   R117       2.65490  -0.00000  -0.00001  -0.00000  -0.00001   2.65489
   R118       2.05135  -0.00000   0.00000  -0.00000   0.00000   2.05135
   R119       2.63291   0.00000   0.00000  -0.00000   0.00000   2.63291
   R120       2.05219  -0.00000   0.00000  -0.00000  -0.00000   2.05219
   R121       2.04883  -0.00000  -0.00000  -0.00000  -0.00000   2.04883
   R122       2.63294   0.00000   0.00000  -0.00000   0.00000   2.63294
   R123       2.04885  -0.00000  -0.00000  -0.00000  -0.00000   2.04885
   R124       2.65488  -0.00000  -0.00001   0.00000  -0.00001   2.65487
   R125       2.05222  -0.00000   0.00000  -0.00000  -0.00000   2.05222
   R126       2.62971   0.00000   0.00000   0.00000   0.00001   2.62971
   R127       2.05134  -0.00000   0.00000  -0.00000   0.00000   2.05134
   R128       2.05259  -0.00000  -0.00000  -0.00000  -0.00000   2.05259
   R129       2.62963   0.00000   0.00000   0.00000   0.00001   2.62963
   R130       2.05258  -0.00000  -0.00000  -0.00000  -0.00000   2.05257
   R131       2.65471  -0.00000  -0.00001   0.00000  -0.00000   2.65471
   R132       2.05132  -0.00000   0.00000  -0.00000  -0.00000   2.05132
   R133       2.63296   0.00000   0.00000   0.00000   0.00000   2.63297
   R134       2.05208  -0.00000   0.00000  -0.00000  -0.00000   2.05208
   R135       2.04868   0.00000  -0.00000   0.00000  -0.00000   2.04868
   R136       2.63306   0.00000   0.00000   0.00000   0.00000   2.63306
   R137       2.04873  -0.00000  -0.00000  -0.00000  -0.00000   2.04873
   R138       2.65463  -0.00000  -0.00001   0.00000  -0.00000   2.65462
   R139       2.05218  -0.00000   0.00000  -0.00000  -0.00000   2.05218
   R140       2.62978   0.00000   0.00000   0.00000   0.00001   2.62978
   R141       2.05135  -0.00000   0.00000  -0.00000  -0.00000   2.05135
   R142       2.05257  -0.00000  -0.00000  -0.00000  -0.00000   2.05257
   R143       3.43358   0.00000  -0.00009   0.00003  -0.00006   3.43352
    A1        2.06424   0.00000  -0.00001   0.00001   0.00001   2.06425
    A2        2.10892  -0.00000   0.00000  -0.00000   0.00000   2.10892
    A3        2.11003  -0.00000   0.00000  -0.00001  -0.00001   2.11002
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   A45        2.27629   0.00002   0.00001   0.00008   0.00009   2.27638
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   A79        2.09894   0.00000   0.00000   0.00001   0.00001   2.09895
   A80        2.09836  -0.00000  -0.00000  -0.00001  -0.00002   2.09835
   A81        2.08566   0.00000   0.00000   0.00001   0.00001   2.08567
   A82        2.07931  -0.00000  -0.00001  -0.00001  -0.00002   2.07930
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   A89        2.08782   0.00000   0.00001   0.00000   0.00001   2.08783
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   D234       3.12473   0.00000  -0.00003   0.00002  -0.00001   3.12472
   D235       3.12496   0.00000  -0.00003   0.00002  -0.00001   3.12495
   D236      -0.03061   0.00000  -0.00006   0.00003  -0.00002  -0.03063
   D237       0.00618   0.00000   0.00001   0.00001   0.00002   0.00620
   D238      -3.14080  -0.00000  -0.00000  -0.00000  -0.00000  -3.14080
   D239      -3.12029  -0.00000   0.00004  -0.00001   0.00003  -3.12026
   D240       0.01592  -0.00000   0.00003  -0.00002   0.00000   0.01592
   D241       0.00230   0.00000   0.00000   0.00000   0.00001   0.00231
   D242       3.10950  -0.00000  -0.00007   0.00001  -0.00005   3.10945
   D243      -3.12763  -0.00000   0.00003  -0.00001   0.00002  -3.12761
   D244      -0.02043  -0.00000  -0.00004   0.00000  -0.00004  -0.02047
   D245      -3.11987  -0.00000   0.00004  -0.00001   0.00003  -3.11984
   D246       0.01592  -0.00000   0.00003  -0.00002   0.00001   0.01593
   D247       0.00635   0.00000   0.00001   0.00001   0.00002   0.00637
   D248      -3.14105  -0.00000  -0.00001  -0.00000  -0.00001  -3.14105
   D249       3.11897   0.00000  -0.00004   0.00001  -0.00003   3.11894
   D250      -0.01384  -0.00000  -0.00004  -0.00000  -0.00005  -0.01389
   D251       0.01957   0.00000   0.00004  -0.00000   0.00004   0.01961
   D252      -3.11324  -0.00000   0.00004  -0.00002   0.00002  -3.11322
   D253       0.00227   0.00000   0.00000   0.00000   0.00000   0.00228
   D254      -3.12797  -0.00000   0.00001  -0.00001   0.00000  -3.12797
   D255       3.11057   0.00000  -0.00003   0.00001  -0.00002   3.11055
   D256      -0.01967  -0.00000  -0.00003   0.00000  -0.00002  -0.01970
   D257       3.11951   0.00000  -0.00002   0.00001  -0.00001   3.11950
   D258      -0.01388  -0.00000  -0.00002  -0.00001  -0.00003  -0.01391
   D259       0.01875   0.00000   0.00003  -0.00001   0.00002   0.01878
   D260      -3.11463  -0.00000   0.00002  -0.00002  -0.00000  -3.11463
   D261      -0.00280  -0.00000  -0.00000  -0.00000  -0.00000  -0.00281
   D262       3.12536   0.00000  -0.00001   0.00001   0.00000   3.12536
   D263       3.12517   0.00000  -0.00001   0.00001   0.00000   3.12517
   D264      -0.02985   0.00000  -0.00002   0.00002   0.00001  -0.02985
   D265       0.00622   0.00000   0.00001   0.00000   0.00001   0.00623
   D266      -3.14093  -0.00000  -0.00001  -0.00000  -0.00001  -3.14094
   D267      -3.12040  -0.00000   0.00002  -0.00001   0.00001  -3.12039
   D268       0.01564  -0.00000   0.00000  -0.00002  -0.00001   0.01563
   D269       0.00233  -0.00000  -0.00000  -0.00000  -0.00000   0.00233
   D270       3.11071  -0.00000  -0.00003   0.00001  -0.00002   3.11069
   D271      -3.12807  -0.00000   0.00001  -0.00001  -0.00001  -3.12807
   D272      -0.01968  -0.00000  -0.00003   0.00000  -0.00003  -0.01971
   D273      -3.12068  -0.00000   0.00002  -0.00001   0.00001  -3.12067
   D274       0.01547  -0.00000   0.00000  -0.00001  -0.00001   0.01546
   D275       0.00614   0.00000   0.00001   0.00000   0.00002   0.00615
   D276      -3.14089  -0.00000  -0.00000  -0.00000  -0.00001  -3.14090
   D277       3.11972   0.00000  -0.00001   0.00001  -0.00000   3.11972
   D278      -0.01376  -0.00000  -0.00002  -0.00000  -0.00002  -0.01378
   D279       0.01886   0.00000   0.00003  -0.00000   0.00002   0.01888
   D280      -3.11462  -0.00000   0.00002  -0.00002   0.00000  -3.11462
   D281      -0.00245  -0.00000  -0.00000  -0.00000  -0.00001  -0.00246
   D282       3.12723   0.00000  -0.00003   0.00003  -0.00000   3.12723
   D283      -3.10894  -0.00000   0.00006  -0.00003   0.00003  -3.10891
   D284       0.02075   0.00000   0.00003   0.00000   0.00003   0.02078
   D285      -3.11855  -0.00000   0.00004  -0.00003   0.00001  -3.11853
   D286       0.01416  -0.00000   0.00004  -0.00001   0.00003   0.01419
   D287      -0.02003  -0.00000  -0.00003   0.00001  -0.00003  -0.02006
   D288       3.11267   0.00000  -0.00003   0.00002  -0.00001   3.11267
   D289       0.00294   0.00000  -0.00000   0.00000   0.00000   0.00294
   D290      -3.12466  -0.00000   0.00003  -0.00004  -0.00001  -3.12467
   D291      -3.12438  -0.00000   0.00004  -0.00004   0.00000  -3.12438
   D292       0.03121  -0.00000   0.00007  -0.00008  -0.00001   0.03119
   D293      -0.00632  -0.00000  -0.00000  -0.00001  -0.00001  -0.00633
   D294       3.14104  -0.00000   0.00001  -0.00000   0.00000   3.14104
   D295       3.11958   0.00000  -0.00004   0.00003  -0.00001   3.11957
   D296      -0.01625   0.00000  -0.00004   0.00004   0.00000  -0.01625
   D297      -0.00236  -0.00000   0.00001  -0.00000   0.00000  -0.00236
   D298      -3.10913  -0.00000   0.00005  -0.00004   0.00001  -3.10912
   D299       3.12755   0.00000  -0.00002   0.00004   0.00001   3.12757
   D300       0.02078   0.00000   0.00002  -0.00000   0.00002   0.02080
   D301       3.11988   0.00000  -0.00004   0.00004   0.00000   3.11988
   D302      -0.01618   0.00000  -0.00003   0.00005   0.00002  -0.01616
   D303      -0.00632  -0.00000  -0.00000  -0.00001  -0.00001  -0.00634
   D304       3.14081  -0.00000   0.00001  -0.00000   0.00000   3.14081
   D305      -3.11895  -0.00000   0.00003  -0.00004  -0.00001  -3.11896
   D306       0.01421  -0.00000   0.00003  -0.00002   0.00001   0.01422
   D307      -0.02008  -0.00000  -0.00003   0.00001  -0.00002  -0.02010
   D308       3.11307   0.00000  -0.00003   0.00003  -0.00000   3.11307
   D309       0.00766  -0.00000   0.00001  -0.00001   0.00000   0.00766
   D310      -3.14032   0.00000   0.00002  -0.00000   0.00002  -3.14030
   D311      -3.12812   0.00000   0.00003  -0.00000   0.00003  -3.12809
   D312       0.00709   0.00000   0.00004   0.00001   0.00004   0.00713
   D313      -0.00837   0.00000  -0.00001   0.00001  -0.00000  -0.00837
   D314       3.12914  -0.00000  -0.00002  -0.00001  -0.00003   3.12911
   D315       3.13960  -0.00000  -0.00001  -0.00000  -0.00002   3.13958
   D316      -0.00609  -0.00000  -0.00002  -0.00002  -0.00004  -0.00613
   D317      -0.00525  -0.00000  -0.00002   0.00000  -0.00002  -0.00526
   D318       3.12761   0.00000  -0.00002   0.00002  -0.00000   3.12761
   D319       3.14042   0.00000  -0.00001   0.00002   0.00001   3.14043
   D320      -0.00991   0.00000  -0.00001   0.00003   0.00002  -0.00988
   D321      -0.00549  -0.00000  -0.00002   0.00000  -0.00002  -0.00550
   D322       3.13950   0.00000  -0.00001   0.00002   0.00001   3.13951
   D323       3.12812   0.00000  -0.00002   0.00002  -0.00000   3.12812
   D324      -0.01007   0.00000  -0.00001   0.00003   0.00002  -0.01005
   D325      -0.00819   0.00000  -0.00001   0.00001  -0.00001  -0.00819
   D326       3.13926  -0.00000  -0.00002  -0.00000  -0.00002   3.13924
   D327       3.13000  -0.00000  -0.00002  -0.00001  -0.00003   3.12997
   D328      -0.00574  -0.00000  -0.00003  -0.00002  -0.00005  -0.00579
   D329       0.00769  -0.00000   0.00001  -0.00001   0.00000   0.00769
   D330      -3.12850   0.00000   0.00003  -0.00000   0.00003  -3.12848
   D331      -3.13977   0.00000   0.00002   0.00000   0.00002  -3.13975
   D332       0.00722   0.00000   0.00003   0.00001   0.00004   0.00726
   D333       0.00732  -0.00000   0.00001  -0.00001  -0.00000   0.00731
   D334      -3.14012   0.00000   0.00002   0.00000   0.00002  -3.14010
   D335      -3.12883   0.00000   0.00002  -0.00000   0.00002  -3.12881
   D336       0.00692   0.00000   0.00003   0.00001   0.00004   0.00696
   D337      -0.00799   0.00000  -0.00000   0.00001   0.00000  -0.00799
   D338       3.13005  -0.00000  -0.00001  -0.00001  -0.00002   3.13003
   D339       3.13943  -0.00000  -0.00002  -0.00000  -0.00002   3.13942
   D340      -0.00572  -0.00000  -0.00002  -0.00002  -0.00004  -0.00576
   D341      -0.00509  -0.00000  -0.00001   0.00000  -0.00001  -0.00510
   D342       3.12843   0.00000  -0.00001   0.00002   0.00001   3.12844
   D343       3.14004   0.00000  -0.00000   0.00002   0.00001   3.14006
   D344      -0.00962   0.00000   0.00000   0.00003   0.00003  -0.00958
   D345      -0.00498  -0.00000  -0.00001   0.00000  -0.00001  -0.00499
   D346       3.14036   0.00000  -0.00001   0.00002   0.00001   3.14037
   D347       3.12845   0.00000  -0.00000   0.00002   0.00001   3.12846
   D348      -0.00940   0.00000   0.00000   0.00003   0.00004  -0.00937
   D349      -0.00802   0.00000  -0.00000   0.00001   0.00000  -0.00801
   D350       3.13950  -0.00000  -0.00002  -0.00000  -0.00002   3.13948
   D351       3.12982  -0.00000  -0.00001  -0.00001  -0.00002   3.12980
   D352      -0.00585  -0.00000  -0.00002  -0.00002  -0.00004  -0.00590
   D353       0.00725  -0.00000   0.00001  -0.00001  -0.00000   0.00724
   D354      -3.12878   0.00000   0.00002  -0.00000   0.00002  -3.12876
   D355      -3.14028   0.00000   0.00002  -0.00000   0.00002  -3.14026
   D356       0.00688   0.00000   0.00003   0.00000   0.00004   0.00692
   D357      -0.00788   0.00000  -0.00001   0.00002   0.00000  -0.00787
   D358       3.13982  -0.00000  -0.00002   0.00000  -0.00001   3.13980
   D359       3.12817  -0.00000  -0.00002   0.00001  -0.00001   3.12816
   D360      -0.00732  -0.00000  -0.00003  -0.00001  -0.00003  -0.00735
   D361       0.00840  -0.00000   0.00001  -0.00001  -0.00000   0.00840
   D362      -3.12961   0.00000   0.00001   0.00000   0.00001  -3.12960
   D363      -3.13927   0.00000   0.00001   0.00001   0.00002  -3.13926
   D364       0.00590   0.00000   0.00002   0.00002   0.00003   0.00593
   D365       0.00556  -0.00000   0.00001  -0.00001   0.00001   0.00557
   D366      -3.12765  -0.00000   0.00001  -0.00002  -0.00001  -3.12766
   D367      -3.13959  -0.00000   0.00001  -0.00002  -0.00001  -3.13960
   D368       0.01039  -0.00000   0.00001  -0.00003  -0.00003   0.01036
   D369       0.00552   0.00000   0.00002  -0.00000   0.00001   0.00553
   D370      -3.13995  -0.00000   0.00001  -0.00002  -0.00001  -3.13996
   D371      -3.12724  -0.00000   0.00002  -0.00002  -0.00001  -3.12725
   D372       0.01047  -0.00000   0.00001  -0.00003  -0.00003   0.01045
   D373       0.00843  -0.00000   0.00001  -0.00001  -0.00000   0.00843
   D374      -3.13950   0.00000   0.00001   0.00001   0.00002  -3.13949
   D375      -3.12927   0.00000   0.00001   0.00001   0.00002  -3.12925
   D376       0.00598   0.00000   0.00002   0.00002   0.00004   0.00602
   D377      -0.00788   0.00000  -0.00001   0.00001   0.00000  -0.00788
   D378       3.12794  -0.00000  -0.00002   0.00001  -0.00002   3.12793
   D379       3.14007  -0.00000  -0.00002   0.00000  -0.00001   3.14006
   D380      -0.00729  -0.00000  -0.00003  -0.00001  -0.00003  -0.00732
         Item               Value     Threshold  Converged?
 Maximum Force            0.000019     0.000450     YES
 RMS     Force            0.000002     0.000300     YES
 Maximum Displacement     0.004698     0.001800     NO 
 RMS     Displacement     0.000845     0.001200     YES
 Predicted change in Energy=-1.537384D-08
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C74H46ClN5
 Framework group  C1[X(C74H46ClN5)]
 Deg. of freedom   372
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        1.256308    2.444099   -0.054602
      2          6           0        1.596562    1.090265   -0.028094
      3          6           0        0.629835    0.068305   -0.002180
      4          6           0       -0.733274    0.444660   -0.011878
      5          6           0       -1.082745    1.807693   -0.042158
      6          6           0       -0.111877    2.789404   -0.061641
      7          6           0        0.992570   -1.358927    0.021538
      8          6           0       -0.016911   -2.366561    0.043838
      9          6           0       -1.413746   -1.970398    0.041817
     10          6           0       -1.779069   -0.573385    0.009521
     11          6           0        2.334687   -1.768596    0.033206
     12          6           0        2.715637   -3.113073    0.056786
     13          6           0        1.699283   -4.088324    0.073041
     14          6           0        0.366820   -3.725831    0.067947
     15          7           0       -2.416550   -2.866157    0.070830
     16          6           0       -3.728722   -2.491440    0.062952
     17          6           0       -4.030160   -1.097869    0.018697
     18          7           0       -3.043219   -0.175490   -0.001967
     19          6           0       -4.774833   -3.444389    0.094614
     20          6           0       -6.074402   -2.997566    0.081182
     21          6           0       -6.411797   -1.607526    0.038542
     22          6           0       -5.383329   -0.681404    0.009899
     23          6           0        2.305790    3.491038   -0.077413
     24          6           0        4.145455   -3.498462    0.067918
     25          6           0       -7.830927   -1.183053    0.023189
     26          6           0        4.584209   -4.622068    0.789876
     27          6           0        5.926888   -4.983169    0.816503
     28          6           0        6.872711   -4.239307    0.097905
     29          6           0        6.448139   -3.124338   -0.637674
     30          6           0        5.106703   -2.757663   -0.641471
     31          6           0        2.136569    4.668648   -0.825498
     32          6           0        3.122432    5.649341   -0.861779
     33          6           0        4.305354    5.488373   -0.128114
     34          6           0        4.483251    4.325030    0.632565
     35          6           0        3.500476    3.340721    0.647354
     36          6           0       -8.809439   -1.893660    0.739420
     37          6           0      -10.139278   -1.486216    0.742086
     38          6           0      -10.535157   -0.362388    0.004393
     39          6           0       -9.572022    0.348440   -0.725339
     40          6           0       -8.241282   -0.053574   -0.705926
     41          7           0        5.307487    6.488963   -0.153734
     42          7           0        8.238961   -4.610341    0.112317
     43          7           0      -11.889522    0.048155   -0.006496
     44          6           0        8.746997   -5.885595   -0.176530
     45          6           0       10.159003   -5.855558   -0.055779
     46          6           0       10.521175   -4.506142    0.325345
     47          6           0        9.315697   -3.765798    0.418102
     48          6           0        6.661667    6.286663   -0.455762
     49          6           0        7.340377    7.528880   -0.378132
     50          6           0        6.355538    8.525012   -0.010512
     51          6           0        5.114914    7.851091    0.117664
     52          6           0      -12.357693    1.340973    0.270866
     53          6           0      -13.770640    1.351828    0.157431
     54          6           0      -14.175049    0.009806   -0.207159
     55          6           0      -12.993240   -0.767491   -0.297844
     56          6           0       11.740282   -3.878294    0.604441
     57          6           0       11.743146   -2.537171    0.976044
     58          6           0       10.538148   -1.822522    1.079557
     59          6           0        9.310993   -2.423399    0.806693
     60          6           0        8.071541   -7.043310   -0.572009
     61          6           0        8.831906   -8.183453   -0.823095
     62          6           0       10.230656   -8.175452   -0.691919
     63          6           0       10.899029   -7.015072   -0.313683
     64          6           0        6.421167    9.902167    0.229745
     65          6           0        5.264171   10.582043    0.597971
     66          6           0        4.046051    9.895871    0.736231
     67          6           0        3.953003    8.525499    0.502467
     68          6           0        7.324238    5.113770   -0.827587
     69          6           0        8.688043    5.197846   -1.100029
     70          6           0        9.379177    6.417816   -1.012030
     71          6           0        8.710755    7.585394   -0.656392
     72          6           0      -15.414181   -0.583656   -0.473275
     73          6           0      -15.459236   -1.927909   -0.830132
     74          6           0      -14.276864   -2.679644   -0.932044
     75          6           0      -13.030642   -2.113367   -0.672115
     76          6           0      -11.646448    2.482162    0.651309
     77          6           0      -12.371180    3.647139    0.894285
     78          6           0      -13.770041    3.679444    0.769742
     79          6           0      -14.474376    2.535416    0.406811
     80          1           0       -2.267876   -3.974367    0.114979
     81          1           0        2.647942    0.835383   -0.058548
     82          1           0       -2.134506    2.066973   -0.039079
     83          1           0       -0.403278    3.834639   -0.055273
     84          1           0        3.118621   -1.023115    0.055854
     85          1           0        1.955751   -5.142232    0.062547
     86          1           0       -0.382004   -4.514075    0.075784
     87          1           0       -4.520711   -4.499971    0.118467
     88          1           0       -6.875820   -3.728909    0.076588
     89          1           0       -5.574960    0.385615    0.008073
     90          1           0        3.871858   -5.197117    1.372815
     91          1           0        6.252825   -5.830106    1.410408
     92          1           0        7.169706   -2.565449   -1.223648
     93          1           0        4.793947   -1.910314   -1.243765
     94          1           0        1.239265    4.800648   -1.422043
     95          1           0        2.991286    6.534200   -1.475214
     96          1           0        5.382200    4.209541    1.228434
     97          1           0        3.643838    2.461373    1.267693
     98          1           0       -8.522121   -2.751343    1.339472
     99          1           0      -10.873526   -2.023430    1.332370
    100          1           0       -9.877316    1.198866   -1.325183
    101          1           0       -7.516122    0.492096   -1.301505
    102          1           0       12.671313   -4.433634    0.536734
    103          1           0       12.682556   -2.038717    1.193897
    104          1           0       10.559582   -0.779770    1.382274
    105          1           0        8.385491   -1.866800    0.901964
    106          1           0        6.993777   -7.057242   -0.688346
    107          1           0        8.328927   -9.095666   -1.129803
    108          1           0       10.793016   -9.081896   -0.893108
    109          1           0       11.981503   -7.006308   -0.224238
    110          1           0        7.364986   10.431271    0.134583
    111          1           0        5.301827   11.650550    0.785709
    112          1           0        3.156085   10.441844    1.034916
    113          1           0        3.010813    8.002941    0.623650
    114          1           0        6.797240    4.169856   -0.910019
    115          1           0        9.224816    4.299376   -1.389842
    116          1           0       10.442343    6.448437   -1.229044
    117          1           0        9.243420    8.530330   -0.600151
    118          1           0      -16.327659    0.000220   -0.406765
    119          1           0      -16.414310   -2.400342   -1.037438
    120          1           0      -14.331079   -3.724522   -1.222734
    121          1           0      -12.123462   -2.699424   -0.766301
    122          1           0      -10.568232    2.464647    0.763162
    123          1           0      -11.839928    4.547039    1.189711
    124          1           0      -14.304423    4.604059    0.964410
    125          1           0      -15.557080    2.557829    0.323011
    126         17           0       -2.347257   -5.787637    0.198806
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           0.0230094           0.0074953           0.0056912
 Standard basis: 6-31G(d,p) (6D, 7F)
 There are  1434 symmetry adapted cartesian basis functions of A   symmetry.
 There are  1434 symmetry adapted basis functions of A   symmetry.
  1434 basis functions,  2586 primitive gaussians,  1434 cartesian basis functions
   271 alpha electrons      271 beta electrons
       nuclear repulsion energy     10549.6959685739 Hartrees.
 NAtoms=  126 NActive=  126 NUniq=  126 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=T Big=T
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 One-electron integrals computed using PRISM.
 NBasis=  1434 RedAO= T EigKep=  1.50D-04  NBF=  1434
 NBsUse=  1434 1.00D-06 EigRej= -1.00D+00 NBFU=  1434
 Initial guess from the checkpoint file:  "ph.chk"
 B after Tr=    -0.000000    0.000000   -0.000000
         Rot=    1.000000   -0.000005   -0.000000   -0.000001 Ang=  -0.00 deg.
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 SCF Done:  E(RB3LYP) =  -3581.78142298     A.U. after    6 cycles
            NFock=  6  Conv=0.52D-08     -V/T= 2.0089
 Calling FoFJK, ICntrl=      2127 FMM=T ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000005111   -0.000002510    0.000000216
      2        6          -0.000001672    0.000001403    0.000005450
      3        6           0.000000322   -0.000002714    0.000000809
      4        6          -0.000000411    0.000002399   -0.000002541
      5        6           0.000003761   -0.000003276    0.000001592
      6        6          -0.000003752    0.000001796   -0.000004137
      7        6           0.000003942    0.000000894   -0.000000768
      8        6          -0.000004375    0.000003583    0.000004025
      9        6           0.000000109    0.000007806   -0.000005691
     10        6          -0.000001322   -0.000004260   -0.000001013
     11        6          -0.000002988   -0.000002098   -0.000004405
     12        6           0.000006224    0.000005224    0.000000676
     13        6          -0.000001600   -0.000001689    0.000002594
     14        6           0.000002493   -0.000002330    0.000000898
     15        7          -0.000006743   -0.000013434    0.000011084
     16        6           0.000009416   -0.000007523   -0.000000179
     17        6          -0.000013520    0.000010516   -0.000003249
     18        7           0.000011711   -0.000003913    0.000000710
     19        6          -0.000002316   -0.000001407    0.000001074
     20        6           0.000000747    0.000006346   -0.000000427
     21        6           0.000001885   -0.000003705    0.000000192
     22        6           0.000001809    0.000000563    0.000000094
     23        6          -0.000004743    0.000001982   -0.000000857
     24        6          -0.000006509   -0.000003868   -0.000000521
     25        6          -0.000000567   -0.000000825   -0.000000095
     26        6           0.000002779    0.000002605   -0.000002417
     27        6          -0.000001439   -0.000000247    0.000001114
     28        6          -0.000008562   -0.000004795    0.000000544
     29        6          -0.000000815   -0.000001281   -0.000000599
     30        6           0.000003735    0.000001430    0.000002587
     31        6           0.000001112   -0.000001495    0.000002754
     32        6           0.000000471   -0.000000020   -0.000000968
     33        6          -0.000010732    0.000004557   -0.000002608
     34        6          -0.000001027    0.000000953    0.000000875
     35        6           0.000004261   -0.000000726   -0.000001837
     36        6          -0.000002990   -0.000001913    0.000000968
     37        6           0.000001481    0.000003349    0.000000475
     38        6           0.000006165    0.000003421    0.000001020
     39        6           0.000000047   -0.000000301    0.000000486
     40        6          -0.000001276    0.000000558   -0.000000550
     41        7           0.000003877   -0.000001476    0.000002138
     42        7           0.000001705    0.000000475   -0.000001374
     43        7           0.000003435   -0.000000463   -0.000004428
     44        6           0.000002708    0.000005603    0.000000337
     45        6          -0.000001873    0.000000093    0.000002810
     46        6          -0.000001076   -0.000001779   -0.000002477
     47        6           0.000006399   -0.000000243    0.000000880
     48        6           0.000004892    0.000000030   -0.000000401
     49        6          -0.000001417    0.000000701    0.000001796
     50        6          -0.000001075    0.000000429   -0.000002349
     51        6           0.000002529   -0.000004446    0.000000280
     52        6          -0.000002994   -0.000007116   -0.000001109
     53        6           0.000003506   -0.000001290   -0.000005547
     54        6          -0.000000132    0.000004134    0.000006137
     55        6          -0.000009119    0.000001675    0.000004144
     56        6           0.000000080   -0.000000518    0.000001559
     57        6          -0.000001116   -0.000000063   -0.000000400
     58        6           0.000000387    0.000001287    0.000000885
     59        6          -0.000000473   -0.000000487    0.000000045
     60        6          -0.000000590   -0.000000485   -0.000000366
     61        6           0.000001565   -0.000000112   -0.000000674
     62        6          -0.000000541   -0.000001050    0.000000554
     63        6          -0.000000331    0.000000003   -0.000001450
     64        6          -0.000000766   -0.000000571    0.000001060
     65        6          -0.000000295    0.000001033   -0.000000610
     66        6           0.000001220    0.000000153    0.000000870
     67        6          -0.000000787    0.000000192    0.000000096
     68        6          -0.000000472    0.000000487   -0.000000069
     69        6           0.000000609   -0.000001359   -0.000000704
     70        6          -0.000001163   -0.000000407    0.000000221
     71        6           0.000000195    0.000000654   -0.000001146
     72        6           0.000000641   -0.000000371   -0.000003198
     73        6           0.000001132    0.000000159    0.000000303
     74        6          -0.000000211   -0.000001395   -0.000000686
     75        6           0.000000399    0.000000036   -0.000001959
     76        6           0.000000481   -0.000000312    0.000000755
     77        6          -0.000001389    0.000000764    0.000000651
     78        6           0.000000377    0.000000991   -0.000000496
     79        6          -0.000000107    0.000000629    0.000002818
     80        1           0.000000305    0.000012336   -0.000004172
     81        1          -0.000001362   -0.000000731    0.000000790
     82        1          -0.000000817    0.000000458   -0.000000351
     83        1          -0.000000629    0.000000330    0.000000734
     84        1          -0.000001267    0.000000263   -0.000002264
     85        1          -0.000000819   -0.000000118    0.000000770
     86        1           0.000000534   -0.000000738   -0.000001028
     87        1          -0.000000362    0.000000024    0.000000010
     88        1          -0.000000528   -0.000001186   -0.000000849
     89        1          -0.000000350    0.000000148    0.000000102
     90        1           0.000000272   -0.000000063    0.000000007
     91        1           0.000000810   -0.000000491   -0.000000143
     92        1          -0.000000007    0.000000894   -0.000000044
     93        1           0.000000241    0.000000227    0.000000029
     94        1           0.000000170   -0.000000011    0.000000272
     95        1           0.000000582    0.000000416    0.000000166
     96        1           0.000000006   -0.000000944    0.000000026
     97        1          -0.000000021   -0.000000292    0.000000000
     98        1           0.000000975    0.000000402   -0.000000469
     99        1          -0.000000084   -0.000000974   -0.000000199
    100        1          -0.000000808    0.000000603   -0.000000180
    101        1           0.000000463    0.000000658    0.000000568
    102        1           0.000000230    0.000000032   -0.000000017
    103        1           0.000000239   -0.000000094    0.000000207
    104        1           0.000000330   -0.000000520   -0.000000435
    105        1          -0.000000278    0.000000727    0.000000248
    106        1           0.000000628   -0.000000625   -0.000000024
    107        1          -0.000000168    0.000000449    0.000000540
    108        1           0.000000148    0.000000120   -0.000000035
    109        1           0.000000175    0.000000083    0.000000234
    110        1           0.000000077   -0.000000093   -0.000000118
    111        1          -0.000000071   -0.000000248    0.000000031
    112        1          -0.000000233   -0.000000517   -0.000000535
    113        1           0.000000383    0.000000633    0.000000234
    114        1          -0.000000317   -0.000000788   -0.000000295
    115        1           0.000000181    0.000000398    0.000000452
    116        1           0.000000148    0.000000030   -0.000000073
    117        1           0.000000040   -0.000000194    0.000000016
    118        1          -0.000000237    0.000000125    0.000000334
    119        1          -0.000000212    0.000000051   -0.000000137
    120        1          -0.000000173    0.000000554    0.000000378
    121        1           0.000000259   -0.000000456   -0.000000111
    122        1          -0.000000725    0.000000421    0.000000292
    123        1           0.000000276   -0.000000369   -0.000000548
    124        1          -0.000000199   -0.000000107    0.000000050
    125        1          -0.000000145   -0.000000105   -0.000000356
    126       17           0.000001912   -0.000001362   -0.000000378
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000013520 RMS     0.000002683

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.000009967 RMS     0.000001197
 Search for a local minimum.
 Step number  25 out of a maximum of  756
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points   13   14   15   16   17
                                                     18   19   20   21   22
                                                     23   24   25
 DE= -2.25D-08 DEPred=-1.54D-08 R= 1.46D+00
 Trust test= 1.46D+00 RLast= 1.67D-03 DXMaxT set to 3.00D+00
 ITU=  0  0  0  0  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1
 ITU=  1  1  0  1  0
     Eigenvalues ---    0.00175   0.00493   0.00747   0.00802   0.01525
     Eigenvalues ---    0.01887   0.02389   0.02577   0.02654   0.02675
     Eigenvalues ---    0.02692   0.02696   0.02703   0.02706   0.02707
     Eigenvalues ---    0.02708   0.02710   0.02716   0.02719   0.02729
     Eigenvalues ---    0.02735   0.02747   0.02757   0.02760   0.02768
     Eigenvalues ---    0.02769   0.02771   0.02772   0.02777   0.02786
     Eigenvalues ---    0.02786   0.02787   0.02791   0.02792   0.02792
     Eigenvalues ---    0.02792   0.02793   0.02793   0.02794   0.02797
     Eigenvalues ---    0.02799   0.02802   0.02802   0.02802   0.02804
     Eigenvalues ---    0.02804   0.02806   0.02808   0.02808   0.02809
     Eigenvalues ---    0.02809   0.02810   0.02812   0.02816   0.02818
     Eigenvalues ---    0.02818   0.02818   0.02819   0.02819   0.02820
     Eigenvalues ---    0.02829   0.02834   0.02837   0.02840   0.02844
     Eigenvalues ---    0.02845   0.02845   0.02845   0.02845   0.02845
     Eigenvalues ---    0.02849   0.02857   0.02862   0.02867   0.02868
     Eigenvalues ---    0.02868   0.02868   0.02871   0.02872   0.02872
     Eigenvalues ---    0.02876   0.02877   0.02877   0.02877   0.02877
     Eigenvalues ---    0.02882   0.02882   0.02884   0.02884   0.02885
     Eigenvalues ---    0.02885   0.02885   0.02885   0.02885   0.02885
     Eigenvalues ---    0.02888   0.02895   0.02896   0.02896   0.02898
     Eigenvalues ---    0.02898   0.02900   0.02901   0.02901   0.02904
     Eigenvalues ---    0.02910   0.02911   0.02916   0.02934   0.02942
     Eigenvalues ---    0.02943   0.02981   0.03025   0.03026   0.03027
     Eigenvalues ---    0.03078   0.03116   0.03130   0.03136   0.03136
     Eigenvalues ---    0.03151   0.03296   0.03365   0.05455   0.10844
     Eigenvalues ---    0.15498   0.15728   0.15807   0.15905   0.15977
     Eigenvalues ---    0.15981   0.15984   0.15985   0.15989   0.15991
     Eigenvalues ---    0.15992   0.15993   0.15995   0.15996   0.15997
     Eigenvalues ---    0.15997   0.15998   0.15998   0.15998   0.15999
     Eigenvalues ---    0.15999   0.15999   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16001   0.16002   0.16003
     Eigenvalues ---    0.16016   0.16039   0.16058   0.16088   0.16161
     Eigenvalues ---    0.17177   0.21452   0.21785   0.21999   0.22000
     Eigenvalues ---    0.22000   0.22000   0.22000   0.22002   0.22003
     Eigenvalues ---    0.22004   0.22184   0.22444   0.22567   0.22600
     Eigenvalues ---    0.22602   0.22602   0.22603   0.22604   0.22704
     Eigenvalues ---    0.22899   0.22964   0.22970   0.23335   0.23442
     Eigenvalues ---    0.23500   0.23819   0.23953   0.23980   0.24005
     Eigenvalues ---    0.24409   0.24484   0.24486   0.24486   0.24512
     Eigenvalues ---    0.24534   0.24645   0.24761   0.24959   0.24979
     Eigenvalues ---    0.24981   0.24981   0.24982   0.24982   0.24986
     Eigenvalues ---    0.24997   0.24999   0.24999   0.25000   0.25000
     Eigenvalues ---    0.25000   0.25001   0.25004   0.25013   0.25027
     Eigenvalues ---    0.25049   0.25115   0.25306   0.25463   0.26198
     Eigenvalues ---    0.26930   0.33248   0.33252   0.33254   0.33256
     Eigenvalues ---    0.33257   0.33258   0.33283   0.33297   0.33390
     Eigenvalues ---    0.33393   0.33396   0.33399   0.33401   0.33430
     Eigenvalues ---    0.33562   0.33567   0.33570   0.33572   0.33576
     Eigenvalues ---    0.33606   0.33614   0.33625   0.33644   0.33650
     Eigenvalues ---    0.33653   0.33674   0.33694   0.33717   0.33730
     Eigenvalues ---    0.33744   0.33812   0.33825   0.33829   0.33832
     Eigenvalues ---    0.33840   0.33842   0.33896   0.33929   0.33931
     Eigenvalues ---    0.33934   0.33937   0.33941   0.34957   0.34997
     Eigenvalues ---    0.35406   0.36615   0.44442   0.44443   0.44449
     Eigenvalues ---    0.45041   0.47797   0.48380   0.48953   0.48961
     Eigenvalues ---    0.49043   0.49387   0.49458   0.49650   0.49791
     Eigenvalues ---    0.49812   0.49822   0.49835   0.49929   0.49972
     Eigenvalues ---    0.50075   0.50402   0.50408   0.50611   0.50613
     Eigenvalues ---    0.50616   0.50757   0.51484   0.51826   0.52306
     Eigenvalues ---    0.52825   0.53140   0.53710   0.53914   0.54094
     Eigenvalues ---    0.54109   0.54201   0.54204   0.54205   0.54635
     Eigenvalues ---    0.54968   0.55080   0.55196   0.55271   0.55312
     Eigenvalues ---    0.55337   0.55342   0.55358   0.55383   0.55415
     Eigenvalues ---    0.55508   0.55591   0.55691   0.55709   0.55713
     Eigenvalues ---    0.55947   0.55951   0.56116   0.56144   0.56145
     Eigenvalues ---    0.56147   0.56157   0.56259   0.56283   0.56290
     Eigenvalues ---    0.56408   0.56661   0.56664   0.56669   0.56670
     Eigenvalues ---    0.56676   0.56724   0.56742   0.56802   0.56880
     Eigenvalues ---    0.56905   0.56911   0.57063   0.57169   0.57171
     Eigenvalues ---    0.57172   0.57182   0.57183   0.58748   0.62756
     Eigenvalues ---    0.63766   0.65985   0.66057   0.67690   0.67695
     Eigenvalues ---    0.67702   0.68014   0.68505   0.70024   0.70093
     Eigenvalues ---    0.73959   0.76012
 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF=       -3 using points:    25   24   23   22   21   20   19   18   17   16
 RFO step:  Lambda=-1.59332735D-08.
 DIIS inversion failure, remove point  10.
 DIIS inversion failure, remove point   9.
 DIIS inversion failure, remove point   8.
 DIIS inversion failure, remove point   7.
 DIIS inversion failure, remove point   6.
 DIIS inversion failure, remove point   5.
 DIIS inversion failure, remove point   4.
 DIIS inversion failure, remove point   3.
 RFO-DIIS uses    2 points instead of   10
 DidBck=F Rises=F RFO-DIIS coefs:    1.61936   -0.61936    0.00000    0.00000    0.00000
                  RFO-DIIS coefs:    0.00000    0.00000    0.00000    0.00000    0.00000
 Iteration  1 RMS(Cart)=  0.00049316 RMS(Int)=  0.00000003
 Iteration  2 RMS(Cart)=  0.00000013 RMS(Int)=  0.00000000
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        2.63841  -0.00000  -0.00000  -0.00000  -0.00001   2.63841
    R2        2.66660  -0.00000  -0.00000  -0.00000  -0.00000   2.66660
    R3        2.80165   0.00000   0.00001   0.00001   0.00002   2.80167
    R4        2.65884  -0.00000   0.00000  -0.00000   0.00000   2.65884
    R5        2.04518   0.00000  -0.00000   0.00001   0.00000   2.04518
    R6        2.67234   0.00000  -0.00001   0.00000  -0.00000   2.67234
    R7        2.78318  -0.00000   0.00001  -0.00001   0.00000   2.78319
    R8        2.65969  -0.00000  -0.00000  -0.00000  -0.00000   2.65969
    R9        2.75833   0.00000   0.00000   0.00000   0.00001   2.75834
   R10        2.60941   0.00000   0.00000   0.00001   0.00001   2.60942
   R11        2.04705  -0.00000   0.00000  -0.00000  -0.00000   2.04705
   R12        2.05057   0.00000   0.00000  -0.00000   0.00000   2.05057
   R13        2.69568  -0.00000  -0.00002  -0.00000  -0.00002   2.69565
   R14        2.65185   0.00000   0.00001  -0.00000   0.00001   2.65186
   R15        2.74375   0.00000   0.00001   0.00000   0.00001   2.74376
   R16        2.66943   0.00000   0.00001   0.00001   0.00001   2.66944
   R17        2.72943  -0.00000  -0.00002  -0.00001  -0.00003   2.72940
   R18        2.54155   0.00000  -0.00001   0.00000  -0.00001   2.54155
   R19        2.50453   0.00000  -0.00000   0.00001   0.00000   2.50453
   R20        2.64109  -0.00000  -0.00000  -0.00001  -0.00001   2.64108
   R21        2.04475   0.00000  -0.00000   0.00001   0.00000   2.04476
   R22        2.66200   0.00000   0.00000   0.00000   0.00000   2.66200
   R23        2.79847   0.00000   0.00001   0.00001   0.00002   2.79849
   R24        2.60952   0.00000  -0.00000   0.00000   0.00000   2.60953
   R25        2.04982   0.00000   0.00000  -0.00000   0.00000   2.04982
   R26        2.05462   0.00000   0.00000  -0.00000   0.00000   2.05462
   R27        2.57882   0.00000   0.00002   0.00000   0.00002   2.57883
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   D358       3.13980   0.00000  -0.00001   0.00000  -0.00000   3.13980
   D359       3.12816   0.00000  -0.00001   0.00001  -0.00000   3.12815
   D360      -0.00735   0.00000  -0.00002   0.00000  -0.00002  -0.00737
   D361       0.00840  -0.00000  -0.00000   0.00000  -0.00000   0.00840
   D362      -3.12960   0.00000   0.00001  -0.00000   0.00001  -3.12959
   D363      -3.13926   0.00000   0.00001   0.00001   0.00002  -3.13924
   D364       0.00593   0.00000   0.00002   0.00000   0.00002   0.00595
   D365       0.00557  -0.00000   0.00000  -0.00001  -0.00000   0.00557
   D366      -3.12766  -0.00000  -0.00001  -0.00001  -0.00002  -3.12768
   D367      -3.13960  -0.00000  -0.00000  -0.00001  -0.00001  -3.13961
   D368       0.01036  -0.00000  -0.00002  -0.00001  -0.00003   0.01033
   D369       0.00553  -0.00000   0.00001  -0.00001   0.00000   0.00553
   D370      -3.13996  -0.00000  -0.00000  -0.00001  -0.00001  -3.13998
   D371      -3.12725  -0.00000  -0.00000  -0.00001  -0.00002  -3.12726
   D372       0.01045  -0.00000  -0.00002  -0.00001  -0.00003   0.01042
   D373       0.00843  -0.00000  -0.00000  -0.00000  -0.00000   0.00843
   D374      -3.13949   0.00000   0.00001   0.00000   0.00001  -3.13947
   D375      -3.12925   0.00000   0.00001  -0.00000   0.00001  -3.12923
   D376       0.00602   0.00000   0.00002   0.00001   0.00003   0.00605
   D377      -0.00788   0.00000   0.00000   0.00001   0.00001  -0.00787
   D378       3.12793   0.00000  -0.00001   0.00001  -0.00000   3.12792
   D379       3.14006   0.00000  -0.00001   0.00000  -0.00001   3.14005
   D380      -0.00732   0.00000  -0.00002   0.00000  -0.00002  -0.00734
         Item               Value     Threshold  Converged?
 Maximum Force            0.000010     0.000450     YES
 RMS     Force            0.000001     0.000300     YES
 Maximum Displacement     0.003267     0.001800     NO 
 RMS     Displacement     0.000493     0.001200     YES
 Predicted change in Energy=-7.966627D-09
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C74H46ClN5
 Framework group  C1[X(C74H46ClN5)]
 Deg. of freedom   372
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        1.256303    2.444096   -0.054612
      2          6           0        1.596558    1.090262   -0.028304
      3          6           0        0.629822    0.068310   -0.002349
      4          6           0       -0.733284    0.444673   -0.011893
      5          6           0       -1.082753    1.807710   -0.041950
      6          6           0       -0.111876    2.789419   -0.061412
      7          6           0        0.992561   -1.358925    0.021232
      8          6           0       -0.016909   -2.366559    0.043228
      9          6           0       -1.413749   -1.970388    0.041257
     10          6           0       -1.779079   -0.573382    0.009339
     11          6           0        2.334686   -1.768581    0.033075
     12          6           0        2.715624   -3.113060    0.056426
     13          6           0        1.699277   -4.088326    0.072274
     14          6           0        0.366811   -3.725843    0.067090
     15          7           0       -2.416530   -2.866178    0.069972
     16          6           0       -3.728719   -2.491483    0.062219
     17          6           0       -4.030161   -1.097891    0.018397
     18          7           0       -3.043236   -0.175500   -0.002019
     19          6           0       -4.774825   -3.444443    0.093577
     20          6           0       -6.074394   -2.997611    0.080305
     21          6           0       -6.411800   -1.607562    0.038124
     22          6           0       -5.383334   -0.681429    0.009753
     23          6           0        2.305795    3.491035   -0.077479
     24          6           0        4.145450   -3.498449    0.067760
     25          6           0       -7.830928   -1.183088    0.022958
     26          6           0        4.584075   -4.622145    0.789650
     27          6           0        5.926753   -4.983244    0.816468
     28          6           0        6.872708   -4.239288    0.098138
     29          6           0        6.448256   -3.124222   -0.637369
     30          6           0        5.106816   -2.757553   -0.641358
     31          6           0        2.136535    4.668643   -0.825552
     32          6           0        3.122402    5.649332   -0.861881
     33          6           0        4.305366    5.488359   -0.128280
     34          6           0        4.483295    4.325010    0.632384
     35          6           0        3.500514    3.340704    0.647221
     36          6           0       -8.809417   -1.893949    0.738966
     37          6           0      -10.139258   -1.486501    0.741828
     38          6           0      -10.535164   -0.362407    0.004558
     39          6           0       -9.572050    0.348678   -0.724953
     40          6           0       -8.241311   -0.053345   -0.705734
     41          7           0        5.307493    6.488941   -0.153947
     42          7           0        8.238945   -4.610319    0.112742
     43          7           0      -11.889522    0.048147   -0.006129
     44          6           0        8.747031   -5.885562   -0.176089
     45          6           0       10.159018   -5.855518   -0.055156
     46          6           0       10.521134   -4.506115    0.326067
     47          6           0        9.315643   -3.765779    0.418695
     48          6           0        6.661676    6.286631   -0.455975
     49          6           0        7.340388    7.528846   -0.378373
     50          6           0        6.355556    8.524989   -0.010764
     51          6           0        5.114930    7.851080    0.117429
     52          6           0      -12.357668    1.340881    0.271666
     53          6           0      -13.770614    1.351803    0.158228
     54          6           0      -14.175047    0.009916   -0.206831
     55          6           0      -12.993256   -0.767375   -0.297773
     56          6           0       11.740207   -3.878278    0.605331
     57          6           0       11.743023   -2.537169    0.976993
     58          6           0       10.538011   -1.822531    1.080392
     59          6           0        9.310890   -2.423400    0.807354
     60          6           0        8.071643   -7.043267   -0.571715
     61          6           0        8.832053   -8.183395   -0.822739
     62          6           0       10.230783   -8.175389   -0.691366
     63          6           0       10.899093   -7.015015   -0.312993
     64          6           0        6.421197    9.902149    0.229454
     65          6           0        5.264207   10.582042    0.597677
     66          6           0        4.046086    9.895881    0.735964
     67          6           0        3.953029    8.525503    0.502233
     68          6           0        7.324242    5.113732   -0.827788
     69          6           0        8.688049    5.197798   -1.100229
     70          6           0        9.379187    6.417765   -1.012249
     71          6           0        8.710767    7.585353   -0.656627
     72          6           0      -15.414195   -0.583436   -0.473114
     73          6           0      -15.459281   -1.927573   -0.830411
     74          6           0      -14.276925   -2.679297   -0.932580
     75          6           0      -13.030688   -2.113129   -0.672479
     76          6           0      -11.646402    2.481928    0.652491
     77          6           0      -12.371111    3.646843    0.895841
     78          6           0      -13.769969    3.679221    0.771292
     79          6           0      -14.474326    2.535326    0.407975
     80          1           0       -2.267874   -3.974368    0.113949
     81          1           0        2.647932    0.835372   -0.058976
     82          1           0       -2.134511    2.067001   -0.038745
     83          1           0       -0.403261    3.834657   -0.054876
     84          1           0        3.118609   -1.023099    0.056076
     85          1           0        1.955764   -5.142228    0.061565
     86          1           0       -0.382013   -4.514092    0.074696
     87          1           0       -4.520702   -4.500032    0.117116
     88          1           0       -6.875805   -3.728961    0.075477
     89          1           0       -5.574962    0.385590    0.008261
     90          1           0        3.871623   -5.197275    1.372387
     91          1           0        6.252576   -5.830257    1.410329
     92          1           0        7.169915   -2.565246   -1.223146
     93          1           0        4.794164   -1.910127   -1.243597
     94          1           0        1.239196    4.800648   -1.422044
     95          1           0        2.991224    6.534191   -1.475309
     96          1           0        5.382274    4.209507    1.228205
     97          1           0        3.643905    2.461349    1.267544
     98          1           0       -8.522089   -2.751851    1.338699
     99          1           0      -10.873476   -2.023931    1.331953
    100          1           0       -9.877357    1.199324   -1.324480
    101          1           0       -7.516177    0.492541   -1.301147
    102          1           0       12.671246   -4.433613    0.537723
    103          1           0       12.682408   -2.038721    1.194968
    104          1           0       10.559400   -0.779797    1.383175
    105          1           0        8.385380   -1.866800    0.902536
    106          1           0        6.993895   -7.057215   -0.688202
    107          1           0        8.329123   -9.095593   -1.129570
    108          1           0       10.793181   -9.081822   -0.892497
    109          1           0       11.981555   -7.006244   -0.223407
    110          1           0        7.365018   10.431247    0.134278
    111          1           0        5.301874   11.650555    0.785377
    112          1           0        3.156129   10.441861    1.034661
    113          1           0        3.010832    8.002960    0.623429
    114          1           0        6.797248    4.169814   -0.910197
    115          1           0        9.224813    4.299324   -1.390045
    116          1           0       10.442355    6.448382   -1.229250
    117          1           0        9.243436    8.530286   -0.600406
    118          1           0      -16.327662    0.000435   -0.406407
    119          1           0      -16.414369   -2.399921   -1.037848
    120          1           0      -14.331161   -3.724076   -1.223620
    121          1           0      -12.123525   -2.699181   -0.766850
    122          1           0      -10.568186    2.464361    0.764338
    123          1           0      -11.839841    4.546629    1.191580
    124          1           0      -14.304334    4.603786    0.966242
    125          1           0      -15.557029    2.557793    0.324173
    126         17           0       -2.347326   -5.787699    0.197644
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           0.0230095           0.0074953           0.0056912
 Standard basis: 6-31G(d,p) (6D, 7F)
 There are  1434 symmetry adapted cartesian basis functions of A   symmetry.
 There are  1434 symmetry adapted basis functions of A   symmetry.
  1434 basis functions,  2586 primitive gaussians,  1434 cartesian basis functions
   271 alpha electrons      271 beta electrons
       nuclear repulsion energy     10549.6979774126 Hartrees.
 NAtoms=  126 NActive=  126 NUniq=  126 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=T Big=T
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 One-electron integrals computed using PRISM.
 NBasis=  1434 RedAO= T EigKep=  1.50D-04  NBF=  1434
 NBsUse=  1434 1.00D-06 EigRej= -1.00D+00 NBFU=  1434
 Initial guess from the checkpoint file:  "ph.chk"
 B after Tr=     0.000000    0.000000   -0.000000
         Rot=    1.000000   -0.000002    0.000000    0.000000 Ang=  -0.00 deg.
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 SCF Done:  E(RB3LYP) =  -3581.78142299     A.U. after    6 cycles
            NFock=  6  Conv=0.36D-08     -V/T= 2.0089
 Calling FoFJK, ICntrl=      2127 FMM=T ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000000983    0.000001880   -0.000000299
      2        6           0.000000379   -0.000000270    0.000002984
      3        6          -0.000002162   -0.000005537    0.000000562
      4        6           0.000002994    0.000001666   -0.000001141
      5        6           0.000001021   -0.000001338    0.000001475
      6        6          -0.000000740    0.000000245   -0.000003152
      7        6          -0.000002725    0.000005211   -0.000001455
      8        6           0.000003719   -0.000000127    0.000001868
      9        6          -0.000005995   -0.000005489    0.000000134
     10        6          -0.000002146    0.000002101   -0.000000661
     11        6           0.000000762    0.000000711   -0.000002470
     12        6          -0.000001034   -0.000001684    0.000000249
     13        6           0.000000362   -0.000000496    0.000002677
     14        6          -0.000000065    0.000000397    0.000000348
     15        7           0.000009796   -0.000005458    0.000003650
     16        6          -0.000000527   -0.000001034    0.000000905
     17        6          -0.000005738    0.000005792   -0.000001537
     18        7           0.000005345   -0.000001693   -0.000000969
     19        6          -0.000001405   -0.000000915   -0.000000385
     20        6           0.000001015    0.000003167    0.000000817
     21        6          -0.000000159   -0.000003662   -0.000000001
     22        6          -0.000000042    0.000000023    0.000000137
     23        6           0.000001957   -0.000000859    0.000000340
     24        6           0.000001289    0.000000503   -0.000000366
     25        6           0.000001259    0.000000573    0.000000001
     26        6          -0.000000143   -0.000000305   -0.000002070
     27        6           0.000000199    0.000000124    0.000000004
     28        6          -0.000002039   -0.000000808    0.000000565
     29        6           0.000000115   -0.000000542    0.000000032
     30        6          -0.000000259    0.000000430    0.000002790
     31        6          -0.000000886    0.000000077    0.000001594
     32        6           0.000001200    0.000000064   -0.000000411
     33        6          -0.000004686    0.000001804   -0.000001468
     34        6          -0.000000031   -0.000000325    0.000000655
     35        6           0.000000382   -0.000000024   -0.000002180
     36        6          -0.000000471   -0.000000672    0.000000819
     37        6           0.000000206    0.000000653   -0.000000382
     38        6           0.000002403    0.000002218    0.000001253
     39        6           0.000000295   -0.000000370    0.000000381
     40        6          -0.000000956    0.000000837    0.000000063
     41        7          -0.000002882    0.000001949    0.000000835
     42        7          -0.000005566   -0.000003595   -0.000000965
     43        7           0.000005302    0.000001950   -0.000003169
     44        6           0.000003598    0.000008022    0.000001205
     45        6          -0.000002917   -0.000000171    0.000000761
     46        6          -0.000001510   -0.000002685   -0.000000570
     47        6           0.000008977   -0.000000672   -0.000000251
     48        6           0.000007479    0.000000297    0.000000234
     49        6          -0.000001826    0.000001869   -0.000000039
     50        6          -0.000002568    0.000000361   -0.000000709
     51        6           0.000003707   -0.000006621    0.000000332
     52        6          -0.000003190   -0.000007557   -0.000000727
     53        6           0.000003314   -0.000000219   -0.000002265
     54        6           0.000001032    0.000003402    0.000002634
     55        6          -0.000008894    0.000000775    0.000002686
     56        6          -0.000000475    0.000001094   -0.000000635
     57        6          -0.000001355   -0.000001617    0.000001271
     58        6           0.000001628    0.000001116   -0.000000227
     59        6          -0.000001237    0.000000498    0.000000961
     60        6          -0.000000086   -0.000001512   -0.000001087
     61        6           0.000001863    0.000000888    0.000000468
     62        6          -0.000002054   -0.000000515   -0.000001113
     63        6           0.000000893   -0.000001149    0.000000782
     64        6           0.000000710    0.000000812   -0.000000853
     65        6          -0.000002245    0.000000348    0.000000856
     66        6           0.000001693   -0.000000802   -0.000000265
     67        6          -0.000000429    0.000001350    0.000000879
     68        6          -0.000001165   -0.000000582   -0.000000940
     69        6           0.000001474   -0.000001079    0.000000608
     70        6          -0.000001312    0.000001385   -0.000001407
     71        6          -0.000000548   -0.000001113    0.000000755
     72        6           0.000000767   -0.000001442   -0.000000301
     73        6           0.000001103    0.000001688   -0.000001119
     74        6          -0.000001204   -0.000001242    0.000000260
     75        6           0.000001058   -0.000000457   -0.000001803
     76        6           0.000000001    0.000000940    0.000000962
     77        6          -0.000001754   -0.000000389   -0.000000380
     78        6           0.000001722    0.000000411    0.000001026
     79        6          -0.000001066    0.000001392    0.000000135
     80        1          -0.000002874    0.000006299   -0.000002132
     81        1          -0.000000659    0.000000340    0.000000310
     82        1          -0.000000076    0.000000166   -0.000000441
     83        1          -0.000000657    0.000000390    0.000001026
     84        1          -0.000000727   -0.000000601   -0.000001109
     85        1          -0.000000654   -0.000000256   -0.000000483
     86        1           0.000000402   -0.000000069   -0.000000188
     87        1          -0.000000327   -0.000000062    0.000000440
     88        1          -0.000000092   -0.000000674   -0.000001508
     89        1           0.000000146    0.000000307   -0.000000234
     90        1           0.000000544    0.000000235    0.000000137
     91        1          -0.000000020   -0.000000229    0.000000105
     92        1          -0.000000248    0.000000114   -0.000000062
     93        1           0.000000590    0.000000534   -0.000000301
     94        1           0.000000323   -0.000000023    0.000000183
     95        1           0.000000060    0.000000234    0.000000009
     96        1          -0.000000131   -0.000000383   -0.000000009
     97        1           0.000000235   -0.000000471    0.000000192
     98        1           0.000000287    0.000000245   -0.000000578
     99        1           0.000000189   -0.000000194    0.000000254
    100        1          -0.000000354    0.000000425   -0.000000367
    101        1           0.000000000    0.000000212    0.000000365
    102        1           0.000000247   -0.000000162    0.000000560
    103        1           0.000000329    0.000000011   -0.000000555
    104        1          -0.000000060   -0.000000165    0.000000268
    105        1           0.000000199    0.000000161   -0.000000019
    106        1           0.000000327    0.000000070    0.000000198
    107        1          -0.000000037   -0.000000026   -0.000000186
    108        1           0.000000310    0.000000206    0.000000696
    109        1           0.000000072    0.000000228   -0.000000349
    110        1          -0.000000031   -0.000000346    0.000000453
    111        1           0.000000249   -0.000000337   -0.000000656
    112        1          -0.000000173   -0.000000066    0.000000211
    113        1           0.000000273    0.000000018   -0.000000207
    114        1           0.000000057   -0.000000286    0.000000201
    115        1          -0.000000028   -0.000000005   -0.000000313
    116        1           0.000000223   -0.000000127    0.000000624
    117        1           0.000000287   -0.000000001   -0.000000481
    118        1          -0.000000274    0.000000230   -0.000000328
    119        1          -0.000000293   -0.000000031    0.000000467
    120        1           0.000000108    0.000000293   -0.000000185
    121        1          -0.000000176   -0.000000037    0.000000137
    122        1          -0.000000238   -0.000000058   -0.000000013
    123        1           0.000000178    0.000000085    0.000000106
    124        1          -0.000000267   -0.000000108   -0.000000611
    125        1          -0.000000031   -0.000000138    0.000000186
    126       17          -0.000000757    0.000000059    0.000000011
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000009796 RMS     0.000001877

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.000005929 RMS     0.000000868
 Search for a local minimum.
 Step number  26 out of a maximum of  756
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points   13   14   15   16   17
                                                     18   19   20   21   22
                                                     23   24   26
 DE= -1.10D-08 DEPred=-7.97D-09 R= 1.38D+00
 Trust test= 1.38D+00 RLast= 1.17D-03 DXMaxT set to 3.00D+00
 ITU=  0  0  0  0  0  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1
 ITU=  1  1  1  0  1  0
     Eigenvalues ---    0.00174   0.00479   0.00737   0.00821   0.01262
     Eigenvalues ---    0.01816   0.02273   0.02577   0.02654   0.02675
     Eigenvalues ---    0.02692   0.02696   0.02701   0.02706   0.02707
     Eigenvalues ---    0.02708   0.02710   0.02716   0.02719   0.02728
     Eigenvalues ---    0.02733   0.02749   0.02757   0.02760   0.02768
     Eigenvalues ---    0.02769   0.02772   0.02775   0.02778   0.02786
     Eigenvalues ---    0.02786   0.02787   0.02790   0.02791   0.02792
     Eigenvalues ---    0.02792   0.02793   0.02793   0.02793   0.02796
     Eigenvalues ---    0.02800   0.02802   0.02802   0.02803   0.02804
     Eigenvalues ---    0.02804   0.02805   0.02808   0.02808   0.02809
     Eigenvalues ---    0.02809   0.02810   0.02810   0.02815   0.02818
     Eigenvalues ---    0.02818   0.02818   0.02819   0.02819   0.02823
     Eigenvalues ---    0.02825   0.02835   0.02837   0.02843   0.02844
     Eigenvalues ---    0.02845   0.02845   0.02845   0.02845   0.02846
     Eigenvalues ---    0.02848   0.02856   0.02862   0.02868   0.02868
     Eigenvalues ---    0.02868   0.02868   0.02871   0.02872   0.02872
     Eigenvalues ---    0.02876   0.02877   0.02877   0.02877   0.02877
     Eigenvalues ---    0.02882   0.02883   0.02884   0.02884   0.02885
     Eigenvalues ---    0.02885   0.02885   0.02885   0.02885   0.02885
     Eigenvalues ---    0.02887   0.02895   0.02896   0.02896   0.02898
     Eigenvalues ---    0.02898   0.02900   0.02901   0.02901   0.02906
     Eigenvalues ---    0.02909   0.02911   0.02916   0.02934   0.02943
     Eigenvalues ---    0.02945   0.02980   0.03025   0.03026   0.03027
     Eigenvalues ---    0.03070   0.03106   0.03128   0.03136   0.03136
     Eigenvalues ---    0.03153   0.03298   0.03305   0.05462   0.10880
     Eigenvalues ---    0.15438   0.15733   0.15796   0.15931   0.15981
     Eigenvalues ---    0.15981   0.15985   0.15985   0.15989   0.15990
     Eigenvalues ---    0.15992   0.15993   0.15995   0.15996   0.15997
     Eigenvalues ---    0.15997   0.15998   0.15998   0.15999   0.15999
     Eigenvalues ---    0.15999   0.15999   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16001   0.16002   0.16005
     Eigenvalues ---    0.16011   0.16033   0.16056   0.16099   0.16160
     Eigenvalues ---    0.17268   0.21492   0.21991   0.21999   0.22000
     Eigenvalues ---    0.22000   0.22000   0.22001   0.22003   0.22004
     Eigenvalues ---    0.22078   0.22219   0.22448   0.22592   0.22600
     Eigenvalues ---    0.22602   0.22602   0.22604   0.22620   0.22704
     Eigenvalues ---    0.22841   0.22961   0.22966   0.23344   0.23449
     Eigenvalues ---    0.23503   0.23842   0.23951   0.23999   0.24018
     Eigenvalues ---    0.24398   0.24484   0.24486   0.24487   0.24517
     Eigenvalues ---    0.24535   0.24648   0.24744   0.24942   0.24980
     Eigenvalues ---    0.24981   0.24981   0.24981   0.24982   0.24988
     Eigenvalues ---    0.24997   0.24998   0.24999   0.24999   0.25000
     Eigenvalues ---    0.25000   0.25001   0.25004   0.25011   0.25026
     Eigenvalues ---    0.25037   0.25118   0.25292   0.25524   0.26170
     Eigenvalues ---    0.27156   0.33248   0.33252   0.33254   0.33256
     Eigenvalues ---    0.33257   0.33260   0.33285   0.33298   0.33390
     Eigenvalues ---    0.33393   0.33396   0.33399   0.33401   0.33429
     Eigenvalues ---    0.33562   0.33567   0.33570   0.33572   0.33576
     Eigenvalues ---    0.33611   0.33614   0.33626   0.33644   0.33651
     Eigenvalues ---    0.33653   0.33676   0.33695   0.33719   0.33731
     Eigenvalues ---    0.33748   0.33813   0.33829   0.33832   0.33833
     Eigenvalues ---    0.33841   0.33869   0.33897   0.33929   0.33931
     Eigenvalues ---    0.33934   0.33938   0.33942   0.34958   0.34997
     Eigenvalues ---    0.35412   0.36889   0.44442   0.44443   0.44449
     Eigenvalues ---    0.45139   0.48218   0.48639   0.48895   0.48963
     Eigenvalues ---    0.48974   0.49312   0.49429   0.49537   0.49804
     Eigenvalues ---    0.49810   0.49826   0.49852   0.49932   0.49969
     Eigenvalues ---    0.50089   0.50403   0.50407   0.50611   0.50613
     Eigenvalues ---    0.50616   0.50867   0.51443   0.51900   0.52303
     Eigenvalues ---    0.52842   0.53149   0.53699   0.54070   0.54102
     Eigenvalues ---    0.54154   0.54202   0.54205   0.54205   0.54650
     Eigenvalues ---    0.54975   0.55035   0.55190   0.55277   0.55311
     Eigenvalues ---    0.55340   0.55341   0.55357   0.55382   0.55415
     Eigenvalues ---    0.55490   0.55592   0.55681   0.55710   0.55713
     Eigenvalues ---    0.55947   0.55951   0.56120   0.56145   0.56147
     Eigenvalues ---    0.56148   0.56197   0.56252   0.56278   0.56289
     Eigenvalues ---    0.56391   0.56661   0.56664   0.56669   0.56670
     Eigenvalues ---    0.56676   0.56698   0.56745   0.56793   0.56905
     Eigenvalues ---    0.56907   0.56920   0.57088   0.57169   0.57171
     Eigenvalues ---    0.57172   0.57182   0.57183   0.58625   0.62851
     Eigenvalues ---    0.63305   0.65926   0.66044   0.67509   0.67693
     Eigenvalues ---    0.67701   0.67714   0.68722   0.70017   0.70100
     Eigenvalues ---    0.73957   0.75717
 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF=       -3 using points:    26   25   24   23   22   21   20   19   18   17
 RFO step:  Lambda=-1.95788734D-09.
 DIIS inversion failure, remove point  10.
 DIIS inversion failure, remove point   9.
 DIIS inversion failure, remove point   8.
 DIIS inversion failure, remove point   7.
 DIIS inversion failure, remove point   6.
 DIIS inversion failure, remove point   5.
 DIIS inversion failure, remove point   4.
 DIIS inversion failure, remove point   3.
 RFO-DIIS uses    2 points instead of   10
 DidBck=F Rises=F RFO-DIIS coefs:    1.32211   -0.32211    0.00000    0.00000    0.00000
                  RFO-DIIS coefs:    0.00000    0.00000    0.00000    0.00000    0.00000
 Iteration  1 RMS(Cart)=  0.00020965 RMS(Int)=  0.00000001
 Iteration  2 RMS(Cart)=  0.00000002 RMS(Int)=  0.00000000
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        2.63841   0.00000  -0.00000   0.00000  -0.00000   2.63841
    R2        2.66660  -0.00000  -0.00000  -0.00000  -0.00000   2.66659
    R3        2.80167  -0.00000   0.00000  -0.00000   0.00000   2.80167
    R4        2.65884  -0.00000   0.00000   0.00000   0.00000   2.65884
    R5        2.04518   0.00000   0.00000   0.00000   0.00000   2.04519
    R6        2.67234   0.00000  -0.00000   0.00001   0.00000   2.67234
    R7        2.78319  -0.00000   0.00000  -0.00001  -0.00000   2.78318
    R8        2.65969  -0.00000  -0.00000  -0.00000  -0.00000   2.65968
    R9        2.75834  -0.00000   0.00000  -0.00000  -0.00000   2.75833
   R10        2.60942   0.00000   0.00000   0.00000   0.00000   2.60942
   R11        2.04705   0.00000  -0.00000   0.00000   0.00000   2.04705
   R12        2.05057   0.00000   0.00000   0.00000   0.00000   2.05057
   R13        2.69565   0.00000  -0.00001   0.00001  -0.00000   2.69565
   R14        2.65186  -0.00000   0.00000   0.00000   0.00000   2.65186
   R15        2.74376  -0.00000   0.00000  -0.00001  -0.00000   2.74376
   R16        2.66944   0.00000   0.00000  -0.00000   0.00000   2.66945
   R17        2.72940   0.00000  -0.00001   0.00000  -0.00000   2.72940
   R18        2.54155   0.00000  -0.00000   0.00000   0.00000   2.54155
   R19        2.50453   0.00000   0.00000   0.00000   0.00000   2.50454
   R20        2.64108   0.00000  -0.00000   0.00000  -0.00000   2.64108
   R21        2.04476   0.00000   0.00000   0.00000   0.00000   2.04476
   R22        2.66200   0.00000   0.00000  -0.00000  -0.00000   2.66200
   R23        2.79849  -0.00000   0.00001  -0.00000   0.00000   2.79849
   R24        2.60953   0.00000   0.00000   0.00000   0.00000   2.60953
   R25        2.04982   0.00000   0.00000   0.00000   0.00000   2.04982
   R26        2.05462   0.00000   0.00000   0.00000   0.00000   2.05462
   R27        2.57883  -0.00000   0.00001  -0.00000   0.00000   2.57884
   R28        2.11457  -0.00000  -0.00002  -0.00003  -0.00004   2.11452
   R29        5.52769  -0.00000   0.00002   0.00001   0.00002   5.52771
   R30        2.69568   0.00000   0.00001   0.00000   0.00001   2.69569
   R31        2.67478  -0.00000  -0.00000  -0.00000  -0.00000   2.67478
   R32        2.55305  -0.00000  -0.00000  -0.00001  -0.00001   2.55304
   R33        2.67554   0.00000   0.00000   0.00000   0.00000   2.67555
   R34        2.59706   0.00000   0.00000   0.00000   0.00000   2.59706
   R35        2.05225   0.00000   0.00000   0.00000   0.00000   2.05225
   R36        2.70426  -0.00000  -0.00000  -0.00000  -0.00000   2.70426
   R37        2.05029   0.00000   0.00000   0.00000   0.00000   2.05029
   R38        2.61594   0.00000  -0.00000   0.00000   0.00000   2.61594
   R39        2.79930   0.00000  -0.00000   0.00000   0.00000   2.79930
   R40        2.04864   0.00000  -0.00000   0.00000   0.00000   2.04864
   R41        2.65574   0.00000  -0.00000  -0.00000  -0.00000   2.65574
   R42        2.65582   0.00000  -0.00000  -0.00000  -0.00000   2.65581
   R43        2.65653   0.00000  -0.00000  -0.00000  -0.00000   2.65653
   R44        2.65639   0.00000  -0.00000   0.00000  -0.00000   2.65639
   R45        2.65601   0.00000  -0.00000  -0.00000  -0.00000   2.65601
   R46        2.65621   0.00000   0.00000   0.00000   0.00000   2.65621
   R47        2.62794  -0.00000   0.00000   0.00000   0.00000   2.62794
   R48        2.05098   0.00000   0.00000   0.00000   0.00000   2.05098
   R49        2.64852   0.00000   0.00000   0.00000   0.00000   2.64852
   R50        2.04951   0.00000   0.00000  -0.00000  -0.00000   2.04951
   R51        2.64865   0.00000   0.00000  -0.00000   0.00000   2.64865
   R52        2.67547  -0.00000  -0.00001  -0.00000  -0.00001   2.67546
   R53        2.62796   0.00000   0.00000   0.00000   0.00000   2.62796
   R54        2.04962   0.00000  -0.00000   0.00000   0.00000   2.04962
   R55        2.05153   0.00000   0.00000   0.00000   0.00000   2.05153
   R56        2.62869  -0.00000   0.00000  -0.00000   0.00000   2.62869
   R57        2.05141   0.00000   0.00000   0.00000   0.00000   2.05142
   R58        2.64797   0.00000   0.00000   0.00000   0.00000   2.64797
   R59        2.04970   0.00000   0.00000   0.00000   0.00000   2.04970
   R60        2.64808   0.00000   0.00000   0.00000   0.00000   2.64808
   R61        2.67654  -0.00000  -0.00001  -0.00000  -0.00001   2.67653
   R62        2.62865   0.00000   0.00000   0.00000   0.00000   2.62865
   R63        2.04973   0.00000   0.00000   0.00000   0.00000   2.04973
   R64        2.05157   0.00000   0.00000   0.00000   0.00000   2.05157
   R65        2.62835   0.00000   0.00000   0.00000   0.00000   2.62835
   R66        2.05123   0.00000  -0.00000   0.00000  -0.00000   2.05123
   R67        2.64825  -0.00000  -0.00000  -0.00000  -0.00000   2.64824
   R68        2.04942   0.00000   0.00000  -0.00000   0.00000   2.04942
   R69        2.64927   0.00000   0.00000   0.00000   0.00000   2.64927
   R70        2.67445  -0.00000  -0.00000  -0.00000  -0.00001   2.67444
   R71        2.62724   0.00000  -0.00000   0.00000  -0.00000   2.62724
   R72        2.04950   0.00000   0.00000  -0.00000  -0.00000   2.04950
   R73        2.05131   0.00000  -0.00000   0.00000   0.00000   2.05131
   R74        2.64964  -0.00000   0.00000  -0.00001  -0.00001   2.64963
   R75        2.64976  -0.00000   0.00000  -0.00001  -0.00001   2.64976
   R76        2.65089  -0.00001   0.00000  -0.00001  -0.00001   2.65088
   R77        2.64975  -0.00001   0.00000  -0.00001  -0.00001   2.64974
   R78        2.65067  -0.00001   0.00000  -0.00001  -0.00001   2.65066
   R79        2.65125  -0.00001   0.00000  -0.00001  -0.00001   2.65124
   R80        2.67864   0.00000  -0.00000   0.00000   0.00000   2.67864
   R81        2.64085   0.00000   0.00000   0.00000   0.00000   2.64085
   R82        2.73674  -0.00000  -0.00000  -0.00000  -0.00000   2.73674
   R83        2.64469   0.00000  -0.00000   0.00000   0.00000   2.64469
   R84        2.67907   0.00000  -0.00000   0.00000   0.00000   2.67908
   R85        2.64447   0.00000  -0.00000   0.00000  -0.00000   2.64447
   R86        2.64093   0.00000   0.00000   0.00000   0.00000   2.64093
   R87        2.67900   0.00000  -0.00000   0.00000   0.00000   2.67900
   R88        2.64084   0.00000  -0.00000   0.00000   0.00000   2.64084
   R89        2.73673  -0.00000   0.00000  -0.00000  -0.00000   2.73673
   R90        2.64464   0.00000  -0.00000   0.00000  -0.00000   2.64464
   R91        2.67898   0.00000  -0.00000   0.00000   0.00000   2.67898
   R92        2.64466   0.00000  -0.00000   0.00000  -0.00000   2.64466
   R93        2.64084   0.00000  -0.00000   0.00000   0.00000   2.64085
   R94        2.67875   0.00000  -0.00000   0.00000   0.00000   2.67875
   R95        2.64083   0.00000  -0.00000   0.00000   0.00000   2.64083
   R96        2.73684  -0.00000  -0.00000  -0.00000  -0.00000   2.73684
   R97        2.64448   0.00000  -0.00000   0.00000   0.00000   2.64448
   R98        2.67854   0.00000  -0.00000   0.00000   0.00000   2.67854
   R99        2.64458   0.00000  -0.00000   0.00000   0.00000   2.64458
   R100       2.64079   0.00000  -0.00000   0.00000  -0.00000   2.64079
   R101       2.62985  -0.00000   0.00000  -0.00000   0.00000   2.62985
   R102       2.05260  -0.00000  -0.00000   0.00000  -0.00000   2.05260
   R103       2.65468   0.00000  -0.00000   0.00000   0.00000   2.65468
   R104       2.05138  -0.00000  -0.00000   0.00000  -0.00000   2.05138
   R105       2.63305  -0.00000   0.00000  -0.00000  -0.00000   2.63305
   R106       2.05227  -0.00000  -0.00000  -0.00000  -0.00000   2.05227
   R107       2.04879   0.00000  -0.00000   0.00000   0.00000   2.04879
   R108       2.63285  -0.00000   0.00000  -0.00000  -0.00000   2.63285
   R109       2.04868   0.00000  -0.00000   0.00000   0.00000   2.04868
   R110       2.65489   0.00000  -0.00000   0.00000   0.00000   2.65489
   R111       2.05206  -0.00000  -0.00000  -0.00000  -0.00000   2.05206
   R112       2.62955  -0.00000   0.00000  -0.00000  -0.00000   2.62955
   R113       2.05135  -0.00000  -0.00000  -0.00000  -0.00000   2.05135
   R114       2.05262  -0.00000  -0.00000   0.00000  -0.00000   2.05262
   R115       2.62969  -0.00000   0.00000  -0.00000  -0.00000   2.62969
   R116       2.05259  -0.00000  -0.00000  -0.00000  -0.00000   2.05259
   R117       2.65489   0.00000  -0.00000   0.00000   0.00000   2.65489
   R118       2.05135  -0.00000  -0.00000  -0.00000  -0.00000   2.05135
   R119       2.63292  -0.00000   0.00000  -0.00000  -0.00000   2.63291
   R120       2.05219  -0.00000  -0.00000  -0.00000  -0.00000   2.05219
   R121       2.04883   0.00000  -0.00000   0.00000   0.00000   2.04883
   R122       2.63294  -0.00000   0.00000  -0.00000  -0.00000   2.63294
   R123       2.04885   0.00000  -0.00000   0.00000   0.00000   2.04885
   R124       2.65487   0.00000  -0.00000   0.00000   0.00000   2.65487
   R125       2.05221  -0.00000  -0.00000  -0.00000  -0.00000   2.05221
   R126       2.62972  -0.00000   0.00000  -0.00000  -0.00000   2.62972
   R127       2.05134  -0.00000  -0.00000  -0.00000  -0.00000   2.05134
   R128       2.05259  -0.00000  -0.00000  -0.00000  -0.00000   2.05259
   R129       2.62964  -0.00000   0.00000  -0.00000   0.00000   2.62964
   R130       2.05257  -0.00000  -0.00000   0.00000  -0.00000   2.05257
   R131       2.65471   0.00000  -0.00000   0.00000   0.00000   2.65471
   R132       2.05132  -0.00000  -0.00000  -0.00000  -0.00000   2.05132
   R133       2.63297  -0.00000   0.00000  -0.00000  -0.00000   2.63297
   R134       2.05208  -0.00000  -0.00000  -0.00000  -0.00000   2.05208
   R135       2.04868   0.00000  -0.00000   0.00000   0.00000   2.04868
   R136       2.63307  -0.00000   0.00000  -0.00000   0.00000   2.63307
   R137       2.04873   0.00000   0.00000  -0.00000   0.00000   2.04873
   R138       2.65462   0.00000  -0.00000   0.00000   0.00000   2.65462
   R139       2.05218  -0.00000  -0.00000  -0.00000  -0.00000   2.05218
   R140       2.62978  -0.00000   0.00000  -0.00000   0.00000   2.62979
   R141       2.05135  -0.00000  -0.00000   0.00000  -0.00000   2.05135
   R142       2.05257  -0.00000  -0.00000   0.00000  -0.00000   2.05257
   R143       3.43363   0.00000   0.00004   0.00004   0.00007   3.43370
    A1        2.06426   0.00000   0.00000   0.00000   0.00001   2.06426
    A2        2.10891  -0.00000  -0.00000  -0.00000  -0.00000   2.10891
    A3        2.11002  -0.00000  -0.00000  -0.00000  -0.00000   2.11001
    A4        2.13792   0.00000  -0.00000   0.00000  -0.00000   2.13791
    A5        2.05396  -0.00000   0.00000  -0.00001  -0.00000   2.05396
    A6        2.09087   0.00000   0.00000   0.00001   0.00001   2.09087
    A7        2.05880  -0.00000   0.00000  -0.00001  -0.00000   2.05879
    A8        2.13523   0.00000  -0.00000   0.00001   0.00000   2.13523
    A9        2.08912   0.00000   0.00000   0.00000   0.00000   2.08912
   A10        2.09120   0.00000   0.00000   0.00000   0.00000   2.09120
   A11        2.10005  -0.00000  -0.00000  -0.00000  -0.00000   2.10005
   A12        2.09194  -0.00000   0.00000  -0.00000  -0.00000   2.09194
   A13        2.11091  -0.00000  -0.00000  -0.00000  -0.00000   2.11091
   A14        2.06329   0.00000   0.00000   0.00000   0.00000   2.06330
   A15        2.10892  -0.00000  -0.00000  -0.00000  -0.00000   2.10892
   A16        2.10327  -0.00000  -0.00000  -0.00000  -0.00000   2.10327
   A17        2.08985  -0.00000  -0.00000  -0.00000  -0.00000   2.08985
   A18        2.08971   0.00000   0.00000   0.00000   0.00001   2.08971
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   D255       3.11054   0.00000  -0.00000   0.00001   0.00001   3.11056
   D256      -0.01971   0.00000  -0.00001   0.00001   0.00000  -0.01971
   D257       3.11950   0.00000   0.00000   0.00001   0.00001   3.11951
   D258      -0.01392   0.00000  -0.00000   0.00001   0.00001  -0.01392
   D259       0.01879  -0.00000   0.00000  -0.00001  -0.00001   0.01878
   D260      -3.11464  -0.00000  -0.00000  -0.00001  -0.00001  -3.11464
   D261      -0.00281   0.00000  -0.00000   0.00000  -0.00000  -0.00281
   D262       3.12537   0.00000   0.00000   0.00000   0.00001   3.12538
   D263       3.12519   0.00000   0.00000   0.00001   0.00001   3.12520
   D264      -0.02982   0.00000   0.00001   0.00001   0.00002  -0.02980
   D265       0.00624  -0.00000   0.00000  -0.00000   0.00000   0.00625
   D266      -3.14094   0.00000   0.00000   0.00000   0.00000  -3.14093
   D267      -3.12039  -0.00000  -0.00000  -0.00001  -0.00001  -3.12040
   D268       0.01561  -0.00000  -0.00001  -0.00000  -0.00001   0.01560
   D269       0.00233  -0.00000   0.00000  -0.00000  -0.00000   0.00233
   D270       3.11069   0.00000  -0.00000   0.00001   0.00001   3.11070
   D271      -3.12808  -0.00000  -0.00000  -0.00000  -0.00001  -3.12809
   D272      -0.01973   0.00000  -0.00001   0.00001   0.00000  -0.01972
   D273      -3.12067  -0.00000  -0.00000  -0.00001  -0.00001  -3.12068
   D274       0.01544  -0.00000  -0.00001  -0.00000  -0.00001   0.01544
   D275       0.00617  -0.00000   0.00000  -0.00000   0.00000   0.00617
   D276      -3.14090   0.00000   0.00000   0.00000   0.00000  -3.14090
   D277       3.11973   0.00000   0.00000   0.00001   0.00001   3.11974
   D278      -0.01379   0.00000  -0.00000   0.00001   0.00001  -0.01378
   D279       0.01889  -0.00000   0.00000  -0.00001  -0.00001   0.01889
   D280      -3.11463  -0.00000  -0.00000  -0.00001  -0.00001  -3.11463
   D281      -0.00247  -0.00000  -0.00000  -0.00000  -0.00000  -0.00247
   D282       3.12725   0.00000   0.00001   0.00001   0.00002   3.12727
   D283      -3.10892  -0.00000  -0.00001  -0.00002  -0.00003  -3.10895
   D284       0.02080  -0.00000   0.00001  -0.00001  -0.00000   0.02079
   D285      -3.11855  -0.00000  -0.00000  -0.00002  -0.00002  -3.11857
   D286       0.01419  -0.00000   0.00000  -0.00002  -0.00002   0.01418
   D287      -0.02007   0.00000  -0.00000   0.00001   0.00001  -0.02006
   D288       3.11267   0.00000   0.00000   0.00001   0.00001   3.11269
   D289       0.00294   0.00000   0.00000   0.00000   0.00000   0.00295
   D290      -3.12472  -0.00000  -0.00001  -0.00002  -0.00003  -3.12475
   D291      -3.12442  -0.00000  -0.00001  -0.00002  -0.00003  -3.12445
   D292       0.03111  -0.00000  -0.00003  -0.00004  -0.00006   0.03104
   D293      -0.00635   0.00000  -0.00001  -0.00000  -0.00001  -0.00636
   D294       3.14103  -0.00000  -0.00000  -0.00000  -0.00001   3.14103
   D295       3.11959   0.00000   0.00001   0.00002   0.00003   3.11962
   D296      -0.01621   0.00000   0.00001   0.00002   0.00003  -0.01618
   D297      -0.00236   0.00000   0.00000  -0.00000  -0.00000  -0.00236
   D298      -3.10915  -0.00000  -0.00001  -0.00002  -0.00003  -3.10918
   D299       3.12761   0.00000   0.00001   0.00002   0.00003   3.12764
   D300       0.02082  -0.00000   0.00001  -0.00001  -0.00000   0.02082
   D301       3.11991   0.00000   0.00001   0.00002   0.00003   3.11995
   D302      -0.01611   0.00000   0.00002   0.00002   0.00003  -0.01607
   D303      -0.00636  -0.00000  -0.00001  -0.00000  -0.00001  -0.00636
   D304       3.14081  -0.00000  -0.00000  -0.00000  -0.00001   3.14080
   D305      -3.11900  -0.00000  -0.00001  -0.00002  -0.00003  -3.11903
   D306       0.01419  -0.00000  -0.00001  -0.00002  -0.00003   0.01417
   D307      -0.02011   0.00000  -0.00000   0.00001   0.00001  -0.02009
   D308       3.11308   0.00000   0.00000   0.00001   0.00001   3.11310
   D309       0.00766  -0.00000  -0.00000  -0.00000  -0.00000   0.00766
   D310      -3.14029  -0.00000   0.00000  -0.00001  -0.00000  -3.14029
   D311      -3.12808  -0.00000   0.00000  -0.00001  -0.00001  -3.12808
   D312       0.00716  -0.00000   0.00001  -0.00001  -0.00001   0.00715
   D313      -0.00837   0.00000  -0.00000   0.00000   0.00000  -0.00837
   D314       3.12909   0.00000  -0.00001   0.00001  -0.00000   3.12909
   D315       3.13957   0.00000  -0.00000   0.00001   0.00000   3.13957
   D316      -0.00616   0.00000  -0.00001   0.00001  -0.00000  -0.00617
   D317      -0.00527   0.00000  -0.00000   0.00001   0.00000  -0.00527
   D318       3.12761   0.00000   0.00000   0.00000   0.00001   3.12762
   D319       3.14044   0.00000   0.00000   0.00000   0.00001   3.14045
   D320      -0.00986  -0.00000   0.00001   0.00000   0.00001  -0.00985
   D321      -0.00551   0.00000  -0.00000   0.00001   0.00000  -0.00551
   D322       3.13952   0.00000   0.00000   0.00000   0.00001   3.13953
   D323       3.12813   0.00000   0.00000   0.00000   0.00001   3.12814
   D324      -0.01003  -0.00000   0.00001  -0.00000   0.00001  -0.01002
   D325      -0.00819   0.00000  -0.00000   0.00000   0.00000  -0.00819
   D326       3.13923   0.00000  -0.00000   0.00001   0.00000   3.13923
   D327       3.12995   0.00000  -0.00001   0.00001  -0.00000   3.12995
   D328      -0.00582   0.00000  -0.00001   0.00001  -0.00000  -0.00582
   D329       0.00769  -0.00000  -0.00000  -0.00000  -0.00000   0.00769
   D330      -3.12846  -0.00000   0.00000  -0.00001  -0.00001  -3.12847
   D331      -3.13974  -0.00000   0.00000  -0.00001  -0.00000  -3.13975
   D332       0.00729  -0.00000   0.00001  -0.00001  -0.00000   0.00728
   D333       0.00731  -0.00000  -0.00000  -0.00000  -0.00000   0.00731
   D334      -3.14009  -0.00000   0.00000  -0.00001  -0.00000  -3.14010
   D335      -3.12880  -0.00000   0.00000  -0.00001  -0.00001  -3.12881
   D336       0.00698  -0.00000   0.00001  -0.00001  -0.00001   0.00698
   D337      -0.00798   0.00000   0.00000   0.00000   0.00000  -0.00798
   D338       3.13001   0.00000  -0.00001   0.00001  -0.00000   3.13001
   D339       3.13940   0.00000  -0.00000   0.00001   0.00000   3.13940
   D340      -0.00579   0.00000  -0.00001   0.00001   0.00000  -0.00579
   D341      -0.00511   0.00000  -0.00000   0.00001   0.00000  -0.00510
   D342       3.12845   0.00000   0.00000   0.00000   0.00001   3.12846
   D343       3.14007   0.00000   0.00000   0.00000   0.00001   3.14008
   D344      -0.00955  -0.00000   0.00001  -0.00000   0.00001  -0.00955
   D345      -0.00500   0.00000  -0.00000   0.00000   0.00000  -0.00499
   D346       3.14038   0.00000   0.00000   0.00000   0.00001   3.14039
   D347       3.12847  -0.00000   0.00000   0.00000   0.00000   3.12848
   D348      -0.00934  -0.00000   0.00001  -0.00000   0.00001  -0.00933
   D349      -0.00801   0.00000   0.00000   0.00000   0.00000  -0.00801
   D350       3.13947   0.00000  -0.00000   0.00001   0.00000   3.13947
   D351       3.12978   0.00000  -0.00001   0.00000  -0.00000   3.12978
   D352      -0.00593   0.00000  -0.00001   0.00001   0.00000  -0.00593
   D353       0.00724  -0.00000  -0.00000  -0.00000  -0.00000   0.00723
   D354      -3.12876  -0.00000   0.00000  -0.00001  -0.00001  -3.12876
   D355      -3.14026  -0.00000   0.00000  -0.00001  -0.00000  -3.14026
   D356       0.00694  -0.00000   0.00001  -0.00001  -0.00001   0.00693
   D357      -0.00786   0.00000   0.00000   0.00001   0.00001  -0.00785
   D358       3.13980   0.00000  -0.00000   0.00001   0.00001   3.13981
   D359       3.12815   0.00000  -0.00000   0.00001   0.00001   3.12816
   D360      -0.00737   0.00000  -0.00001   0.00001   0.00000  -0.00737
   D361       0.00840  -0.00000  -0.00000  -0.00000  -0.00000   0.00840
   D362      -3.12959  -0.00000   0.00000  -0.00000  -0.00000  -3.12959
   D363      -3.13924  -0.00000   0.00001  -0.00000   0.00000  -3.13924
   D364       0.00595  -0.00000   0.00001  -0.00001   0.00000   0.00595
   D365       0.00557  -0.00000  -0.00000  -0.00001  -0.00001   0.00556
   D366      -3.12768  -0.00000  -0.00001  -0.00000  -0.00001  -3.12769
   D367      -3.13961  -0.00000  -0.00000  -0.00000  -0.00001  -3.13962
   D368       0.01033  -0.00000  -0.00001  -0.00000  -0.00001   0.01032
   D369       0.00553  -0.00000   0.00000  -0.00001  -0.00001   0.00552
   D370      -3.13998  -0.00000  -0.00000  -0.00000  -0.00001  -3.13998
   D371      -3.12726  -0.00000  -0.00001  -0.00001  -0.00001  -3.12727
   D372       0.01042  -0.00000  -0.00001  -0.00000  -0.00001   0.01040
   D373       0.00843  -0.00000  -0.00000  -0.00000  -0.00000   0.00843
   D374      -3.13947  -0.00000   0.00000  -0.00000   0.00000  -3.13947
   D375      -3.12923  -0.00000   0.00000  -0.00001  -0.00000  -3.12924
   D376       0.00605  -0.00000   0.00001  -0.00001   0.00000   0.00605
   D377      -0.00787   0.00000   0.00000   0.00001   0.00001  -0.00786
   D378       3.12792   0.00000  -0.00000   0.00001   0.00001   3.12793
   D379       3.14005   0.00000  -0.00000   0.00001   0.00001   3.14006
   D380      -0.00734   0.00000  -0.00001   0.00001   0.00000  -0.00734
         Item               Value     Threshold  Converged?
 Maximum Force            0.000006     0.000450     YES
 RMS     Force            0.000001     0.000300     YES
 Maximum Displacement     0.001447     0.001800     YES
 RMS     Displacement     0.000210     0.001200     YES
 Predicted change in Energy=-2.365559D-09
 Optimization completed.
    -- Stationary point found.
                           ----------------------------
                           !   Optimized Parameters   !
                           ! (Angstroms and Degrees)  !
 --------------------------                            --------------------------
 ! Name  Definition              Value          Derivative Info.                !
 --------------------------------------------------------------------------------
 ! R1    R(1,2)                  1.3962         -DE/DX =    0.0                 !
 ! R2    R(1,6)                  1.4111         -DE/DX =    0.0                 !
 ! R3    R(1,23)                 1.4826         -DE/DX =    0.0                 !
 ! R4    R(2,3)                  1.407          -DE/DX =    0.0                 !
 ! R5    R(2,81)                 1.0823         -DE/DX =    0.0                 !
 ! R6    R(3,4)                  1.4141         -DE/DX =    0.0                 !
 ! R7    R(3,7)                  1.4728         -DE/DX =    0.0                 !
 ! R8    R(4,5)                  1.4074         -DE/DX =    0.0                 !
 ! R9    R(4,10)                 1.4596         -DE/DX =    0.0                 !
 ! R10   R(5,6)                  1.3808         -DE/DX =    0.0                 !
 ! R11   R(5,82)                 1.0833         -DE/DX =    0.0                 !
 ! R12   R(6,83)                 1.0851         -DE/DX =    0.0                 !
 ! R13   R(7,8)                  1.4265         -DE/DX =    0.0                 !
 ! R14   R(7,11)                 1.4033         -DE/DX =    0.0                 !
 ! R15   R(8,9)                  1.4519         -DE/DX =    0.0                 !
 ! R16   R(8,14)                 1.4126         -DE/DX =    0.0                 !
 ! R17   R(9,10)                 1.4443         -DE/DX =    0.0                 !
 ! R18   R(9,15)                 1.3449         -DE/DX =    0.0                 !
 ! R19   R(10,18)                1.3253         -DE/DX =    0.0                 !
 ! R20   R(11,12)                1.3976         -DE/DX =    0.0                 !
 ! R21   R(11,84)                1.082          -DE/DX =    0.0                 !
 ! R22   R(12,13)                1.4087         -DE/DX =    0.0                 !
 ! R23   R(12,24)                1.4809         -DE/DX =    0.0                 !
 ! R24   R(13,14)                1.3809         -DE/DX =    0.0                 !
 ! R25   R(13,85)                1.0847         -DE/DX =    0.0                 !
 ! R26   R(14,86)                1.0873         -DE/DX =    0.0                 !
 ! R27   R(15,16)                1.3647         -DE/DX =    0.0                 !
 ! R28   R(15,80)                1.119          -DE/DX =    0.0                 !
 ! R29   R(15,126)               2.9251         -DE/DX =    0.0                 !
 ! R30   R(16,17)                1.4265         -DE/DX =    0.0                 !
 ! R31   R(16,19)                1.4154         -DE/DX =    0.0                 !
 ! R32   R(17,18)                1.351          -DE/DX =    0.0                 !
 ! R33   R(17,22)                1.4158         -DE/DX =    0.0                 !
 ! R34   R(19,20)                1.3743         -DE/DX =    0.0                 !
 ! R35   R(19,87)                1.086          -DE/DX =    0.0                 !
 ! R36   R(20,21)                1.431          -DE/DX =    0.0                 !
 ! R37   R(20,88)                1.085          -DE/DX =    0.0                 !
 ! R38   R(21,22)                1.3843         -DE/DX =    0.0                 !
 ! R39   R(21,25)                1.4813         -DE/DX =    0.0                 !
 ! R40   R(22,89)                1.0841         -DE/DX =    0.0                 !
 ! R41   R(23,31)                1.4054         -DE/DX =    0.0                 !
 ! R42   R(23,35)                1.4054         -DE/DX =    0.0                 !
 ! R43   R(24,26)                1.4058         -DE/DX =    0.0                 !
 ! R44   R(24,30)                1.4057         -DE/DX =    0.0                 !
 ! R45   R(25,36)                1.4055         -DE/DX =    0.0                 !
 ! R46   R(25,40)                1.4056         -DE/DX =    0.0                 !
 ! R47   R(26,27)                1.3906         -DE/DX =    0.0                 !
 ! R48   R(26,90)                1.0853         -DE/DX =    0.0                 !
 ! R49   R(27,28)                1.4015         -DE/DX =    0.0                 !
 ! R50   R(27,91)                1.0846         -DE/DX =    0.0                 !
 ! R51   R(28,29)                1.4016         -DE/DX =    0.0                 !
 ! R52   R(28,42)                1.4158         -DE/DX =    0.0                 !
 ! R53   R(29,30)                1.3907         -DE/DX =    0.0                 !
 ! R54   R(29,92)                1.0846         -DE/DX =    0.0                 !
 ! R55   R(30,93)                1.0856         -DE/DX =    0.0                 !
 ! R56   R(31,32)                1.391          -DE/DX =    0.0                 !
 ! R57   R(31,94)                1.0856         -DE/DX =    0.0                 !
 ! R58   R(32,33)                1.4012         -DE/DX =    0.0                 !
 ! R59   R(32,95)                1.0847         -DE/DX =    0.0                 !
 ! R60   R(33,34)                1.4013         -DE/DX =    0.0                 !
 ! R61   R(33,41)                1.4164         -DE/DX =    0.0                 !
 ! R62   R(34,35)                1.391          -DE/DX =    0.0                 !
 ! R63   R(34,96)                1.0847         -DE/DX =    0.0                 !
 ! R64   R(35,97)                1.0856         -DE/DX =    0.0                 !
 ! R65   R(36,37)                1.3909         -DE/DX =    0.0                 !
 ! R66   R(36,98)                1.0855         -DE/DX =    0.0                 !
 ! R67   R(37,38)                1.4014         -DE/DX =    0.0                 !
 ! R68   R(37,99)                1.0845         -DE/DX =    0.0                 !
 ! R69   R(38,39)                1.4019         -DE/DX =    0.0                 !
 ! R70   R(38,43)                1.4153         -DE/DX =    0.0                 !
 ! R71   R(39,40)                1.3903         -DE/DX =    0.0                 !
 ! R72   R(39,100)               1.0845         -DE/DX =    0.0                 !
 ! R73   R(40,101)               1.0855         -DE/DX =    0.0                 !
 ! R74   R(41,48)                1.4021         -DE/DX =    0.0                 !
 ! R75   R(41,51)                1.4022         -DE/DX =    0.0                 !
 ! R76   R(42,44)                1.4028         -DE/DX =    0.0                 !
 ! R77   R(42,47)                1.4022         -DE/DX =    0.0                 !
 ! R78   R(43,52)                1.4027         -DE/DX =    0.0                 !
 ! R79   R(43,55)                1.403          -DE/DX =    0.0                 !
 ! R80   R(44,45)                1.4175         -DE/DX =    0.0                 !
 ! R81   R(44,60)                1.3975         -DE/DX =    0.0                 !
 ! R82   R(45,46)                1.4482         -DE/DX =    0.0                 !
 ! R83   R(45,63)                1.3995         -DE/DX =    0.0                 !
 ! R84   R(46,47)                1.4177         -DE/DX =    0.0                 !
 ! R85   R(46,56)                1.3994         -DE/DX =    0.0                 !
 ! R86   R(47,59)                1.3975         -DE/DX =    0.0                 !
 ! R87   R(48,49)                1.4177         -DE/DX =    0.0                 !
 ! R88   R(48,68)                1.3975         -DE/DX =    0.0                 !
 ! R89   R(49,50)                1.4482         -DE/DX =    0.0                 !
 ! R90   R(49,71)                1.3995         -DE/DX =    0.0                 !
 ! R91   R(50,51)                1.4177         -DE/DX =    0.0                 !
 ! R92   R(50,64)                1.3995         -DE/DX =    0.0                 !
 ! R93   R(51,67)                1.3975         -DE/DX =    0.0                 !
 ! R94   R(52,53)                1.4175         -DE/DX =    0.0                 !
 ! R95   R(52,76)                1.3975         -DE/DX =    0.0                 !
 ! R96   R(53,54)                1.4483         -DE/DX =    0.0                 !
 ! R97   R(53,79)                1.3994         -DE/DX =    0.0                 !
 ! R98   R(54,55)                1.4174         -DE/DX =    0.0                 !
 ! R99   R(54,72)                1.3995         -DE/DX =    0.0                 !
 ! R100  R(55,75)                1.3974         -DE/DX =    0.0                 !
 ! R101  R(56,57)                1.3917         -DE/DX =    0.0                 !
 ! R102  R(56,102)               1.0862         -DE/DX =    0.0                 !
 ! R103  R(57,58)                1.4048         -DE/DX =    0.0                 !
 ! R104  R(57,103)               1.0855         -DE/DX =    0.0                 !
 ! R105  R(58,59)                1.3933         -DE/DX =    0.0                 !
 ! R106  R(58,104)               1.086          -DE/DX =    0.0                 !
 ! R107  R(59,105)               1.0842         -DE/DX =    0.0                 !
 ! R108  R(60,61)                1.3932         -DE/DX =    0.0                 !
 ! R109  R(60,106)               1.0841         -DE/DX =    0.0                 !
 ! R110  R(61,62)                1.4049         -DE/DX =    0.0                 !
 ! R111  R(61,107)               1.0859         -DE/DX =    0.0                 !
 ! R112  R(62,63)                1.3915         -DE/DX =    0.0                 !
 ! R113  R(62,108)               1.0855         -DE/DX =    0.0                 !
 ! R114  R(63,109)               1.0862         -DE/DX =    0.0                 !
 ! R115  R(64,65)                1.3916         -DE/DX =    0.0                 !
 ! R116  R(64,110)               1.0862         -DE/DX =    0.0                 !
 ! R117  R(65,66)                1.4049         -DE/DX =    0.0                 !
 ! R118  R(65,111)               1.0855         -DE/DX =    0.0                 !
 ! R119  R(66,67)                1.3933         -DE/DX =    0.0                 !
 ! R120  R(66,112)               1.086          -DE/DX =    0.0                 !
 ! R121  R(67,113)               1.0842         -DE/DX =    0.0                 !
 ! R122  R(68,69)                1.3933         -DE/DX =    0.0                 !
 ! R123  R(68,114)               1.0842         -DE/DX =    0.0                 !
 ! R124  R(69,70)                1.4049         -DE/DX =    0.0                 !
 ! R125  R(69,115)               1.086          -DE/DX =    0.0                 !
 ! R126  R(70,71)                1.3916         -DE/DX =    0.0                 !
 ! R127  R(70,116)               1.0855         -DE/DX =    0.0                 !
 ! R128  R(71,117)               1.0862         -DE/DX =    0.0                 !
 ! R129  R(72,73)                1.3915         -DE/DX =    0.0                 !
 ! R130  R(72,118)               1.0862         -DE/DX =    0.0                 !
 ! R131  R(73,74)                1.4048         -DE/DX =    0.0                 !
 ! R132  R(73,119)               1.0855         -DE/DX =    0.0                 !
 ! R133  R(74,75)                1.3933         -DE/DX =    0.0                 !
 ! R134  R(74,120)               1.0859         -DE/DX =    0.0                 !
 ! R135  R(75,121)               1.0841         -DE/DX =    0.0                 !
 ! R136  R(76,77)                1.3934         -DE/DX =    0.0                 !
 ! R137  R(76,122)               1.0841         -DE/DX =    0.0                 !
 ! R138  R(77,78)                1.4048         -DE/DX =    0.0                 !
 ! R139  R(77,123)               1.086          -DE/DX =    0.0                 !
 ! R140  R(78,79)                1.3916         -DE/DX =    0.0                 !
 ! R141  R(78,124)               1.0855         -DE/DX =    0.0                 !
 ! R142  R(79,125)               1.0862         -DE/DX =    0.0                 !
 ! R143  R(80,126)               1.817          -DE/DX =    0.0                 !
 ! A1    A(2,1,6)              118.2732         -DE/DX =    0.0                 !
 ! A2    A(2,1,23)             120.8317         -DE/DX =    0.0                 !
 ! A3    A(6,1,23)             120.895          -DE/DX =    0.0                 !
 ! A4    A(1,2,3)              122.4935         -DE/DX =    0.0                 !
 ! A5    A(1,2,81)             117.6834         -DE/DX =    0.0                 !
 ! A6    A(3,2,81)             119.7978         -DE/DX =    0.0                 !
 ! A7    A(2,3,4)              117.9605         -DE/DX =    0.0                 !
 ! A8    A(2,3,7)              122.3395         -DE/DX =    0.0                 !
 ! A9    A(4,3,7)              119.6975         -DE/DX =    0.0                 !
 ! A10   A(3,4,5)              119.8168         -DE/DX =    0.0                 !
 ! A11   A(3,4,10)             120.324          -DE/DX =    0.0                 !
 ! A12   A(5,4,10)             119.8592         -DE/DX =    0.0                 !
 ! A13   A(4,5,6)              120.9464         -DE/DX =    0.0                 !
 ! A14   A(4,5,82)             118.2181         -DE/DX =    0.0                 !
 ! A15   A(6,5,82)             120.8323         -DE/DX =    0.0                 !
 ! A16   A(1,6,5)              120.5085         -DE/DX =    0.0                 !
 ! A17   A(1,6,83)             119.7395         -DE/DX =    0.0                 !
 ! A18   A(5,6,83)             119.7314         -DE/DX =    0.0                 !
 ! A19   A(3,7,8)              120.6958         -DE/DX =    0.0                 !
 ! A20   A(3,7,11)             121.2372         -DE/DX =    0.0                 !
 ! A21   A(8,7,11)             118.0653         -DE/DX =    0.0                 !
 ! A22   A(7,8,9)              119.2126         -DE/DX =    0.0                 !
 ! A23   A(7,8,14)             119.1924         -DE/DX =    0.0                 !
 ! A24   A(9,8,14)             121.595          -DE/DX =    0.0                 !
 ! A25   A(8,9,10)             120.4833         -DE/DX =    0.0                 !
 ! A26   A(8,9,15)             122.3808         -DE/DX =    0.0                 !
 ! A27   A(10,9,15)            117.1359         -DE/DX =    0.0                 !
 ! A28   A(4,10,9)             119.5846         -DE/DX =    0.0                 !
 ! A29   A(4,10,18)            118.2866         -DE/DX =    0.0                 !
 ! A30   A(9,10,18)            122.1288         -DE/DX =    0.0                 !
 ! A31   A(7,11,12)            122.7961         -DE/DX =    0.0                 !
 ! A32   A(7,11,84)            119.4694         -DE/DX =    0.0                 !
 ! A33   A(12,11,84)           117.7069         -DE/DX =    0.0                 !
 ! A34   A(11,12,13)           118.0051         -DE/DX =    0.0                 !
 ! A35   A(11,12,24)           120.9068         -DE/DX =    0.0                 !
 ! A36   A(13,12,24)           121.0879         -DE/DX =    0.0                 !
 ! A37   A(12,13,14)           120.958          -DE/DX =    0.0                 !
 ! A38   A(12,13,85)           120.1292         -DE/DX =    0.0                 !
 ! A39   A(14,13,85)           118.8923         -DE/DX =    0.0                 !
 ! A40   A(8,14,13)            120.9817         -DE/DX =    0.0                 !
 ! A41   A(8,14,86)            120.7074         -DE/DX =    0.0                 !
 ! A42   A(13,14,86)           118.3096         -DE/DX =    0.0                 !
 ! A43   A(9,15,16)            122.2717         -DE/DX =    0.0                 !
 ! A44   A(9,15,80)            124.1536         -DE/DX =    0.0                 !
 ! A45   A(9,15,126)           130.4302         -DE/DX =    0.0                 !
 ! A46   A(16,15,80)           113.5711         -DE/DX =    0.0                 !
 ! A47   A(16,15,126)          107.2912         -DE/DX =    0.0                 !
 ! A48   A(15,16,17)           118.1384         -DE/DX =    0.0                 !
 ! A49   A(15,16,19)           121.7134         -DE/DX =    0.0                 !
 ! A50   A(17,16,19)           120.1481         -DE/DX =    0.0                 !
 ! A51   A(16,17,18)           120.8697         -DE/DX =    0.0                 !
 ! A52   A(16,17,22)           119.3086         -DE/DX =    0.0                 !
 ! A53   A(18,17,22)           119.8187         -DE/DX =    0.0                 !
 ! A54   A(10,18,17)           119.4515         -DE/DX =    0.0                 !
 ! A55   A(16,19,20)           118.6701         -DE/DX =    0.0                 !
 ! A56   A(16,19,87)           118.8127         -DE/DX =    0.0                 !
 ! A57   A(20,19,87)           122.5143         -DE/DX =    0.0                 !
 ! A58   A(19,20,21)           122.6197         -DE/DX =    0.0                 !
 ! A59   A(19,20,88)           118.6436         -DE/DX =    0.0                 !
 ! A60   A(21,20,88)           118.7169         -DE/DX =    0.0                 !
 ! A61   A(20,21,22)           118.3789         -DE/DX =    0.0                 !
 ! A62   A(20,21,25)           120.2996         -DE/DX =    0.0                 !
 ! A63   A(22,21,25)           121.3213         -DE/DX =    0.0                 !
 ! A64   A(17,22,21)           120.8741         -DE/DX =    0.0                 !
 ! A65   A(17,22,89)           117.2879         -DE/DX =    0.0                 !
 ! A66   A(21,22,89)           121.8161         -DE/DX =    0.0                 !
 ! A67   A(1,23,31)            120.9758         -DE/DX =    0.0                 !
 ! A68   A(1,23,35)            121.2168         -DE/DX =    0.0                 !
 ! A69   A(31,23,35)           117.8074         -DE/DX =    0.0                 !
 ! A70   A(12,24,26)           120.8777         -DE/DX =    0.0                 !
 ! A71   A(12,24,30)           121.2849         -DE/DX =    0.0                 !
 ! A72   A(26,24,30)           117.8373         -DE/DX =    0.0                 !
 ! A73   A(21,25,36)           121.1185         -DE/DX =    0.0                 !
 ! A74   A(21,25,40)           121.019          -DE/DX =    0.0                 !
 ! A75   A(36,25,40)           117.8623         -DE/DX =    0.0                 !
 ! A76   A(24,26,27)           121.2462         -DE/DX =    0.0                 !
 ! A77   A(24,26,90)           119.6354         -DE/DX =    0.0                 !
 ! A78   A(27,26,90)           119.0676         -DE/DX =    0.0                 !
 ! A79   A(26,27,28)           120.2613         -DE/DX =    0.0                 !
 ! A80   A(26,27,91)           120.2258         -DE/DX =    0.0                 !
 ! A81   A(28,27,91)           119.5004         -DE/DX =    0.0                 !
 ! A82   A(27,28,29)           119.1343         -DE/DX =    0.0                 !
 ! A83   A(27,28,42)           120.459          -DE/DX =    0.0                 !
 ! A84   A(29,28,42)           120.4066         -DE/DX =    0.0                 !
 ! A85   A(28,29,30)           120.2241         -DE/DX =    0.0                 !
 ! A86   A(28,29,92)           119.4674         -DE/DX =    0.0                 !
 ! A87   A(30,29,92)           120.2902         -DE/DX =    0.0                 !
 ! A88   A(24,30,29)           121.2843         -DE/DX =    0.0                 !
 ! A89   A(24,30,93)           119.624          -DE/DX =    0.0                 !
 ! A90   A(29,30,93)           119.0261         -DE/DX =    0.0                 !
 ! A91   A(23,31,32)           121.2849         -DE/DX =    0.0                 !
 ! A92   A(23,31,94)           119.5998         -DE/DX =    0.0                 !
 ! A93   A(32,31,94)           119.0624         -DE/DX =    0.0                 !
 ! A94   A(31,32,33)           120.2424         -DE/DX =    0.0                 !
 ! A95   A(31,32,95)           120.2779         -DE/DX =    0.0                 !
 ! A96   A(33,32,95)           119.4658         -DE/DX =    0.0                 !
 ! A97   A(32,33,34)           119.1275         -DE/DX =    0.0                 !
 ! A98   A(32,33,41)           120.4427         -DE/DX =    0.0                 !
 ! A99   A(34,33,41)           120.4298         -DE/DX =    0.0                 !
 ! A100  A(33,34,35)           120.2342         -DE/DX =    0.0                 !
 ! A101  A(33,34,96)           119.4604         -DE/DX =    0.0                 !
 ! A102  A(35,34,96)           120.2885         -DE/DX =    0.0                 !
 ! A103  A(23,35,34)           121.293          -DE/DX =    0.0                 !
 ! A104  A(23,35,97)           119.5748         -DE/DX =    0.0                 !
 ! A105  A(34,35,97)           119.0737         -DE/DX =    0.0                 !
 ! A106  A(25,36,37)           121.2335         -DE/DX =    0.0                 !
 ! A107  A(25,36,98)           119.7966         -DE/DX =    0.0                 !
 ! A108  A(37,36,98)           118.9133         -DE/DX =    0.0                 !
 ! A109  A(36,37,38)           120.2658         -DE/DX =    0.0                 !
 ! A110  A(36,37,99)           120.2155         -DE/DX =    0.0                 !
 ! A111  A(38,37,99)           119.5055         -DE/DX =    0.0                 !
 ! A112  A(37,38,39)           119.113          -DE/DX =    0.0                 !
 ! A113  A(37,38,43)           120.4653         -DE/DX =    0.0                 !
 ! A114  A(39,38,43)           120.4216         -DE/DX =    0.0                 !
 ! A115  A(38,39,40)           120.2455         -DE/DX =    0.0                 !
 ! A116  A(38,39,100)          119.4777         -DE/DX =    0.0                 !
 ! A117  A(40,39,100)          120.2583         -DE/DX =    0.0                 !
 ! A118  A(25,40,39)           121.2681         -DE/DX =    0.0                 !
 ! A119  A(25,40,101)          119.5718         -DE/DX =    0.0                 !
 ! A120  A(39,40,101)          119.1046         -DE/DX =    0.0                 !
 ! A121  A(33,41,48)           125.8252         -DE/DX =    0.0                 !
 ! A122  A(33,41,51)           125.8448         -DE/DX =    0.0                 !
 ! A123  A(48,41,51)           108.33           -DE/DX =    0.0                 !
 ! A124  A(28,42,44)           125.8476         -DE/DX =    0.0                 !
 ! A125  A(28,42,47)           125.8312         -DE/DX =    0.0                 !
 ! A126  A(44,42,47)           108.3212         -DE/DX =    0.0                 !
 ! A127  A(38,43,52)           125.8207         -DE/DX =    0.0                 !
 ! A128  A(38,43,55)           125.8595         -DE/DX =    0.0                 !
 ! A129  A(52,43,55)           108.3199         -DE/DX =    0.0                 !
 ! A130  A(42,44,45)           108.9025         -DE/DX =    0.0                 !
 ! A131  A(42,44,60)           129.5197         -DE/DX =    0.0                 !
 ! A132  A(45,44,60)           121.5425         -DE/DX =    0.0                 !
 ! A133  A(44,45,46)           106.9347         -DE/DX =    0.0                 !
 ! A134  A(44,45,63)           119.5698         -DE/DX =    0.0                 !
 ! A135  A(46,45,63)           133.4912         -DE/DX =    0.0                 !
 ! A136  A(45,46,47)           106.9275         -DE/DX =    0.0                 !
 ! A137  A(45,46,56)           133.5027         -DE/DX =    0.0                 !
 ! A138  A(47,46,56)           119.5654         -DE/DX =    0.0                 !
 ! A139  A(42,47,46)           108.9139         -DE/DX =    0.0                 !
 ! A140  A(42,47,59)           129.5393         -DE/DX =    0.0                 !
 ! A141  A(46,47,59)           121.5113         -DE/DX =    0.0                 !
 ! A142  A(41,48,49)           108.9148         -DE/DX =    0.0                 !
 ! A143  A(41,48,68)           129.5178         -DE/DX =    0.0                 !
 ! A144  A(49,48,68)           121.5342         -DE/DX =    0.0                 !
 ! A145  A(48,49,50)           106.9203         -DE/DX =    0.0                 !
 ! A146  A(48,49,71)           119.5573         -DE/DX =    0.0                 !
 ! A147  A(50,49,71)           133.5181         -DE/DX =    0.0                 !
 ! A148  A(49,50,51)           106.9231         -DE/DX =    0.0                 !
 ! A149  A(49,50,64)           133.5145         -DE/DX =    0.0                 !
 ! A150  A(51,50,64)           119.5583         -DE/DX =    0.0                 !
 ! A151  A(41,51,50)           108.9115         -DE/DX =    0.0                 !
 ! A152  A(41,51,67)           129.5155         -DE/DX =    0.0                 !
 ! A153  A(50,51,67)           121.5399         -DE/DX =    0.0                 !
 ! A154  A(43,52,53)           108.9005         -DE/DX =    0.0                 !
 ! A155  A(43,52,76)           129.5398         -DE/DX =    0.0                 !
 ! A156  A(53,52,76)           121.5227         -DE/DX =    0.0                 !
 ! A157  A(52,53,54)           106.9406         -DE/DX =    0.0                 !
 ! A158  A(52,53,79)           119.5692         -DE/DX =    0.0                 !
 ! A159  A(54,53,79)           133.4855         -DE/DX =    0.0                 !
 ! A160  A(53,54,55)           106.9444         -DE/DX =    0.0                 !
 ! A161  A(53,54,72)           133.4776         -DE/DX =    0.0                 !
 ! A162  A(55,54,72)           119.5735         -DE/DX =    0.0                 !
 ! A163  A(43,55,54)           108.8943         -DE/DX =    0.0                 !
 ! A164  A(43,55,75)           129.5378         -DE/DX =    0.0                 !
 ! A165  A(54,55,75)           121.5316         -DE/DX =    0.0                 !
 ! A166  A(46,56,57)           119.1705         -DE/DX =    0.0                 !
 ! A167  A(46,56,102)          120.3253         -DE/DX =    0.0                 !
 ! A168  A(57,56,102)          120.5033         -DE/DX =    0.0                 !
 ! A169  A(56,57,58)           120.5411         -DE/DX =    0.0                 !
 ! A170  A(56,57,103)          119.8589         -DE/DX =    0.0                 !
 ! A171  A(58,57,103)          119.599          -DE/DX =    0.0                 !
 ! A172  A(57,58,59)           121.4429         -DE/DX =    0.0                 !
 ! A173  A(57,58,104)          119.4765         -DE/DX =    0.0                 !
 ! A174  A(59,58,104)          119.0802         -DE/DX =    0.0                 !
 ! A175  A(47,59,58)           117.7573         -DE/DX =    0.0                 !
 ! A176  A(47,59,105)          121.3624         -DE/DX =    0.0                 !
 ! A177  A(58,59,105)          120.8783         -DE/DX =    0.0                 !
 ! A178  A(44,60,61)           117.7202         -DE/DX =    0.0                 !
 ! A179  A(44,60,106)          121.4349         -DE/DX =    0.0                 !
 ! A180  A(61,60,106)          120.8433         -DE/DX =    0.0                 !
 ! A181  A(60,61,62)           121.458          -DE/DX =    0.0                 !
 ! A182  A(60,61,107)          119.0489         -DE/DX =    0.0                 !
 ! A183  A(62,61,107)          119.4929         -DE/DX =    0.0                 !
 ! A184  A(61,62,63)           120.5538         -DE/DX =    0.0                 !
 ! A185  A(61,62,108)          119.5857         -DE/DX =    0.0                 !
 ! A186  A(63,62,108)          119.8596         -DE/DX =    0.0                 !
 ! A187  A(45,63,62)           119.1442         -DE/DX =    0.0                 !
 ! A188  A(45,63,109)          120.3384         -DE/DX =    0.0                 !
 ! A189  A(62,63,109)          120.5167         -DE/DX =    0.0                 !
 ! A190  A(50,64,65)           119.1571         -DE/DX =    0.0                 !
 ! A191  A(50,64,110)          120.3351         -DE/DX =    0.0                 !
 ! A192  A(65,64,110)          120.5071         -DE/DX =    0.0                 !
 ! A193  A(64,65,66)           120.5513         -DE/DX =    0.0                 !
 ! A194  A(64,65,111)          119.8563         -DE/DX =    0.0                 !
 ! A195  A(66,65,111)          119.5916         -DE/DX =    0.0                 !
 ! A196  A(65,66,67)           121.4513         -DE/DX =    0.0                 !
 ! A197  A(65,66,112)          119.477          -DE/DX =    0.0                 !
 ! A198  A(67,66,112)          119.0714         -DE/DX =    0.0                 !
 ! A199  A(51,67,66)           117.7316         -DE/DX =    0.0                 !
 ! A200  A(51,67,113)          121.3806         -DE/DX =    0.0                 !
 ! A201  A(66,67,113)          120.8861         -DE/DX =    0.0                 !
 ! A202  A(48,68,69)           117.7405         -DE/DX =    0.0                 !
 ! A203  A(48,68,114)          121.3641         -DE/DX =    0.0                 !
 ! A204  A(69,68,114)          120.8937         -DE/DX =    0.0                 !
 ! A205  A(68,69,70)           121.4455         -DE/DX =    0.0                 !
 ! A206  A(68,69,115)          119.0825         -DE/DX =    0.0                 !
 ! A207  A(70,69,115)          119.4716         -DE/DX =    0.0                 !
 ! A208  A(69,70,71)           120.5504         -DE/DX =    0.0                 !
 ! A209  A(69,70,116)          119.5902         -DE/DX =    0.0                 !
 ! A210  A(71,70,116)          119.8586         -DE/DX =    0.0                 !
 ! A211  A(49,71,70)           119.1614         -DE/DX =    0.0                 !
 ! A212  A(49,71,117)          120.334          -DE/DX =    0.0                 !
 ! A213  A(70,71,117)          120.5038         -DE/DX =    0.0                 !
 ! A214  A(54,72,73)           119.1494         -DE/DX =    0.0                 !
 ! A215  A(54,72,118)          120.3354         -DE/DX =    0.0                 !
 ! A216  A(73,72,118)          120.5144         -DE/DX =    0.0                 !
 ! A217  A(72,73,74)           120.5494         -DE/DX =    0.0                 !
 ! A218  A(72,73,119)          119.8603         -DE/DX =    0.0                 !
 ! A219  A(74,73,119)          119.5894         -DE/DX =    0.0                 !
 ! A220  A(73,74,75)           121.4525         -DE/DX =    0.0                 !
 ! A221  A(73,74,120)          119.4914         -DE/DX =    0.0                 !
 ! A222  A(75,74,120)          119.0558         -DE/DX =    0.0                 !
 ! A223  A(55,75,74)           117.7317         -DE/DX =    0.0                 !
 ! A224  A(55,75,121)          121.4336         -DE/DX =    0.0                 !
 ! A225  A(74,75,121)          120.8329         -DE/DX =    0.0                 !
 ! A226  A(52,76,77)           117.7434         -DE/DX =    0.0                 !
 ! A227  A(52,76,122)          121.404          -DE/DX =    0.0                 !
 ! A228  A(77,76,122)          120.8507         -DE/DX =    0.0                 !
 ! A229  A(76,77,78)           121.4474         -DE/DX =    0.0                 !
 ! A230  A(76,77,123)          119.0667         -DE/DX =    0.0                 !
 ! A231  A(78,77,123)          119.4856         -DE/DX =    0.0                 !
 ! A232  A(77,78,79)           120.5449         -DE/DX =    0.0                 !
 ! A233  A(77,78,124)          119.5973         -DE/DX =    0.0                 !
 ! A234  A(79,78,124)          119.8568         -DE/DX =    0.0                 !
 ! A235  A(53,79,78)           119.1604         -DE/DX =    0.0                 !
 ! A236  A(53,79,125)          120.3304         -DE/DX =    0.0                 !
 ! A237  A(78,79,125)          120.5083         -DE/DX =    0.0                 !
 ! D1    D(6,1,2,3)             -0.2984         -DE/DX =    0.0                 !
 ! D2    D(6,1,2,81)           177.866          -DE/DX =    0.0                 !
 ! D3    D(23,1,2,3)           179.8192         -DE/DX =    0.0                 !
 ! D4    D(23,1,2,81)           -2.0163         -DE/DX =    0.0                 !
 ! D5    D(2,1,6,5)              0.0226         -DE/DX =    0.0                 !
 ! D6    D(2,1,6,83)           178.3674         -DE/DX =    0.0                 !
 ! D7    D(23,1,6,5)           179.9049         -DE/DX =    0.0                 !
 ! D8    D(23,1,6,83)           -1.7503         -DE/DX =    0.0                 !
 ! D9    D(2,1,23,31)          143.0204         -DE/DX =    0.0                 !
 ! D10   D(2,1,23,35)          -37.0315         -DE/DX =    0.0                 !
 ! D11   D(6,1,23,31)          -36.8588         -DE/DX =    0.0                 !
 ! D12   D(6,1,23,35)          143.0892         -DE/DX =    0.0                 !
 ! D13   D(1,2,3,4)              0.3922         -DE/DX =    0.0                 !
 ! D14   D(1,2,3,7)            179.8098         -DE/DX =    0.0                 !
 ! D15   D(81,2,3,4)          -177.7347         -DE/DX =    0.0                 !
 ! D16   D(81,2,3,7)             1.6828         -DE/DX =    0.0                 !
 ! D17   D(2,3,4,5)             -0.2133         -DE/DX =    0.0                 !
 ! D18   D(2,3,4,10)           179.7897         -DE/DX =    0.0                 !
 ! D19   D(7,3,4,5)           -179.6468         -DE/DX =    0.0                 !
 ! D20   D(7,3,4,10)             0.3562         -DE/DX =    0.0                 !
 ! D21   D(2,3,7,8)           -179.8126         -DE/DX =    0.0                 !
 ! D22   D(2,3,7,11)             0.6794         -DE/DX =    0.0                 !
 ! D23   D(4,3,7,8)             -0.4048         -DE/DX =    0.0                 !
 ! D24   D(4,3,7,11)          -179.9128         -DE/DX =    0.0                 !
 ! D25   D(3,4,5,6)             -0.0477         -DE/DX =    0.0                 !
 ! D26   D(3,4,5,82)          -179.4064         -DE/DX =    0.0                 !
 ! D27   D(10,4,5,6)           179.9493         -DE/DX =    0.0                 !
 ! D28   D(10,4,5,82)            0.5906         -DE/DX =    0.0                 !
 ! D29   D(3,4,10,9)             0.0474         -DE/DX =    0.0                 !
 ! D30   D(3,4,10,18)         -179.9293         -DE/DX =    0.0                 !
 ! D31   D(5,4,10,9)          -179.9496         -DE/DX =    0.0                 !
 ! D32   D(5,4,10,18)            0.0737         -DE/DX =    0.0                 !
 ! D33   D(4,5,6,1)              0.1463         -DE/DX =    0.0                 !
 ! D34   D(4,5,6,83)          -178.1987         -DE/DX =    0.0                 !
 ! D35   D(82,5,6,1)           179.4882         -DE/DX =    0.0                 !
 ! D36   D(82,5,6,83)            1.1433         -DE/DX =    0.0                 !
 ! D37   D(3,7,8,9)              0.0408         -DE/DX =    0.0                 !
 ! D38   D(3,7,8,14)          -179.9273         -DE/DX =    0.0                 !
 ! D39   D(11,7,8,9)           179.564          -DE/DX =    0.0                 !
 ! D40   D(11,7,8,14)           -0.404          -DE/DX =    0.0                 !
 ! D41   D(3,7,11,12)          179.9524         -DE/DX =    0.0                 !
 ! D42   D(3,7,11,84)            1.9056         -DE/DX =    0.0                 !
 ! D43   D(8,7,11,12)            0.4318         -DE/DX =    0.0                 !
 ! D44   D(8,7,11,84)         -177.615          -DE/DX =    0.0                 !
 ! D45   D(7,8,9,10)             0.3678         -DE/DX =    0.0                 !
 ! D46   D(7,8,9,15)          -179.5577         -DE/DX =    0.0                 !
 ! D47   D(14,8,9,10)         -179.6649         -DE/DX =    0.0                 !
 ! D48   D(14,8,9,15)            0.4095         -DE/DX =    0.0                 !
 ! D49   D(7,8,14,13)            0.1411         -DE/DX =    0.0                 !
 ! D50   D(7,8,14,86)         -179.42           -DE/DX =    0.0                 !
 ! D51   D(9,8,14,13)         -179.8262         -DE/DX =    0.0                 !
 ! D52   D(9,8,14,86)            0.6127         -DE/DX =    0.0                 !
 ! D53   D(8,9,10,4)            -0.4156         -DE/DX =    0.0                 !
 ! D54   D(8,9,10,18)          179.5602         -DE/DX =    0.0                 !
 ! D55   D(15,9,10,4)          179.5137         -DE/DX =    0.0                 !
 ! D56   D(15,9,10,18)          -0.5105         -DE/DX =    0.0                 !
 ! D57   D(8,9,15,16)         -179.7103         -DE/DX =    0.0                 !
 ! D58   D(8,9,15,80)            1.0238         -DE/DX =    0.0                 !
 ! D59   D(8,9,15,126)           1.3761         -DE/DX =    0.0                 !
 ! D60   D(10,9,15,16)           0.3618         -DE/DX =    0.0                 !
 ! D61   D(10,9,15,80)        -178.9041         -DE/DX =    0.0                 !
 ! D62   D(10,9,15,126)       -178.5518         -DE/DX =    0.0                 !
 ! D63   D(4,10,18,17)        -179.9391         -DE/DX =    0.0                 !
 ! D64   D(9,10,18,17)           0.0848         -DE/DX =    0.0                 !
 ! D65   D(7,11,12,13)          -0.1793         -DE/DX =    0.0                 !
 ! D66   D(7,11,12,24)         179.9797         -DE/DX =    0.0                 !
 ! D67   D(84,11,12,13)        177.9            -DE/DX =    0.0                 !
 ! D68   D(84,11,12,24)         -1.941          -DE/DX =    0.0                 !
 ! D69   D(11,12,13,14)         -0.104          -DE/DX =    0.0                 !
 ! D70   D(11,12,13,85)        178.2302         -DE/DX =    0.0                 !
 ! D71   D(24,12,13,14)        179.7367         -DE/DX =    0.0                 !
 ! D72   D(24,12,13,85)         -1.9291         -DE/DX =    0.0                 !
 ! D73   D(11,12,24,26)        144.429          -DE/DX =    0.0                 !
 ! D74   D(11,12,24,30)        -35.6563         -DE/DX =    0.0                 !
 ! D75   D(13,12,24,26)        -35.4071         -DE/DX =    0.0                 !
 ! D76   D(13,12,24,30)        144.5076         -DE/DX =    0.0                 !
 ! D77   D(12,13,14,8)           0.1191         -DE/DX =    0.0                 !
 ! D78   D(12,13,14,86)        179.6904         -DE/DX =    0.0                 !
 ! D79   D(85,13,14,8)        -178.2353         -DE/DX =    0.0                 !
 ! D80   D(85,13,14,86)          1.336          -DE/DX =    0.0                 !
 ! D81   D(9,15,16,17)           0.1697         -DE/DX =    0.0                 !
 ! D82   D(9,15,16,19)        -179.9591         -DE/DX =    0.0                 !
 ! D83   D(80,15,16,17)        179.5069         -DE/DX =    0.0                 !
 ! D84   D(80,15,16,19)         -0.6218         -DE/DX =    0.0                 !
 ! D85   D(126,15,16,17)       179.3036         -DE/DX =    0.0                 !
 ! D86   D(126,15,16,19)        -0.8251         -DE/DX =    0.0                 !
 ! D87   D(15,16,17,18)         -0.6159         -DE/DX =    0.0                 !
 ! D88   D(15,16,17,22)       -179.9853         -DE/DX =    0.0                 !
 ! D89   D(19,16,17,18)        179.5107         -DE/DX =    0.0                 !
 ! D90   D(19,16,17,22)          0.1414         -DE/DX =    0.0                 !
 ! D91   D(15,16,19,20)       -179.8422         -DE/DX =    0.0                 !
 ! D92   D(15,16,19,87)         -0.448          -DE/DX =    0.0                 !
 ! D93   D(17,16,19,20)          0.0265         -DE/DX =    0.0                 !
 ! D94   D(17,16,19,87)        179.4207         -DE/DX =    0.0                 !
 ! D95   D(16,17,18,10)          0.4805         -DE/DX =    0.0                 !
 ! D96   D(22,17,18,10)        179.8466         -DE/DX =    0.0                 !
 ! D97   D(16,17,22,21)         -0.245          -DE/DX =    0.0                 !
 ! D98   D(16,17,22,89)        178.0858         -DE/DX =    0.0                 !
 ! D99   D(18,17,22,21)       -179.621          -DE/DX =    0.0                 !
 ! D100  D(18,17,22,89)         -1.2903         -DE/DX =    0.0                 !
 ! D101  D(16,19,20,21)         -0.0983         -DE/DX =    0.0                 !
 ! D102  D(16,19,20,88)        178.2621         -DE/DX =    0.0                 !
 ! D103  D(87,19,20,21)       -179.4688         -DE/DX =    0.0                 !
 ! D104  D(87,19,20,88)         -1.1085         -DE/DX =    0.0                 !
 ! D105  D(19,20,21,22)         -0.0017         -DE/DX =    0.0                 !
 ! D106  D(19,20,21,25)        179.8835         -DE/DX =    0.0                 !
 ! D107  D(88,20,21,22)       -178.3609         -DE/DX =    0.0                 !
 ! D108  D(88,20,21,25)          1.5243         -DE/DX =    0.0                 !
 ! D109  D(20,21,22,17)          0.1756         -DE/DX =    0.0                 !
 ! D110  D(20,21,22,89)       -178.0785         -DE/DX =    0.0                 !
 ! D111  D(25,21,22,17)       -179.7083         -DE/DX =    0.0                 !
 ! D112  D(25,21,22,89)          2.0376         -DE/DX =    0.0                 !
 ! D113  D(20,21,25,36)         35.3475         -DE/DX =    0.0                 !
 ! D114  D(20,21,25,40)       -144.8296         -DE/DX =    0.0                 !
 ! D115  D(22,21,25,36)       -144.7707         -DE/DX =    0.0                 !
 ! D116  D(22,21,25,40)         35.0521         -DE/DX =    0.0                 !
 ! D117  D(1,23,31,32)        -179.3747         -DE/DX =    0.0                 !
 ! D118  D(1,23,31,94)          -2.0437         -DE/DX =    0.0                 !
 ! D119  D(35,23,31,32)          0.6755         -DE/DX =    0.0                 !
 ! D120  D(35,23,31,94)        178.0065         -DE/DX =    0.0                 !
 ! D121  D(1,23,35,34)        -179.666          -DE/DX =    0.0                 !
 ! D122  D(1,23,35,97)          -2.4743         -DE/DX =    0.0                 !
 ! D123  D(31,23,35,34)          0.2837         -DE/DX =    0.0                 !
 ! D124  D(31,23,35,97)        177.4754         -DE/DX =    0.0                 !
 ! D125  D(12,24,26,27)       -179.3506         -DE/DX =    0.0                 !
 ! D126  D(12,24,26,90)         -1.9671         -DE/DX =    0.0                 !
 ! D127  D(30,24,26,27)          0.7318         -DE/DX =    0.0                 !
 ! D128  D(30,24,26,90)        178.1153         -DE/DX =    0.0                 !
 ! D129  D(12,24,30,29)       -179.6008         -DE/DX =    0.0                 !
 ! D130  D(12,24,30,93)         -2.5768         -DE/DX =    0.0                 !
 ! D131  D(26,24,30,29)          0.3164         -DE/DX =    0.0                 !
 ! D132  D(26,24,30,93)        177.3404         -DE/DX =    0.0                 !
 ! D133  D(21,25,36,37)        179.073          -DE/DX =    0.0                 !
 ! D134  D(21,25,36,98)          1.8392         -DE/DX =    0.0                 !
 ! D135  D(40,25,36,37)         -0.7553         -DE/DX =    0.0                 !
 ! D136  D(40,25,36,98)       -177.9891         -DE/DX =    0.0                 !
 ! D137  D(21,25,40,39)        179.9178         -DE/DX =    0.0                 !
 ! D138  D(21,25,40,101)         2.6504         -DE/DX =    0.0                 !
 ! D139  D(36,25,40,39)         -0.2538         -DE/DX =    0.0                 !
 ! D140  D(36,25,40,101)      -177.5212         -DE/DX =    0.0                 !
 ! D141  D(24,26,27,28)         -1.1214         -DE/DX =    0.0                 !
 ! D142  D(24,26,27,91)        177.5837         -DE/DX =    0.0                 !
 ! D143  D(90,26,27,28)       -178.5194         -DE/DX =    0.0                 !
 ! D144  D(90,26,27,91)          0.1857         -DE/DX =    0.0                 !
 ! D145  D(26,27,28,29)          0.4502         -DE/DX =    0.0                 !
 ! D146  D(26,27,28,42)       -179.4266         -DE/DX =    0.0                 !
 ! D147  D(91,27,28,29)       -178.2643         -DE/DX =    0.0                 !
 ! D148  D(91,27,28,42)          1.859          -DE/DX =    0.0                 !
 ! D149  D(27,28,29,30)          0.5831         -DE/DX =    0.0                 !
 ! D150  D(27,28,29,92)       -177.8653         -DE/DX =    0.0                 !
 ! D151  D(42,28,29,30)       -179.5401         -DE/DX =    0.0                 !
 ! D152  D(42,28,29,92)          2.0115         -DE/DX =    0.0                 !
 ! D153  D(27,28,42,44)         52.077          -DE/DX =    0.0                 !
 ! D154  D(27,28,42,47)       -127.9101         -DE/DX =    0.0                 !
 ! D155  D(29,28,42,44)       -127.7982         -DE/DX =    0.0                 !
 ! D156  D(29,28,42,47)         52.2147         -DE/DX =    0.0                 !
 ! D157  D(28,29,30,24)         -0.9742         -DE/DX =    0.0                 !
 ! D158  D(28,29,30,93)       -178.0157         -DE/DX =    0.0                 !
 ! D159  D(92,29,30,24)        177.4613         -DE/DX =    0.0                 !
 ! D160  D(92,29,30,93)          0.4199         -DE/DX =    0.0                 !
 ! D161  D(23,31,32,33)         -1.0343         -DE/DX =    0.0                 !
 ! D162  D(23,31,32,95)        177.6069         -DE/DX =    0.0                 !
 ! D163  D(94,31,32,33)       -178.3793         -DE/DX =    0.0                 !
 ! D164  D(94,31,32,95)          0.2619         -DE/DX =    0.0                 !
 ! D165  D(31,32,33,34)          0.4215         -DE/DX =    0.0                 !
 ! D166  D(31,32,33,41)       -179.5068         -DE/DX =    0.0                 !
 ! D167  D(95,32,33,34)       -178.2307         -DE/DX =    0.0                 !
 ! D168  D(95,32,33,41)          1.841          -DE/DX =    0.0                 !
 ! D169  D(32,33,34,35)          0.5236         -DE/DX =    0.0                 !
 ! D170  D(32,33,34,96)       -177.987          -DE/DX =    0.0                 !
 ! D171  D(41,33,34,35)       -179.5481         -DE/DX =    0.0                 !
 ! D172  D(41,33,34,96)          1.9413         -DE/DX =    0.0                 !
 ! D173  D(32,33,41,48)       -127.1962         -DE/DX =    0.0                 !
 ! D174  D(32,33,41,51)         52.7599         -DE/DX =    0.0                 !
 ! D175  D(34,33,41,48)         52.8765         -DE/DX =    0.0                 !
 ! D176  D(34,33,41,51)       -127.1674         -DE/DX =    0.0                 !
 ! D177  D(33,34,35,23)         -0.8836         -DE/DX =    0.0                 !
 ! D178  D(33,34,35,97)       -178.0891         -DE/DX =    0.0                 !
 ! D179  D(96,34,35,23)        177.6146         -DE/DX =    0.0                 !
 ! D180  D(96,34,35,97)          0.4091         -DE/DX =    0.0                 !
 ! D181  D(25,36,37,38)          1.1334         -DE/DX =    0.0                 !
 ! D182  D(25,36,37,99)       -177.5405         -DE/DX =    0.0                 !
 ! D183  D(98,36,37,38)        178.3911         -DE/DX =    0.0                 !
 ! D184  D(98,36,37,99)         -0.2829         -DE/DX =    0.0                 !
 ! D185  D(36,37,38,39)         -0.4881         -DE/DX =    0.0                 !
 ! D186  D(36,37,38,43)        179.3732         -DE/DX =    0.0                 !
 ! D187  D(99,37,38,39)        178.1953         -DE/DX =    0.0                 !
 ! D188  D(99,37,38,43)         -1.9434         -DE/DX =    0.0                 !
 ! D189  D(37,38,39,40)         -0.507          -DE/DX =    0.0                 !
 ! D190  D(37,38,39,100)       177.9332         -DE/DX =    0.0                 !
 ! D191  D(43,38,39,40)        179.6316         -DE/DX =    0.0                 !
 ! D192  D(43,38,39,100)        -1.9282         -DE/DX =    0.0                 !
 ! D193  D(37,38,43,52)        128.2433         -DE/DX =    0.0                 !
 ! D194  D(37,38,43,55)        -51.8358         -DE/DX =    0.0                 !
 ! D195  D(39,38,43,52)        -51.8972         -DE/DX =    0.0                 !
 ! D196  D(39,38,43,55)        128.0237         -DE/DX =    0.0                 !
 ! D197  D(38,39,40,25)          0.8843         -DE/DX =    0.0                 !
 ! D198  D(38,39,40,101)       178.1642         -DE/DX =    0.0                 !
 ! D199  D(100,39,40,25)      -177.5437         -DE/DX =    0.0                 !
 ! D200  D(100,39,40,101)       -0.2637         -DE/DX =    0.0                 !
 ! D201  D(33,41,48,49)        179.9127         -DE/DX =    0.0                 !
 ! D202  D(33,41,48,68)          2.0229         -DE/DX =    0.0                 !
 ! D203  D(51,41,48,49)         -0.0498         -DE/DX =    0.0                 !
 ! D204  D(51,41,48,68)       -177.9397         -DE/DX =    0.0                 !
 ! D205  D(33,41,51,50)        179.9836         -DE/DX =    0.0                 !
 ! D206  D(33,41,51,67)          2.0874         -DE/DX =    0.0                 !
 ! D207  D(48,41,51,50)         -0.0538         -DE/DX =    0.0                 !
 ! D208  D(48,41,51,67)       -177.9501         -DE/DX =    0.0                 !
 ! D209  D(28,42,44,45)        179.9525         -DE/DX =    0.0                 !
 ! D210  D(28,42,44,60)          2.124          -DE/DX =    0.0                 !
 ! D211  D(47,42,44,45)         -0.0585         -DE/DX =    0.0                 !
 ! D212  D(47,42,44,60)       -177.887          -DE/DX =    0.0                 !
 ! D213  D(28,42,47,46)        179.9409         -DE/DX =    0.0                 !
 ! D214  D(28,42,47,59)          2.1244         -DE/DX =    0.0                 !
 ! D215  D(44,42,47,46)         -0.0481         -DE/DX =    0.0                 !
 ! D216  D(44,42,47,59)       -177.8646         -DE/DX =    0.0                 !
 ! D217  D(38,43,52,53)        179.9919         -DE/DX =    0.0                 !
 ! D218  D(38,43,52,76)         -2.2336         -DE/DX =    0.0                 !
 ! D219  D(55,43,52,53)          0.0595         -DE/DX =    0.0                 !
 ! D220  D(55,43,52,76)        177.834          -DE/DX =    0.0                 !
 ! D221  D(38,43,55,54)       -179.8833         -DE/DX =    0.0                 !
 ! D222  D(38,43,55,75)         -2.0873         -DE/DX =    0.0                 !
 ! D223  D(52,43,55,54)          0.0491         -DE/DX =    0.0                 !
 ! D224  D(52,43,55,75)        177.8451         -DE/DX =    0.0                 !
 ! D225  D(42,44,45,46)          0.139          -DE/DX =    0.0                 !
 ! D226  D(42,44,45,63)       -179.2043         -DE/DX =    0.0                 !
 ! D227  D(60,44,45,46)        178.1736         -DE/DX =    0.0                 !
 ! D228  D(60,44,45,63)         -1.1697         -DE/DX =    0.0                 !
 ! D229  D(42,44,60,61)        178.7205         -DE/DX =    0.0                 !
 ! D230  D(42,44,60,106)        -0.821          -DE/DX =    0.0                 !
 ! D231  D(45,44,60,61)          1.1312         -DE/DX =    0.0                 !
 ! D232  D(45,44,60,106)      -178.4103         -DE/DX =    0.0                 !
 ! D233  D(44,45,46,47)         -0.1655         -DE/DX =    0.0                 !
 ! D234  D(44,45,46,56)        179.0336         -DE/DX =    0.0                 !
 ! D235  D(63,45,46,47)        179.0472         -DE/DX =    0.0                 !
 ! D236  D(63,45,46,56)         -1.7537         -DE/DX =    0.0                 !
 ! D237  D(44,45,63,62)          0.3565         -DE/DX =    0.0                 !
 ! D238  D(44,45,63,109)      -179.9545         -DE/DX =    0.0                 !
 ! D239  D(46,45,63,62)       -178.7775         -DE/DX =    0.0                 !
 ! D240  D(46,45,63,109)         0.9114         -DE/DX =    0.0                 !
 ! D241  D(45,46,47,42)          0.1326         -DE/DX =    0.0                 !
 ! D242  D(45,46,47,59)        178.1576         -DE/DX =    0.0                 !
 ! D243  D(56,46,47,42)       -179.1995         -DE/DX =    0.0                 !
 ! D244  D(56,46,47,59)         -1.1745         -DE/DX =    0.0                 !
 ! D245  D(45,46,56,57)       -178.7534         -DE/DX =    0.0                 !
 ! D246  D(45,46,56,102)         0.9118         -DE/DX =    0.0                 !
 ! D247  D(47,46,56,57)          0.3657         -DE/DX =    0.0                 !
 ! D248  D(47,46,56,102)      -179.9691         -DE/DX =    0.0                 !
 ! D249  D(42,47,59,58)        178.7019         -DE/DX =    0.0                 !
 ! D250  D(42,47,59,105)        -0.7967         -DE/DX =    0.0                 !
 ! D251  D(46,47,59,58)          1.1249         -DE/DX =    0.0                 !
 ! D252  D(46,47,59,105)      -178.3737         -DE/DX =    0.0                 !
 ! D253  D(41,48,49,50)          0.1308         -DE/DX =    0.0                 !
 ! D254  D(41,48,49,71)       -179.2197         -DE/DX =    0.0                 !
 ! D255  D(68,48,49,50)        178.2211         -DE/DX =    0.0                 !
 ! D256  D(68,48,49,71)         -1.1294         -DE/DX =    0.0                 !
 ! D257  D(41,48,68,69)        178.7344         -DE/DX =    0.0                 !
 ! D258  D(41,48,68,114)        -0.7978         -DE/DX =    0.0                 !
 ! D259  D(49,48,68,69)          1.0765         -DE/DX =    0.0                 !
 ! D260  D(49,48,68,114)      -178.4556         -DE/DX =    0.0                 !
 ! D261  D(48,49,50,51)         -0.1609         -DE/DX =    0.0                 !
 ! D262  D(48,49,50,64)        179.0706         -DE/DX =    0.0                 !
 ! D263  D(71,49,50,51)        179.06           -DE/DX =    0.0                 !
 ! D264  D(71,49,50,64)         -1.7085         -DE/DX =    0.0                 !
 ! D265  D(48,49,71,70)          0.3578         -DE/DX =    0.0                 !
 ! D266  D(48,49,71,117)      -179.9625         -DE/DX =    0.0                 !
 ! D267  D(50,49,71,70)       -178.7853         -DE/DX =    0.0                 !
 ! D268  D(50,49,71,117)         0.8944         -DE/DX =    0.0                 !
 ! D269  D(49,50,51,41)          0.1333         -DE/DX =    0.0                 !
 ! D270  D(49,50,51,67)        178.2291         -DE/DX =    0.0                 !
 ! D271  D(64,50,51,41)       -179.226          -DE/DX =    0.0                 !
 ! D272  D(64,50,51,67)         -1.1302         -DE/DX =    0.0                 !
 ! D273  D(49,50,64,65)       -178.8015         -DE/DX =    0.0                 !
 ! D274  D(49,50,64,110)         0.8849         -DE/DX =    0.0                 !
 ! D275  D(51,50,64,65)          0.3533         -DE/DX =    0.0                 !
 ! D276  D(51,50,64,110)      -179.9603         -DE/DX =    0.0                 !
 ! D277  D(41,51,67,66)        178.7473         -DE/DX =    0.0                 !
 ! D278  D(41,51,67,113)        -0.7902         -DE/DX =    0.0                 !
 ! D279  D(50,51,67,66)          1.0826         -DE/DX =    0.0                 !
 ! D280  D(50,51,67,113)      -178.4549         -DE/DX =    0.0                 !
 ! D281  D(43,52,53,54)         -0.1415         -DE/DX =    0.0                 !
 ! D282  D(43,52,53,79)        179.1783         -DE/DX =    0.0                 !
 ! D283  D(76,52,53,54)       -178.1282         -DE/DX =    0.0                 !
 ! D284  D(76,52,53,79)          1.1916         -DE/DX =    0.0                 !
 ! D285  D(43,52,76,77)       -178.6797         -DE/DX =    0.0                 !
 ! D286  D(43,52,76,122)         0.8132         -DE/DX =    0.0                 !
 ! D287  D(53,52,76,77)         -1.1498         -DE/DX =    0.0                 !
 ! D288  D(53,52,76,122)       178.343          -DE/DX =    0.0                 !
 ! D289  D(52,53,54,55)          0.1687         -DE/DX =    0.0                 !
 ! D290  D(52,53,54,72)       -179.0331         -DE/DX =    0.0                 !
 ! D291  D(79,53,54,55)       -179.0159         -DE/DX =    0.0                 !
 ! D292  D(79,53,54,72)          1.7823         -DE/DX =    0.0                 !
 ! D293  D(52,53,79,78)         -0.3637         -DE/DX =    0.0                 !
 ! D294  D(52,53,79,125)       179.968          -DE/DX =    0.0                 !
 ! D295  D(54,53,79,78)        178.7394         -DE/DX =    0.0                 !
 ! D296  D(54,53,79,125)        -0.9288         -DE/DX =    0.0                 !
 ! D297  D(53,54,55,43)         -0.1352         -DE/DX =    0.0                 !
 ! D298  D(53,54,55,75)       -178.1411         -DE/DX =    0.0                 !
 ! D299  D(72,54,55,43)        179.1988         -DE/DX =    0.0                 !
 ! D300  D(72,54,55,75)          1.1929         -DE/DX =    0.0                 !
 ! D301  D(53,54,72,73)        178.7579         -DE/DX =    0.0                 !
 ! D302  D(53,54,72,118)        -0.9229         -DE/DX =    0.0                 !
 ! D303  D(55,54,72,73)         -0.3642         -DE/DX =    0.0                 !
 ! D304  D(55,54,72,118)       179.955          -DE/DX =    0.0                 !
 ! D305  D(43,55,75,74)       -178.7053         -DE/DX =    0.0                 !
 ! D306  D(43,55,75,121)         0.8133         -DE/DX =    0.0                 !
 ! D307  D(54,55,75,74)         -1.152          -DE/DX =    0.0                 !
 ! D308  D(54,55,75,121)       178.3666         -DE/DX =    0.0                 !
 ! D309  D(46,56,57,58)          0.439          -DE/DX =    0.0                 !
 ! D310  D(46,56,57,103)      -179.9254         -DE/DX =    0.0                 !
 ! D311  D(102,56,57,58)      -179.2256         -DE/DX =    0.0                 !
 ! D312  D(102,56,57,103)        0.41           -DE/DX =    0.0                 !
 ! D313  D(56,57,58,59)         -0.4796         -DE/DX =    0.0                 !
 ! D314  D(56,57,58,104)       179.2834         -DE/DX =    0.0                 !
 ! D315  D(103,57,58,59)       179.8839         -DE/DX =    0.0                 !
 ! D316  D(103,57,58,104)       -0.3532         -DE/DX =    0.0                 !
 ! D317  D(57,58,59,47)         -0.3021         -DE/DX =    0.0                 !
 ! D318  D(57,58,59,105)       179.1991         -DE/DX =    0.0                 !
 ! D319  D(104,58,59,47)       179.934          -DE/DX =    0.0                 !
 ! D320  D(104,58,59,105)       -0.5648         -DE/DX =    0.0                 !
 ! D321  D(44,60,61,62)         -0.3157         -DE/DX =    0.0                 !
 ! D322  D(44,60,61,107)       179.8812         -DE/DX =    0.0                 !
 ! D323  D(106,60,61,62)       179.2287         -DE/DX =    0.0                 !
 ! D324  D(106,60,61,107)       -0.5744         -DE/DX =    0.0                 !
 ! D325  D(60,61,62,63)         -0.4695         -DE/DX =    0.0                 !
 ! D326  D(60,61,62,108)       179.8644         -DE/DX =    0.0                 !
 ! D327  D(107,61,62,63)       179.3327         -DE/DX =    0.0                 !
 ! D328  D(107,61,62,108)       -0.3334         -DE/DX =    0.0                 !
 ! D329  D(61,62,63,45)          0.4407         -DE/DX =    0.0                 !
 ! D330  D(61,62,63,109)      -179.2477         -DE/DX =    0.0                 !
 ! D331  D(108,62,63,45)      -179.8941         -DE/DX =    0.0                 !
 ! D332  D(108,62,63,109)        0.4175         -DE/DX =    0.0                 !
 ! D333  D(50,64,65,66)          0.4188         -DE/DX =    0.0                 !
 ! D334  D(50,64,65,111)      -179.9141         -DE/DX =    0.0                 !
 ! D335  D(110,64,65,66)      -179.267          -DE/DX =    0.0                 !
 ! D336  D(110,64,65,111)        0.4001         -DE/DX =    0.0                 !
 ! D337  D(64,65,66,67)         -0.4575         -DE/DX =    0.0                 !
 ! D338  D(64,65,66,112)       179.3363         -DE/DX =    0.0                 !
 ! D339  D(111,65,66,67)       179.8745         -DE/DX =    0.0                 !
 ! D340  D(111,65,66,112)       -0.3317         -DE/DX =    0.0                 !
 ! D341  D(65,66,67,51)         -0.2927         -DE/DX =    0.0                 !
 ! D342  D(65,66,67,113)       179.2473         -DE/DX =    0.0                 !
 ! D343  D(112,66,67,51)       179.9128         -DE/DX =    0.0                 !
 ! D344  D(112,66,67,113)       -0.5473         -DE/DX =    0.0                 !
 ! D345  D(48,68,69,70)         -0.2862         -DE/DX =    0.0                 !
 ! D346  D(48,68,69,115)       179.9307         -DE/DX =    0.0                 !
 ! D347  D(114,68,69,70)       179.2482         -DE/DX =    0.0                 !
 ! D348  D(114,68,69,115)       -0.5349         -DE/DX =    0.0                 !
 ! D349  D(68,69,70,71)         -0.459          -DE/DX =    0.0                 !
 ! D350  D(68,69,70,116)       179.8782         -DE/DX =    0.0                 !
 ! D351  D(115,69,70,71)       179.3233         -DE/DX =    0.0                 !
 ! D352  D(115,69,70,116)       -0.3395         -DE/DX =    0.0                 !
 ! D353  D(69,70,71,49)          0.4147         -DE/DX =    0.0                 !
 ! D354  D(69,70,71,117)      -179.2645         -DE/DX =    0.0                 !
 ! D355  D(116,70,71,49)      -179.9234         -DE/DX =    0.0                 !
 ! D356  D(116,70,71,117)        0.3974         -DE/DX =    0.0                 !
 ! D357  D(54,72,73,74)         -0.4502         -DE/DX =    0.0                 !
 ! D358  D(54,72,73,119)       179.8973         -DE/DX =    0.0                 !
 ! D359  D(118,72,73,74)       179.23           -DE/DX =    0.0                 !
 ! D360  D(118,72,73,119)       -0.4225         -DE/DX =    0.0                 !
 ! D361  D(72,73,74,75)          0.4814         -DE/DX =    0.0                 !
 ! D362  D(72,73,74,120)      -179.3124         -DE/DX =    0.0                 !
 ! D363  D(119,73,74,75)      -179.8652         -DE/DX =    0.0                 !
 ! D364  D(119,73,74,120)        0.341          -DE/DX =    0.0                 !
 ! D365  D(73,74,75,55)          0.319          -DE/DX =    0.0                 !
 ! D366  D(73,74,75,121)      -179.2026         -DE/DX =    0.0                 !
 ! D367  D(120,74,75,55)      -179.8863         -DE/DX =    0.0                 !
 ! D368  D(120,74,75,121)        0.5921         -DE/DX =    0.0                 !
 ! D369  D(52,76,77,78)          0.3168         -DE/DX =    0.0                 !
 ! D370  D(52,76,77,123)      -179.9074         -DE/DX =    0.0                 !
 ! D371  D(122,76,77,78)      -179.179          -DE/DX =    0.0                 !
 ! D372  D(122,76,77,123)        0.5968         -DE/DX =    0.0                 !
 ! D373  D(76,77,78,79)          0.483          -DE/DX =    0.0                 !
 ! D374  D(76,77,78,124)      -179.8787         -DE/DX =    0.0                 !
 ! D375  D(123,77,78,79)      -179.2919         -DE/DX =    0.0                 !
 ! D376  D(123,77,78,124)        0.3464         -DE/DX =    0.0                 !
 ! D377  D(77,78,79,53)         -0.4508         -DE/DX =    0.0                 !
 ! D378  D(77,78,79,125)       179.2168         -DE/DX =    0.0                 !
 ! D379  D(124,78,79,53)       179.9117         -DE/DX =    0.0                 !
 ! D380  D(124,78,79,125)       -0.4207         -DE/DX =    0.0                 !
 --------------------------------------------------------------------------------
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C74H46ClN5
 Framework group  C1[X(C74H46ClN5)]
 Deg. of freedom   372
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        1.256303    2.444096   -0.054612
      2          6           0        1.596558    1.090262   -0.028304
      3          6           0        0.629822    0.068310   -0.002349
      4          6           0       -0.733284    0.444673   -0.011893
      5          6           0       -1.082753    1.807710   -0.041950
      6          6           0       -0.111876    2.789419   -0.061412
      7          6           0        0.992561   -1.358925    0.021232
      8          6           0       -0.016909   -2.366559    0.043228
      9          6           0       -1.413749   -1.970388    0.041257
     10          6           0       -1.779079   -0.573382    0.009339
     11          6           0        2.334686   -1.768581    0.033075
     12          6           0        2.715624   -3.113060    0.056426
     13          6           0        1.699277   -4.088326    0.072274
     14          6           0        0.366811   -3.725843    0.067090
     15          7           0       -2.416530   -2.866178    0.069972
     16          6           0       -3.728719   -2.491483    0.062219
     17          6           0       -4.030161   -1.097891    0.018397
     18          7           0       -3.043236   -0.175500   -0.002019
     19          6           0       -4.774825   -3.444443    0.093577
     20          6           0       -6.074394   -2.997611    0.080305
     21          6           0       -6.411800   -1.607562    0.038124
     22          6           0       -5.383334   -0.681429    0.009753
     23          6           0        2.305795    3.491035   -0.077479
     24          6           0        4.145450   -3.498449    0.067760
     25          6           0       -7.830928   -1.183088    0.022958
     26          6           0        4.584075   -4.622145    0.789650
     27          6           0        5.926753   -4.983244    0.816468
     28          6           0        6.872708   -4.239288    0.098138
     29          6           0        6.448256   -3.124222   -0.637369
     30          6           0        5.106816   -2.757553   -0.641358
     31          6           0        2.136535    4.668643   -0.825552
     32          6           0        3.122402    5.649332   -0.861881
     33          6           0        4.305366    5.488359   -0.128280
     34          6           0        4.483295    4.325010    0.632384
     35          6           0        3.500514    3.340704    0.647221
     36          6           0       -8.809417   -1.893949    0.738966
     37          6           0      -10.139258   -1.486501    0.741828
     38          6           0      -10.535164   -0.362407    0.004558
     39          6           0       -9.572050    0.348678   -0.724953
     40          6           0       -8.241311   -0.053345   -0.705734
     41          7           0        5.307493    6.488941   -0.153947
     42          7           0        8.238945   -4.610319    0.112742
     43          7           0      -11.889522    0.048147   -0.006129
     44          6           0        8.747031   -5.885562   -0.176089
     45          6           0       10.159018   -5.855518   -0.055156
     46          6           0       10.521134   -4.506115    0.326067
     47          6           0        9.315643   -3.765779    0.418695
     48          6           0        6.661676    6.286631   -0.455975
     49          6           0        7.340388    7.528846   -0.378373
     50          6           0        6.355556    8.524989   -0.010764
     51          6           0        5.114930    7.851080    0.117429
     52          6           0      -12.357668    1.340881    0.271666
     53          6           0      -13.770614    1.351803    0.158228
     54          6           0      -14.175047    0.009916   -0.206831
     55          6           0      -12.993256   -0.767375   -0.297773
     56          6           0       11.740207   -3.878278    0.605331
     57          6           0       11.743023   -2.537169    0.976993
     58          6           0       10.538011   -1.822531    1.080392
     59          6           0        9.310890   -2.423400    0.807354
     60          6           0        8.071643   -7.043267   -0.571715
     61          6           0        8.832053   -8.183395   -0.822739
     62          6           0       10.230783   -8.175389   -0.691366
     63          6           0       10.899093   -7.015015   -0.312993
     64          6           0        6.421197    9.902149    0.229454
     65          6           0        5.264207   10.582042    0.597677
     66          6           0        4.046086    9.895881    0.735964
     67          6           0        3.953029    8.525503    0.502233
     68          6           0        7.324242    5.113732   -0.827788
     69          6           0        8.688049    5.197798   -1.100229
     70          6           0        9.379187    6.417765   -1.012249
     71          6           0        8.710767    7.585353   -0.656627
     72          6           0      -15.414195   -0.583436   -0.473114
     73          6           0      -15.459281   -1.927573   -0.830411
     74          6           0      -14.276925   -2.679297   -0.932580
     75          6           0      -13.030688   -2.113129   -0.672479
     76          6           0      -11.646402    2.481928    0.652491
     77          6           0      -12.371111    3.646843    0.895841
     78          6           0      -13.769969    3.679221    0.771292
     79          6           0      -14.474326    2.535326    0.407975
     80          1           0       -2.267874   -3.974368    0.113949
     81          1           0        2.647932    0.835372   -0.058976
     82          1           0       -2.134511    2.067001   -0.038745
     83          1           0       -0.403261    3.834657   -0.054876
     84          1           0        3.118609   -1.023099    0.056076
     85          1           0        1.955764   -5.142228    0.061565
     86          1           0       -0.382013   -4.514092    0.074696
     87          1           0       -4.520702   -4.500032    0.117116
     88          1           0       -6.875805   -3.728961    0.075477
     89          1           0       -5.574962    0.385590    0.008261
     90          1           0        3.871623   -5.197275    1.372387
     91          1           0        6.252576   -5.830257    1.410329
     92          1           0        7.169915   -2.565246   -1.223146
     93          1           0        4.794164   -1.910127   -1.243597
     94          1           0        1.239196    4.800648   -1.422044
     95          1           0        2.991224    6.534191   -1.475309
     96          1           0        5.382274    4.209507    1.228205
     97          1           0        3.643905    2.461349    1.267544
     98          1           0       -8.522089   -2.751851    1.338699
     99          1           0      -10.873476   -2.023931    1.331953
    100          1           0       -9.877357    1.199324   -1.324480
    101          1           0       -7.516177    0.492541   -1.301147
    102          1           0       12.671246   -4.433613    0.537723
    103          1           0       12.682408   -2.038721    1.194968
    104          1           0       10.559400   -0.779797    1.383175
    105          1           0        8.385380   -1.866800    0.902536
    106          1           0        6.993895   -7.057215   -0.688202
    107          1           0        8.329123   -9.095593   -1.129570
    108          1           0       10.793181   -9.081822   -0.892497
    109          1           0       11.981555   -7.006244   -0.223407
    110          1           0        7.365018   10.431247    0.134278
    111          1           0        5.301874   11.650555    0.785377
    112          1           0        3.156129   10.441861    1.034661
    113          1           0        3.010832    8.002960    0.623429
    114          1           0        6.797248    4.169814   -0.910197
    115          1           0        9.224813    4.299324   -1.390045
    116          1           0       10.442355    6.448382   -1.229250
    117          1           0        9.243436    8.530286   -0.600406
    118          1           0      -16.327662    0.000435   -0.406407
    119          1           0      -16.414369   -2.399921   -1.037848
    120          1           0      -14.331161   -3.724076   -1.223620
    121          1           0      -12.123525   -2.699181   -0.766850
    122          1           0      -10.568186    2.464361    0.764338
    123          1           0      -11.839841    4.546629    1.191580
    124          1           0      -14.304334    4.603786    0.966242
    125          1           0      -15.557029    2.557793    0.324173
    126         17           0       -2.347326   -5.787699    0.197644
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           0.0230095           0.0074953           0.0056912
 Hyperfine terms turned off by default for NAtoms > 100.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues -- -101.41373 -14.42854 -14.39147 -14.39139 -14.38932
 Alpha  occ. eigenvalues --  -14.37718 -10.29209 -10.27501 -10.27454 -10.26430
 Alpha  occ. eigenvalues --  -10.25348 -10.25275 -10.25063 -10.23548 -10.23542
 Alpha  occ. eigenvalues --  -10.23308 -10.23205 -10.23150 -10.23143 -10.23123
 Alpha  occ. eigenvalues --  -10.23093 -10.22950 -10.22884 -10.22798 -10.22718
 Alpha  occ. eigenvalues --  -10.22653 -10.22504 -10.22368 -10.22236 -10.22030
 Alpha  occ. eigenvalues --  -10.21961 -10.21633 -10.21579 -10.21557 -10.21555
 Alpha  occ. eigenvalues --  -10.21491 -10.21473 -10.21418 -10.21365 -10.21349
 Alpha  occ. eigenvalues --  -10.21325 -10.21317 -10.21305 -10.21300 -10.21290
 Alpha  occ. eigenvalues --  -10.21154 -10.21071 -10.20984 -10.20721 -10.20539
 Alpha  occ. eigenvalues --  -10.19526 -10.19507 -10.19491 -10.19467 -10.19443
 Alpha  occ. eigenvalues --  -10.19427 -10.19423 -10.19404 -10.19390 -10.19388
 Alpha  occ. eigenvalues --  -10.19370 -10.19361 -10.19357 -10.19347 -10.19330
 Alpha  occ. eigenvalues --  -10.19325 -10.19262 -10.19257 -10.19213 -10.19201
 Alpha  occ. eigenvalues --  -10.19195 -10.19189 -10.19135 -10.19048 -10.18759
 Alpha  occ. eigenvalues --  -10.18753 -10.18730 -10.18672 -10.18585 -10.18477
 Alpha  occ. eigenvalues --   -9.33010  -7.08897  -7.08717  -7.08668  -1.03413
 Alpha  occ. eigenvalues --   -0.99786  -0.99768  -0.99559  -0.96242  -0.91183
 Alpha  occ. eigenvalues --   -0.89381  -0.89058  -0.88435  -0.87579  -0.87190
 Alpha  occ. eigenvalues --   -0.85414  -0.84972  -0.84921  -0.84867  -0.84770
 Alpha  occ. eigenvalues --   -0.84679  -0.82974  -0.81098  -0.80602  -0.79565
 Alpha  occ. eigenvalues --   -0.79209  -0.78710  -0.77770  -0.77528  -0.77198
 Alpha  occ. eigenvalues --   -0.77090  -0.76924  -0.76312  -0.75436  -0.75358
 Alpha  occ. eigenvalues --   -0.75285  -0.75170  -0.74983  -0.74715  -0.73144
 Alpha  occ. eigenvalues --   -0.72360  -0.72095  -0.72039  -0.71861  -0.71765
 Alpha  occ. eigenvalues --   -0.70869  -0.68929  -0.68478  -0.66589  -0.65831
 Alpha  occ. eigenvalues --   -0.65769  -0.65155  -0.64442  -0.63940  -0.63789
 Alpha  occ. eigenvalues --   -0.63187  -0.63024  -0.62744  -0.62069  -0.61597
 Alpha  occ. eigenvalues --   -0.60964  -0.60569  -0.60529  -0.60268  -0.59533
 Alpha  occ. eigenvalues --   -0.58744  -0.58583  -0.58164  -0.57949  -0.57904
 Alpha  occ. eigenvalues --   -0.57768  -0.57627  -0.57069  -0.55542  -0.54738
 Alpha  occ. eigenvalues --   -0.54437  -0.54378  -0.53386  -0.52181  -0.52109
 Alpha  occ. eigenvalues --   -0.52040  -0.51899  -0.51627  -0.50976  -0.50753
 Alpha  occ. eigenvalues --   -0.50470  -0.49721  -0.49638  -0.48992  -0.48797
 Alpha  occ. eigenvalues --   -0.48690  -0.48319  -0.47490  -0.47158  -0.47033
 Alpha  occ. eigenvalues --   -0.46825  -0.46778  -0.46418  -0.46091  -0.45865
 Alpha  occ. eigenvalues --   -0.45820  -0.45710  -0.45617  -0.45561  -0.45535
 Alpha  occ. eigenvalues --   -0.45121  -0.44850  -0.44357  -0.44342  -0.44239
 Alpha  occ. eigenvalues --   -0.44103  -0.44084  -0.44047  -0.43880  -0.43837
 Alpha  occ. eigenvalues --   -0.43715  -0.43479  -0.42688  -0.42678  -0.42583
 Alpha  occ. eigenvalues --   -0.42503  -0.42398  -0.42360  -0.42244  -0.42145
 Alpha  occ. eigenvalues --   -0.41948  -0.41853  -0.41614  -0.41148  -0.40588
 Alpha  occ. eigenvalues --   -0.40370  -0.39497  -0.39268  -0.39039  -0.38746
 Alpha  occ. eigenvalues --   -0.38685  -0.38165  -0.37937  -0.37477  -0.37349
 Alpha  occ. eigenvalues --   -0.37125  -0.37015  -0.36955  -0.36775  -0.36678
 Alpha  occ. eigenvalues --   -0.36632  -0.36503  -0.36449  -0.36328  -0.35746
 Alpha  occ. eigenvalues --   -0.35736  -0.35669  -0.35503  -0.35307  -0.34466
 Alpha  occ. eigenvalues --   -0.34417  -0.34242  -0.34023  -0.33974  -0.33788
 Alpha  occ. eigenvalues --   -0.33484  -0.33194  -0.33006  -0.31794  -0.30745
 Alpha  occ. eigenvalues --   -0.30028  -0.29876  -0.28652  -0.28445  -0.28273
 Alpha  occ. eigenvalues --   -0.28031  -0.27605  -0.27579  -0.27413  -0.27299
 Alpha  occ. eigenvalues --   -0.25963  -0.25692  -0.25637  -0.25459  -0.25395
 Alpha  occ. eigenvalues --   -0.24282  -0.23990  -0.22964  -0.21859  -0.21803
 Alpha  occ. eigenvalues --   -0.21626  -0.21618  -0.21357  -0.20458  -0.20434
 Alpha  occ. eigenvalues --   -0.20202
 Alpha virt. eigenvalues --   -0.12488  -0.08059  -0.05715  -0.05000  -0.04471
 Alpha virt. eigenvalues --   -0.03286  -0.03226  -0.03053  -0.02868  -0.02755
 Alpha virt. eigenvalues --   -0.02579  -0.02450  -0.01239   0.00054   0.00096
 Alpha virt. eigenvalues --    0.00113   0.00285   0.00641   0.01786   0.02727
 Alpha virt. eigenvalues --    0.03029   0.03363   0.03739   0.03792   0.03972
 Alpha virt. eigenvalues --    0.07030   0.07577   0.08433   0.08662   0.09306
 Alpha virt. eigenvalues --    0.09753   0.09786   0.10022   0.10053   0.10117
 Alpha virt. eigenvalues --    0.10209   0.10312   0.10507   0.10886   0.11177
 Alpha virt. eigenvalues --    0.11778   0.12006   0.12565   0.12644   0.12792
 Alpha virt. eigenvalues --    0.12812   0.13044   0.14080   0.14399   0.14548
 Alpha virt. eigenvalues --    0.14826   0.14989   0.15198   0.15232   0.15353
 Alpha virt. eigenvalues --    0.15418   0.15441   0.15550   0.15603   0.15722
 Alpha virt. eigenvalues --    0.15865   0.16006   0.16218   0.16340   0.17009
 Alpha virt. eigenvalues --    0.17398   0.17739   0.17794   0.17882   0.17989
 Alpha virt. eigenvalues --    0.17994   0.18180   0.18523   0.18901   0.19198
 Alpha virt. eigenvalues --    0.19253   0.19388   0.19421   0.19510   0.19623
 Alpha virt. eigenvalues --    0.19831   0.20009   0.20295   0.20415   0.20461
 Alpha virt. eigenvalues --    0.20754   0.20826   0.21046   0.21535   0.21709
 Alpha virt. eigenvalues --    0.21743   0.22022   0.22697   0.23580   0.24043
 Alpha virt. eigenvalues --    0.24672   0.24908   0.24962   0.25044   0.25065
 Alpha virt. eigenvalues --    0.25266   0.25483   0.25754   0.25817   0.25981
 Alpha virt. eigenvalues --    0.26342   0.26803   0.26843   0.27057   0.27379
 Alpha virt. eigenvalues --    0.27882   0.28436   0.28553   0.28977   0.29037
 Alpha virt. eigenvalues --    0.29190   0.29581   0.30172   0.30385   0.30715
 Alpha virt. eigenvalues --    0.30785   0.30899   0.31233   0.31819   0.32010
 Alpha virt. eigenvalues --    0.32566   0.32675   0.33000   0.33498   0.33694
 Alpha virt. eigenvalues --    0.33948   0.34342   0.34918   0.35027   0.35217
 Alpha virt. eigenvalues --    0.35284   0.35492   0.36340   0.36546   0.36929
 Alpha virt. eigenvalues --    0.37501   0.38290   0.38396   0.38437   0.38514
 Alpha virt. eigenvalues --    0.38620   0.38713   0.40110   0.40401   0.41197
 Alpha virt. eigenvalues --    0.41313   0.41440   0.42137   0.42933   0.44367
 Alpha virt. eigenvalues --    0.44696   0.45525   0.45615   0.45761   0.45935
 Alpha virt. eigenvalues --    0.46117   0.47019   0.47527   0.47931   0.48477
 Alpha virt. eigenvalues --    0.48833   0.49049   0.49101   0.49267   0.49461
 Alpha virt. eigenvalues --    0.49622   0.49921   0.49951   0.50452   0.50710
 Alpha virt. eigenvalues --    0.51068   0.51215   0.51324   0.51487   0.51518
 Alpha virt. eigenvalues --    0.51628   0.51936   0.51988   0.52160   0.52271
 Alpha virt. eigenvalues --    0.52471   0.52595   0.52755   0.52808   0.52884
 Alpha virt. eigenvalues --    0.52932   0.53102   0.53218   0.53439   0.53490
 Alpha virt. eigenvalues --    0.53668   0.53798   0.53980   0.54038   0.54104
 Alpha virt. eigenvalues --    0.54216   0.54489   0.54543   0.54697   0.55016
 Alpha virt. eigenvalues --    0.55081   0.55241   0.55333   0.55468   0.55547
 Alpha virt. eigenvalues --    0.55733   0.55947   0.56027   0.56031   0.56136
 Alpha virt. eigenvalues --    0.56231   0.56365   0.56633   0.56744   0.56844
 Alpha virt. eigenvalues --    0.56919   0.57067   0.57246   0.57303   0.57356
 Alpha virt. eigenvalues --    0.57504   0.57525   0.57609   0.57727   0.57922
 Alpha virt. eigenvalues --    0.57963   0.58055   0.58221   0.58346   0.58434
 Alpha virt. eigenvalues --    0.58647   0.58872   0.58893   0.59027   0.59164
 Alpha virt. eigenvalues --    0.59245   0.59375   0.59571   0.59676   0.59750
 Alpha virt. eigenvalues --    0.60059   0.60504   0.60649   0.60674   0.60868
 Alpha virt. eigenvalues --    0.60979   0.61000   0.61041   0.61049   0.61083
 Alpha virt. eigenvalues --    0.61166   0.61201   0.61218   0.61332   0.61563
 Alpha virt. eigenvalues --    0.61686   0.61754   0.61909   0.62084   0.62194
 Alpha virt. eigenvalues --    0.62638   0.62677   0.62869   0.63068   0.63215
 Alpha virt. eigenvalues --    0.63418   0.63439   0.63535   0.63560   0.63703
 Alpha virt. eigenvalues --    0.63731   0.63778   0.63882   0.63976   0.64159
 Alpha virt. eigenvalues --    0.64295   0.64344   0.64461   0.64549   0.64822
 Alpha virt. eigenvalues --    0.64908   0.65249   0.65544   0.66144   0.67528
 Alpha virt. eigenvalues --    0.68335   0.68388   0.68823   0.68908   0.69044
 Alpha virt. eigenvalues --    0.69332   0.69543   0.70010   0.70225   0.70303
 Alpha virt. eigenvalues --    0.70521   0.71270   0.71751   0.72798   0.73610
 Alpha virt. eigenvalues --    0.73773   0.73830   0.74016   0.74515   0.75709
 Alpha virt. eigenvalues --    0.76170   0.76393   0.76537   0.76806   0.77128
 Alpha virt. eigenvalues --    0.77231   0.77495   0.77842   0.77959   0.78184
 Alpha virt. eigenvalues --    0.78548   0.78608   0.78998   0.79047   0.79085
 Alpha virt. eigenvalues --    0.79146   0.79244   0.79361   0.79572   0.79641
 Alpha virt. eigenvalues --    0.80187   0.80673   0.80763   0.80974   0.81151
 Alpha virt. eigenvalues --    0.81324   0.81588   0.81647   0.81731   0.81829
 Alpha virt. eigenvalues --    0.81956   0.82088   0.82176   0.82517   0.82619
 Alpha virt. eigenvalues --    0.82902   0.83149   0.83324   0.83421   0.83523
 Alpha virt. eigenvalues --    0.83628   0.83750   0.83827   0.83990   0.84051
 Alpha virt. eigenvalues --    0.84209   0.84535   0.84625   0.84742   0.85115
 Alpha virt. eigenvalues --    0.85385   0.85708   0.86418   0.86564   0.86686
 Alpha virt. eigenvalues --    0.86773   0.87216   0.87567   0.87786   0.88111
 Alpha virt. eigenvalues --    0.88121   0.88240   0.88426   0.89238   0.89554
 Alpha virt. eigenvalues --    0.89614   0.89680   0.89815   0.89880   0.90080
 Alpha virt. eigenvalues --    0.90579   0.90940   0.91225   0.91295   0.91384
 Alpha virt. eigenvalues --    0.91859   0.92555   0.92727   0.92901   0.93648
 Alpha virt. eigenvalues --    0.93861   0.94048   0.94368   0.94499   0.95179
 Alpha virt. eigenvalues --    0.95581   0.95692   0.95942   0.96370   0.97047
 Alpha virt. eigenvalues --    0.97165   0.97347   0.97520   0.98141   0.98326
 Alpha virt. eigenvalues --    0.98352   0.98490   0.98575   0.98626   0.98782
 Alpha virt. eigenvalues --    0.98849   0.98905   0.99152   0.99171   0.99227
 Alpha virt. eigenvalues --    0.99450   0.99762   1.00133   1.00221   1.00443
 Alpha virt. eigenvalues --    1.00625   1.00796   1.00980   1.01706   1.02002
 Alpha virt. eigenvalues --    1.02770   1.03293   1.04554   1.05310   1.05491
 Alpha virt. eigenvalues --    1.05603   1.05875   1.06114   1.06186   1.06353
 Alpha virt. eigenvalues --    1.06575   1.06745   1.07141   1.07808   1.08325
 Alpha virt. eigenvalues --    1.09233   1.09828   1.10356   1.10980   1.11091
 Alpha virt. eigenvalues --    1.11535   1.11591   1.11977   1.12154   1.13013
 Alpha virt. eigenvalues --    1.13150   1.13700   1.13942   1.14072   1.14077
 Alpha virt. eigenvalues --    1.14128   1.14253   1.14486   1.14617   1.14994
 Alpha virt. eigenvalues --    1.15137   1.15594   1.15827   1.16048   1.17707
 Alpha virt. eigenvalues --    1.17937   1.18207   1.18403   1.18503   1.18629
 Alpha virt. eigenvalues --    1.18922   1.19195   1.19529   1.19833   1.20177
 Alpha virt. eigenvalues --    1.20196   1.20269   1.20420   1.20902   1.21274
 Alpha virt. eigenvalues --    1.21721   1.22322   1.23521   1.23676   1.23795
 Alpha virt. eigenvalues --    1.24295   1.24786   1.24941   1.25363   1.25473
 Alpha virt. eigenvalues --    1.25807   1.25926   1.26410   1.27196   1.27273
 Alpha virt. eigenvalues --    1.27523   1.27665   1.28315   1.28666   1.29708
 Alpha virt. eigenvalues --    1.30050   1.30094   1.30160   1.31006   1.31061
 Alpha virt. eigenvalues --    1.31393   1.31987   1.32174   1.32296   1.32549
 Alpha virt. eigenvalues --    1.32761   1.33353   1.34096   1.34848   1.35539
 Alpha virt. eigenvalues --    1.36048   1.36067   1.36205   1.36243   1.36408
 Alpha virt. eigenvalues --    1.36421   1.36554   1.36665   1.36707   1.36795
 Alpha virt. eigenvalues --    1.36934   1.37101   1.37374   1.37620   1.37704
 Alpha virt. eigenvalues --    1.37833   1.37997   1.38107   1.38194   1.38446
 Alpha virt. eigenvalues --    1.38764   1.38987   1.39058   1.39403   1.39645
 Alpha virt. eigenvalues --    1.40147   1.40507   1.40742   1.40787   1.40835
 Alpha virt. eigenvalues --    1.40856   1.40989   1.41069   1.41084   1.41168
 Alpha virt. eigenvalues --    1.41292   1.41360   1.41645   1.41990   1.42142
 Alpha virt. eigenvalues --    1.42344   1.42520   1.42739   1.42895   1.43046
 Alpha virt. eigenvalues --    1.43262   1.43538   1.43821   1.44055   1.45113
 Alpha virt. eigenvalues --    1.45344   1.45504   1.45842   1.46146   1.46471
 Alpha virt. eigenvalues --    1.46759   1.46822   1.47403   1.49309   1.51003
 Alpha virt. eigenvalues --    1.51802   1.52947   1.56493   1.58043   1.58141
 Alpha virt. eigenvalues --    1.58304   1.59181   1.59457   1.59699   1.60707
 Alpha virt. eigenvalues --    1.60749   1.60840   1.61548   1.62481   1.63528
 Alpha virt. eigenvalues --    1.64000   1.65739   1.67074   1.68147   1.68390
 Alpha virt. eigenvalues --    1.68953   1.70042   1.70091   1.70934   1.71186
 Alpha virt. eigenvalues --    1.71445   1.71732   1.71936   1.72296   1.72536
 Alpha virt. eigenvalues --    1.72710   1.73298   1.73340   1.73620   1.73681
 Alpha virt. eigenvalues --    1.73948   1.74083   1.74400   1.75197   1.75278
 Alpha virt. eigenvalues --    1.75318   1.75518   1.75555   1.75620   1.75836
 Alpha virt. eigenvalues --    1.75943   1.76193   1.76583   1.76960   1.77191
 Alpha virt. eigenvalues --    1.77530   1.78087   1.78266   1.78523   1.78645
 Alpha virt. eigenvalues --    1.78788   1.78987   1.79219   1.79563   1.79765
 Alpha virt. eigenvalues --    1.80188   1.80656   1.81315   1.81622   1.81638
 Alpha virt. eigenvalues --    1.81861   1.82247   1.82589   1.82664   1.82845
 Alpha virt. eigenvalues --    1.83756   1.83909   1.84032   1.84378   1.85675
 Alpha virt. eigenvalues --    1.86754   1.87078   1.87185   1.87367   1.87469
 Alpha virt. eigenvalues --    1.87601   1.88126   1.88229   1.88403   1.88511
 Alpha virt. eigenvalues --    1.88666   1.88818   1.88870   1.88941   1.89197
 Alpha virt. eigenvalues --    1.89360   1.89431   1.89637   1.90061   1.90338
 Alpha virt. eigenvalues --    1.90408   1.90648   1.90763   1.90892   1.91364
 Alpha virt. eigenvalues --    1.91636   1.91722   1.91861   1.91876   1.91946
 Alpha virt. eigenvalues --    1.92096   1.92468   1.92850   1.93531   1.93833
 Alpha virt. eigenvalues --    1.94223   1.94323   1.94531   1.94872   1.95009
 Alpha virt. eigenvalues --    1.95363   1.95415   1.95673   1.95817   1.96068
 Alpha virt. eigenvalues --    1.96142   1.96251   1.96364   1.96478   1.96777
 Alpha virt. eigenvalues --    1.97614   1.97687   1.97800   1.97973   1.98049
 Alpha virt. eigenvalues --    1.98166   1.98600   1.98761   1.99020   1.99112
 Alpha virt. eigenvalues --    1.99229   1.99454   1.99614   1.99846   2.00028
 Alpha virt. eigenvalues --    2.00693   2.00970   2.01428   2.01564   2.01685
 Alpha virt. eigenvalues --    2.01890   2.02344   2.02527   2.03012   2.03178
 Alpha virt. eigenvalues --    2.03434   2.04605   2.04687   2.04700   2.04833
 Alpha virt. eigenvalues --    2.04880   2.07280   2.07672   2.07693   2.07897
 Alpha virt. eigenvalues --    2.10017   2.10109   2.10480   2.10744   2.11642
 Alpha virt. eigenvalues --    2.11671   2.11866   2.12727   2.13108   2.15157
 Alpha virt. eigenvalues --    2.15882   2.16107   2.16202   2.16250   2.16484
 Alpha virt. eigenvalues --    2.16701   2.16735   2.17338   2.17580   2.17818
 Alpha virt. eigenvalues --    2.18395   2.18556   2.19428   2.19602   2.19891
 Alpha virt. eigenvalues --    2.20008   2.20122   2.20186   2.20264   2.20781
 Alpha virt. eigenvalues --    2.21604   2.21889   2.21931   2.22021   2.22138
 Alpha virt. eigenvalues --    2.22771   2.23035   2.24588   2.24670   2.24848
 Alpha virt. eigenvalues --    2.25477   2.25647   2.25779   2.25923   2.26226
 Alpha virt. eigenvalues --    2.26700   2.27596   2.28129   2.28610   2.28806
 Alpha virt. eigenvalues --    2.29095   2.29751   2.29798   2.30069   2.30655
 Alpha virt. eigenvalues --    2.30715   2.30894   2.30955   2.31297   2.31546
 Alpha virt. eigenvalues --    2.31640   2.31847   2.31995   2.32507   2.32646
 Alpha virt. eigenvalues --    2.33293   2.34172   2.34251   2.34407   2.35014
 Alpha virt. eigenvalues --    2.35057   2.35300   2.36103   2.36582   2.36787
 Alpha virt. eigenvalues --    2.36815   2.36869   2.37033   2.37180   2.37219
 Alpha virt. eigenvalues --    2.37401   2.37913   2.38010   2.38314   2.38524
 Alpha virt. eigenvalues --    2.38777   2.38827   2.38979   2.39234   2.39306
 Alpha virt. eigenvalues --    2.39513   2.39590   2.39700   2.39916   2.40195
 Alpha virt. eigenvalues --    2.40334   2.41089   2.41339   2.41554   2.41942
 Alpha virt. eigenvalues --    2.42603   2.42777   2.42876   2.43176   2.43728
 Alpha virt. eigenvalues --    2.43865   2.43976   2.44048   2.44104   2.44163
 Alpha virt. eigenvalues --    2.44299   2.44395   2.44704   2.45062   2.45386
 Alpha virt. eigenvalues --    2.45940   2.46409   2.46776   2.46878   2.47125
 Alpha virt. eigenvalues --    2.47213   2.47295   2.47527   2.47789   2.48394
 Alpha virt. eigenvalues --    2.48608   2.48829   2.48951   2.49032   2.49402
 Alpha virt. eigenvalues --    2.49880   2.50144   2.50163   2.50877   2.50975
 Alpha virt. eigenvalues --    2.51198   2.51348   2.51629   2.52079   2.52265
 Alpha virt. eigenvalues --    2.52294   2.52356   2.52434   2.52451   2.52597
 Alpha virt. eigenvalues --    2.52712   2.52961   2.53071   2.53466   2.54305
 Alpha virt. eigenvalues --    2.54754   2.55020   2.55447   2.55627   2.55894
 Alpha virt. eigenvalues --    2.56236   2.56699   2.56843   2.56993   2.57175
 Alpha virt. eigenvalues --    2.57435   2.57542   2.57678   2.57849   2.58030
 Alpha virt. eigenvalues --    2.58200   2.58442   2.59020   2.59315   2.59497
 Alpha virt. eigenvalues --    2.59614   2.59836   2.59987   2.60573   2.60906
 Alpha virt. eigenvalues --    2.61545   2.62032   2.62190   2.62317   2.62606
 Alpha virt. eigenvalues --    2.62733   2.62887   2.63087   2.63391   2.64131
 Alpha virt. eigenvalues --    2.64691   2.64962   2.65046   2.65335   2.65625
 Alpha virt. eigenvalues --    2.65684   2.65823   2.66385   2.66854   2.68204
 Alpha virt. eigenvalues --    2.68990   2.69053   2.69208   2.69321   2.69735
 Alpha virt. eigenvalues --    2.70526   2.70913   2.71091   2.71469   2.71607
 Alpha virt. eigenvalues --    2.72055   2.72835   2.73435   2.73548   2.73589
 Alpha virt. eigenvalues --    2.74158   2.74369   2.74453   2.75225   2.75555
 Alpha virt. eigenvalues --    2.75966   2.76249   2.76889   2.76955   2.77112
 Alpha virt. eigenvalues --    2.77210   2.77825   2.78572   2.78938   2.79663
 Alpha virt. eigenvalues --    2.80177   2.80952   2.81467   2.81598   2.82902
 Alpha virt. eigenvalues --    2.83017   2.83113   2.83305   2.83412   2.83569
 Alpha virt. eigenvalues --    2.84190   2.84677   2.84826   2.86159   2.88157
 Alpha virt. eigenvalues --    2.88641   2.89549   2.90019   2.90125   2.90244
 Alpha virt. eigenvalues --    2.90633   2.91363   2.91490   2.91595   2.91702
 Alpha virt. eigenvalues --    2.92016   2.93581   2.94512   2.95545   2.95884
 Alpha virt. eigenvalues --    2.95990   2.96059   2.97167   2.98216   3.00696
 Alpha virt. eigenvalues --    3.02922   3.04427   3.04664   3.04912   3.06363
 Alpha virt. eigenvalues --    3.07972   3.09873   3.10394   3.11447   3.12649
 Alpha virt. eigenvalues --    3.12899   3.12970   3.13282   3.14187   3.16196
 Alpha virt. eigenvalues --    3.16899   3.17880   3.18447   3.18694   3.18897
 Alpha virt. eigenvalues --    3.19118   3.19417   3.20404   3.21768   3.21844
 Alpha virt. eigenvalues --    3.22016   3.22911   3.23549   3.23609   3.23891
 Alpha virt. eigenvalues --    3.24035   3.24109   3.24260   3.24524   3.24573
 Alpha virt. eigenvalues --    3.24655   3.24837   3.25516   3.25781   3.26446
 Alpha virt. eigenvalues --    3.28311   3.29336   3.30179   3.30617   3.30699
 Alpha virt. eigenvalues --    3.30866   3.32220   3.32250   3.32406   3.33303
 Alpha virt. eigenvalues --    3.34079   3.35369   3.36618   3.36965   3.37341
 Alpha virt. eigenvalues --    3.37388   3.37391   3.37659   3.38265   3.44052
 Alpha virt. eigenvalues --    3.44207   3.44323   3.44651   3.44989   3.46333
 Alpha virt. eigenvalues --    3.46417   3.46575   3.47670   3.48940   3.49127
 Alpha virt. eigenvalues --    3.49240   3.49607   3.51136   3.51157   3.51490
 Alpha virt. eigenvalues --    3.57591   3.70183   3.73450   3.76778   3.80792
 Alpha virt. eigenvalues --    3.81098   3.81457   3.82192   3.82633   3.84520
 Alpha virt. eigenvalues --    3.89409   3.89487   3.89653   4.03933   4.07851
 Alpha virt. eigenvalues --    4.08879   4.09845   4.10004   4.10573   4.10659
 Alpha virt. eigenvalues --    4.10881   4.11386   4.11691   4.13321   4.13387
 Alpha virt. eigenvalues --    4.13557   4.13716   4.13782   4.13878   4.13970
 Alpha virt. eigenvalues --    4.14043   4.15017   4.15193   4.15359   4.15557
 Alpha virt. eigenvalues --    4.16028   4.16450   4.17235   4.17894   4.17950
 Alpha virt. eigenvalues --    4.18140   4.18212   4.18474   4.18557   4.20410
 Alpha virt. eigenvalues --    4.20460   4.20640   4.21833   4.22539   4.22746
 Alpha virt. eigenvalues --    4.26916   4.32997   4.34096   4.36526   4.36684
 Alpha virt. eigenvalues --    4.36860   4.37102   4.37873   4.38717   4.41009
 Alpha virt. eigenvalues --    4.42032   4.42974   4.43163   4.43283   4.43529
 Alpha virt. eigenvalues --    4.44265   4.44748   4.44857   4.45111   4.45584
 Alpha virt. eigenvalues --    4.49630   4.50849   4.52223   4.52283   4.52461
 Alpha virt. eigenvalues --    4.53024   4.53044   4.53242   4.53281   4.60049
 Alpha virt. eigenvalues --    4.71363   4.77117   4.79828   4.81694   4.82326
 Alpha virt. eigenvalues --    4.84060   4.87195   4.87949   4.89830   4.92644
 Alpha virt. eigenvalues --    4.92707   4.92881   4.98868
          Condensed to atoms (all electrons):
 Mulliken charges:
               1
     1  C    0.078176
     2  C   -0.185411
     3  C    0.071565
     4  C    0.041266
     5  C   -0.111969
     6  C   -0.121437
     7  C    0.057036
     8  C    0.080190
     9  C    0.319422
    10  C    0.251619
    11  C   -0.190991
    12  C    0.085053
    13  C   -0.140715
    14  C   -0.085862
    15  N   -0.665118
    16  C    0.323445
    17  C    0.281506
    18  N   -0.589139
    19  C   -0.096302
    20  C   -0.120239
    21  C    0.072190
    22  C   -0.147439
    23  C    0.066915
    24  C    0.067333
    25  C    0.071268
    26  C   -0.128350
    27  C   -0.101731
    28  C    0.255277
    29  C   -0.102199
    30  C   -0.127926
    31  C   -0.129721
    32  C   -0.100197
    33  C    0.252232
    34  C   -0.101033
    35  C   -0.128932
    36  C   -0.130810
    37  C   -0.101409
    38  C    0.256656
    39  C   -0.101814
    40  C   -0.125416
    41  N   -0.735069
    42  N   -0.735666
    43  N   -0.736335
    44  C    0.292760
    45  C    0.041324
    46  C    0.041111
    47  C    0.293384
    48  C    0.293150
    49  C    0.041224
    50  C    0.041172
    51  C    0.293083
    52  C    0.293108
    53  C    0.041246
    54  C    0.041356
    55  C    0.292884
    56  C   -0.132841
    57  C   -0.099888
    58  C   -0.098659
    59  C   -0.109775
    60  C   -0.110436
    61  C   -0.098452
    62  C   -0.099603
    63  C   -0.132794
    64  C   -0.132761
    65  C   -0.099845
    66  C   -0.098364
    67  C   -0.110348
    68  C   -0.110036
    69  C   -0.098498
    70  C   -0.099889
    71  C   -0.132740
    72  C   -0.132691
    73  C   -0.099546
    74  C   -0.098358
    75  C   -0.110225
    76  C   -0.110171
    77  C   -0.098432
    78  C   -0.099669
    79  C   -0.132722
    80  H    0.252722
    81  H    0.095658
    82  H    0.120824
    83  H    0.097272
    84  H    0.093475
    85  H    0.112979
    86  H    0.132653
    87  H    0.173543
    88  H    0.114515
    89  H    0.110500
    90  H    0.107184
    91  H    0.115559
    92  H    0.112373
    93  H    0.095814
    94  H    0.098371
    95  H    0.113277
    96  H    0.113136
    97  H    0.097220
    98  H    0.103504
    99  H    0.115765
   100  H    0.114225
   101  H    0.099238
   102  H    0.087131
   103  H    0.081983
   104  H    0.083044
   105  H    0.089592
   106  H    0.095211
   107  H    0.086606
   108  H    0.082698
   109  H    0.086642
   110  H    0.087225
   111  H    0.082508
   112  H    0.084278
   113  H    0.091614
   114  H    0.090091
   115  H    0.084292
   116  H    0.082753
   117  H    0.087305
   118  H    0.087248
   119  H    0.083149
   120  H    0.086165
   121  H    0.093365
   122  H    0.091554
   123  H    0.084123
   124  H    0.082545
   125  H    0.087463
   126  Cl  -0.617371
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.078176
     2  C   -0.089754
     3  C    0.071565
     4  C    0.041266
     5  C    0.008856
     6  C   -0.024165
     7  C    0.057036
     8  C    0.080190
     9  C    0.319422
    10  C    0.251619
    11  C   -0.097515
    12  C    0.085053
    13  C   -0.027736
    14  C    0.046792
    15  N   -0.412396
    16  C    0.323445
    17  C    0.281506
    18  N   -0.589139
    19  C    0.077241
    20  C   -0.005724
    21  C    0.072190
    22  C   -0.036939
    23  C    0.066915
    24  C    0.067333
    25  C    0.071268
    26  C   -0.021165
    27  C    0.013828
    28  C    0.255277
    29  C    0.010175
    30  C   -0.032112
    31  C   -0.031350
    32  C    0.013080
    33  C    0.252232
    34  C    0.012103
    35  C   -0.031713
    36  C   -0.027306
    37  C    0.014356
    38  C    0.256656
    39  C    0.012410
    40  C   -0.026178
    41  N   -0.735069
    42  N   -0.735666
    43  N   -0.736335
    44  C    0.292760
    45  C    0.041324
    46  C    0.041111
    47  C    0.293384
    48  C    0.293150
    49  C    0.041224
    50  C    0.041172
    51  C    0.293083
    52  C    0.293108
    53  C    0.041246
    54  C    0.041356
    55  C    0.292884
    56  C   -0.045710
    57  C   -0.017905
    58  C   -0.015615
    59  C   -0.020184
    60  C   -0.015225
    61  C   -0.011847
    62  C   -0.016906
    63  C   -0.046153
    64  C   -0.045536
    65  C   -0.017337
    66  C   -0.014086
    67  C   -0.018734
    68  C   -0.019945
    69  C   -0.014206
    70  C   -0.017136
    71  C   -0.045435
    72  C   -0.045444
    73  C   -0.016397
    74  C   -0.012193
    75  C   -0.016860
    76  C   -0.018617
    77  C   -0.014309
    78  C   -0.017123
    79  C   -0.045259
   126  Cl  -0.617371
 Electronic spatial extent (au):  <R**2>=         168589.5565
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              0.2415    Y=              7.7580    Z=             -0.3390  Tot=              7.7691
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=           -418.7719   YY=           -490.5007   ZZ=           -472.5734
   XY=            -19.2701   XZ=              0.8749   YZ=              1.4438
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             41.8434   YY=            -29.8853   ZZ=            -11.9581
   XY=            -19.2701   XZ=              0.8749   YZ=              1.4438
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=           -166.3957  YYY=            413.8053  ZZZ=              0.8316  XYY=            122.1115
  XXY=            -51.7619  XXZ=            -17.0532  XZZ=            -11.2976  YZZ=            -10.9744
  YYZ=             -2.6587  XYZ=             -3.2372
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=        -166613.1333 YYYY=         -56807.4275 ZZZZ=          -1368.6526 XXXY=            730.5863
 XXXZ=            253.7527 YYYX=          -1371.0761 YYYZ=            542.2156 ZZZX=              0.0852
 ZZZY=            -36.9330 XXYY=         -36872.0818 XXZZ=         -31487.7650 YYZZ=         -10321.4360
 XXYZ=            338.5324 YYXZ=           -163.0804 ZZXY=             33.2366
 N-N= 1.054969797741D+04 E-N=-2.942008276252D+04  KE= 3.550321267138D+03
 1\1\GINC-W1503\FOpt\RB3LYP\6-31G(d,p)\C74H46Cl1N5\SC70848\21-Jun-2022\
 0\\# opt freq b3lyp/6-31g(d,p) geom=connectivity\\Title Card Required\
 \0,1\C,-4.0101232221,2.9573863786,-0.3169162535\C,-3.9664310271,1.5720
 648537,-0.1486683134\C,-2.759311403,0.8685080405,0.0171894247\C,-1.554
 8643168,1.609521017,0.0191438601\C,-1.5925116825,3.0066813268,-0.14646
 79802\C,-2.7921587414,3.6699540979,-0.3127467667\C,-2.7174447226,-0.59
 24866425,0.1985123678\C,-1.4735334131,-1.2699189753,0.3676617747\C,-0.
 2415255175,-0.5016624136,0.3603500149\C,-0.2733375064,0.9324736066,0.1
 919707307\C,-3.8925376227,-1.3595652044,0.2001409365\C,-3.8906409806,-
 2.7469989205,0.3683877496\C,-2.6494109701,-3.390910404,0.5389187007\C,
 -1.4702412471,-2.67226879,0.537562516\N,0.9660873248,-1.0756180354,0.5
 0554141\C,2.1222875489,-0.3507073037,0.5041143875\C,2.0291975078,1.063
 9007811,0.3456699009\N,0.8302072491,1.6664436193,0.1888017974\C,3.3872
 036171,-0.9671986246,0.6570137651\C,4.5112605837,-0.176531087,0.649559
 774\C,4.4537573991,1.2445679865,0.4913551401\C,3.213286469,1.840107357
 3,0.3402489031\C,-5.3031757174,3.6610643888,-0.4926746834\C,-5.1564944
 942,-3.5155363861,0.3635963574\C,5.6984264375,2.0477655354,0.493570129
 3\C,-5.2157085886,-4.8047034112,-0.193854656\C,-6.4033684984,-5.527844
 9968,-0.2144503278\C,-7.5687468921,-4.9881028186,0.3466850945\C,-7.521
 8390613,-3.7092499856,0.9183820569\C,-6.3351075407,-2.9842791607,0.915
 5358813\C,-5.5190260962,4.9295210317,0.0725251276\C,-6.7340851671,5.58
 99237428,-0.077489305\C,-7.7680683004,5.0052395919,-0.8207984511\C,-7.
 5634315224,3.7461822495,-1.4009271505\C,-6.3520188201,3.0844103882,-1.
 2292488104\C,6.8858348054,1.5489060768,-0.0691311175\C,8.050887287,2.3
 084367687,-0.0853952441\C,8.0678229191,3.5881063284,0.485618104\C,6.89
 40527609,4.0933320562,1.0621850339\C,5.7283787456,3.3356896324,1.05578
 06286\N,-9.0033038248,5.6785307131,-0.9849759981\N,-8.7772544549,-5.72
 56180315,0.3388041849\N,9.2544958683,4.3593098595,0.4831600462\C,-8.94
 03795795,-7.0403016928,0.8001265685\C,-10.2935425431,-7.4240710606,0.6
 24320136\C,-10.9781035178,-6.2954708878,0.0285140492\C,-10.0158500316,
 -5.2667558635,-0.1317894365\C,-10.2706991637,5.1479202304,-0.705471615
 1\C,-11.253379878,6.1273655267,-0.9966689865\C,-10.5509694264,7.299751
 5421,-1.4756921424\C,-9.1678059088,6.9897124446,-1.4538994334\C,9.3736
 996719,5.6809225356,0.0286017012\C,10.7172267632,6.1028619703,0.190785
 6552\C,11.4415916401,4.9910601759,0.7710328935\C,10.512247551,3.933644
 3259,0.9361828335\C,-12.2964304836,-6.0787775925,-0.3878569761\C,-12.6
 348379357,-4.8560336994,-0.9597763506\C,-11.6652213303,-3.8533394015,-
 1.1268114735\C,-10.3460223874,-4.0430028168,-0.720411965\C,-8.00855478
 57,-7.8969756419,1.3923770746\C,-8.4475055709,-9.1591705349,1.78647726
 26\C,-9.7811498876,-9.5615888481,1.6042116268\C,-10.708250591,-8.69803
 94074,1.0288514881\C,-10.9696451745,8.5570782153,-1.9256078364\C,-10.0
 160838548,9.4771534745,-2.3506373369\C,-8.6503928183,9.1477866938,-2.3
 377680721\C,-8.2067590806,7.9037042425,-1.8942888461\C,-10.6162671632,
 3.8985015989,-0.1834891403\C,-11.9684455,3.6332567898,0.0227177471\C,-
 12.9561906763,4.5866638604,-0.2757880888\C,-12.6048212488,5.834886477,
 -0.7807543864\C,12.7708081039,4.8109884108,1.1700549136\C,13.151699213
 7,3.5952565011,1.7298006393\C,12.2139915835,2.5635077657,1.9021139993\
 C,10.8848853519,2.7166067852,1.5130877229\C,8.4108387556,6.5137321777,
 -0.5478049552\C,8.8082108108,7.7905178057,-0.9394192389\C,10.131530238
 ,8.2304113913,-0.7700546135\C,11.0898962606,7.3905696919,-0.2107577705
 \H,1.1281594604,-2.176242568,0.6258607196\H,-4.9080070668,1.0393435436
 ,-0.1180203664\H,-0.6538965175,3.5474409724,-0.1506489786\H,-2.7962895
 009,4.7438804647,-0.4681049347\H,-4.8453458935,-0.8741331294,0.0348510
 878\H,-2.6097745143,-4.4627160859,0.7010019489\H,-0.5370991398,-3.2123
 530787,0.6778672631\H,3.4322254723,-2.0446192796,0.7856174031\H,5.4784
 117856,-0.6461141551,0.7953857225\H,3.1069238713,2.9078606322,0.185833
 7715\H,-4.3307298394,-5.23098382,-0.6554194257\H,-6.4395375867,-6.5050
 253262,-0.6835685023\H,-8.4114938075,-3.3004847685,1.3850779312\H,-6.3
 123357949,-2.0092546936,1.3923829858\H,-4.7404950231,5.3879012753,0.67
 43728479\H,-6.8964282813,6.5511716093,0.3980365046\H,-8.3480746954,3.3
 03112552,-2.0046921048\H,-6.2023505736,2.1240276756,-1.7128718376\H,6.
 8900072526,0.571368889,-0.5409746734\H,8.9470694949,1.9230705445,-0.55
 9214271\H,6.9091147867,5.0689864559,1.5355921615\H,4.8382010479,3.7323
 597811,1.5338642158\H,-13.0437769041,-6.8581944209,-0.2704434419\H,-13
 .6544730015,-4.6755127359,-1.2856047523\H,-11.9456825841,-2.909903248,
 -1.5858310899\H,-9.6021828269,-3.2676976434,-0.8654523758\H,-6.9800273
 414,-7.5922137922,1.549075919\H,-7.7409467893,-9.8430391677,2.24722504
 37\H,-10.0898191496,-10.5530402477,1.9206186717\H,-11.7419816817,-9.00
 5369959,0.8993371174\H,-12.0261824817,8.8082189483,-1.9470129604\H,-10
 .3281019552,10.4562279944,-2.7005343392\H,-7.9219660884,9.8752582578,-
 2.6834813408\H,-7.1515410516,7.6547854177,-1.8996415221\H,-9.860577764
 ,3.1606102073,0.0613467289\H,-12.2615756586,2.6686573971,0.4264341353\
 H,-14.0011597851,4.347342147,-0.1051461575\H,-13.3682637706,6.57572631
 56,-1.0000901492\H,13.4934715517,5.6127152883,1.0485301652\H,14.180119
 7013,3.4424973785,2.0418121226\H,12.5274277941,1.6257334841,2.35105297
 96\H,10.1667134076,1.918350369,1.6624982815\H,7.3900691643,6.179527963
 5,-0.6951267438\H,8.0769810697,8.4561627495,-1.3883571816\H,10.4079007
 771,9.2320769451,-1.0841538998\H,12.1158163741,7.7268597798,-0.0917168
 995\Cl,1.703801479,-3.8883363423,0.8229838321\\Version=ES64L-G16RevA.0
 3\State=1-A\HF=-3581.781423\RMSD=3.625e-09\RMSF=1.877e-06\Dipole=-0.93
 11907,2.8916416,-0.3378056\Quadrupole=19.3139803,-10.3769158,-8.937064
 5,26.3537265,-0.4972666,1.4293494\PG=C01 [X(C74H46Cl1N5)]\\@


 THE VALUE OF PHILOSOPHY IS, IN FACT, TO BE SOUGHT LARGELY IN ITS
 VERY UNCERTAINTY.  THE MAN WHO HAS NO TINCTURE OF PHILOSOPHY GOES
 THROUGH LIFE IMPRISONED IN THE PREJUDICES DERIVED FROM COMMON SENSE,
 FROM THE HABITUAL BELIEFS OF HIS AGE OR HIS NATION, AND FROM
 CONVICTIONS WHICH HAVE GROWN UP IN HIS MIND WITHOUT THE CO-OPERATION
 OR CONSENT OF HIS DELIBERATE REASON.  TO SUCH A MAN THE WORLD TENDS
 TO BE DEFINITE, FINITE, OBVIOUS; COMMON OBJECTS ROUSE NO QUESTIONS,
 AND UNFAMILIAR POSSIBILITIES ARE CONTEMPTUOUSLY REJECTED.

                             -- BERTRAND RUSSELL
 Job cpu time:       1 days 12 hours 44 minutes 35.9 seconds.
 Elapsed time:       0 days  0 hours 35 minutes 28.6 seconds.
 File lengths (MBytes):  RWF=   1261 Int=      0 D2E=      0 Chk=    155 Scr=      1
 Normal termination of Gaussian 16 at Tue Jun 21 10:32:53 2022.
 Link1:  Proceeding to internal job step number  2.
 ----------------------------------------------------------------------
 #N Geom=AllCheck Guess=TCheck SCRF=Check GenChk RB3LYP/6-31G(d,p) Freq
 ----------------------------------------------------------------------
 1/10=4,29=7,30=1,38=1,40=1/1,3;
 2/12=2,40=1/2;
 3/5=1,6=6,7=101,11=2,14=-4,25=1,30=1,70=2,71=2,74=-5,116=1,140=1/1,2,3;
 4/5=101/1;
 5/5=2,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 11/6=1,8=1,9=11,15=111,16=1/1,2,10;
 10/6=1/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,10=1,25=1/1,2,3,16;
 1/10=4,30=1/3;
 99//99;
 Structure from the checkpoint file:  "ph.chk"
 -------------------
 Title Card Required
 -------------------
 Charge =  0 Multiplicity = 1
 Redundant internal coordinates found in file.  (old form).
 C,0,-4.0101232221,2.9573863786,-0.3169162535
 C,0,-3.9664310271,1.5720648537,-0.1486683134
 C,0,-2.759311403,0.8685080405,0.0171894247
 C,0,-1.5548643168,1.609521017,0.0191438601
 C,0,-1.5925116825,3.0066813268,-0.1464679802
 C,0,-2.7921587414,3.6699540979,-0.3127467667
 C,0,-2.7174447226,-0.5924866425,0.1985123678
 C,0,-1.4735334131,-1.2699189753,0.3676617747
 C,0,-0.2415255175,-0.5016624136,0.3603500149
 C,0,-0.2733375064,0.9324736066,0.1919707307
 C,0,-3.8925376227,-1.3595652044,0.2001409365
 C,0,-3.8906409806,-2.7469989205,0.3683877496
 C,0,-2.6494109701,-3.390910404,0.5389187007
 C,0,-1.4702412471,-2.67226879,0.537562516
 N,0,0.9660873248,-1.0756180354,0.50554141
 C,0,2.1222875489,-0.3507073037,0.5041143875
 C,0,2.0291975078,1.0639007811,0.3456699009
 N,0,0.8302072491,1.6664436193,0.1888017974
 C,0,3.3872036171,-0.9671986246,0.6570137651
 C,0,4.5112605837,-0.176531087,0.649559774
 C,0,4.4537573991,1.2445679865,0.4913551401
 C,0,3.213286469,1.8401073573,0.3402489031
 C,0,-5.3031757174,3.6610643888,-0.4926746834
 C,0,-5.1564944942,-3.5155363861,0.3635963574
 C,0,5.6984264375,2.0477655354,0.4935701293
 C,0,-5.2157085886,-4.8047034112,-0.193854656
 C,0,-6.4033684984,-5.5278449968,-0.2144503278
 C,0,-7.5687468921,-4.9881028186,0.3466850945
 C,0,-7.5218390613,-3.7092499856,0.9183820569
 C,0,-6.3351075407,-2.9842791607,0.9155358813
 C,0,-5.5190260962,4.9295210317,0.0725251276
 C,0,-6.7340851671,5.5899237428,-0.077489305
 C,0,-7.7680683004,5.0052395919,-0.8207984511
 C,0,-7.5634315224,3.7461822495,-1.4009271505
 C,0,-6.3520188201,3.0844103882,-1.2292488104
 C,0,6.8858348054,1.5489060768,-0.0691311175
 C,0,8.050887287,2.3084367687,-0.0853952441
 C,0,8.0678229191,3.5881063284,0.485618104
 C,0,6.8940527609,4.0933320562,1.0621850339
 C,0,5.7283787456,3.3356896324,1.0557806286
 N,0,-9.0033038248,5.6785307131,-0.9849759981
 N,0,-8.7772544549,-5.7256180315,0.3388041849
 N,0,9.2544958683,4.3593098595,0.4831600462
 C,0,-8.9403795795,-7.0403016928,0.8001265685
 C,0,-10.2935425431,-7.4240710606,0.624320136
 C,0,-10.9781035178,-6.2954708878,0.0285140492
 C,0,-10.0158500316,-5.2667558635,-0.1317894365
 C,0,-10.2706991637,5.1479202304,-0.7054716151
 C,0,-11.253379878,6.1273655267,-0.9966689865
 C,0,-10.5509694264,7.2997515421,-1.4756921424
 C,0,-9.1678059088,6.9897124446,-1.4538994334
 C,0,9.3736996719,5.6809225356,0.0286017012
 C,0,10.7172267632,6.1028619703,0.1907856552
 C,0,11.4415916401,4.9910601759,0.7710328935
 C,0,10.512247551,3.9336443259,0.9361828335
 C,0,-12.2964304836,-6.0787775925,-0.3878569761
 C,0,-12.6348379357,-4.8560336994,-0.9597763506
 C,0,-11.6652213303,-3.8533394015,-1.1268114735
 C,0,-10.3460223874,-4.0430028168,-0.720411965
 C,0,-8.0085547857,-7.8969756419,1.3923770746
 C,0,-8.4475055709,-9.1591705349,1.7864772626
 C,0,-9.7811498876,-9.5615888481,1.6042116268
 C,0,-10.708250591,-8.6980394074,1.0288514881
 C,0,-10.9696451745,8.5570782153,-1.9256078364
 C,0,-10.0160838548,9.4771534745,-2.3506373369
 C,0,-8.6503928183,9.1477866938,-2.3377680721
 C,0,-8.2067590806,7.9037042425,-1.8942888461
 C,0,-10.6162671632,3.8985015989,-0.1834891403
 C,0,-11.9684455,3.6332567898,0.0227177471
 C,0,-12.9561906763,4.5866638604,-0.2757880888
 C,0,-12.6048212488,5.834886477,-0.7807543864
 C,0,12.7708081039,4.8109884108,1.1700549136
 C,0,13.1516992137,3.5952565011,1.7298006393
 C,0,12.2139915835,2.5635077657,1.9021139993
 C,0,10.8848853519,2.7166067852,1.5130877229
 C,0,8.4108387556,6.5137321777,-0.5478049552
 C,0,8.8082108108,7.7905178057,-0.9394192389
 C,0,10.131530238,8.2304113913,-0.7700546135
 C,0,11.0898962606,7.3905696919,-0.2107577705
 H,0,1.1281594604,-2.176242568,0.6258607196
 H,0,-4.9080070668,1.0393435436,-0.1180203664
 H,0,-0.6538965175,3.5474409724,-0.1506489786
 H,0,-2.7962895009,4.7438804647,-0.4681049347
 H,0,-4.8453458935,-0.8741331294,0.0348510878
 H,0,-2.6097745143,-4.4627160859,0.7010019489
 H,0,-0.5370991398,-3.2123530787,0.6778672631
 H,0,3.4322254723,-2.0446192796,0.7856174031
 H,0,5.4784117856,-0.6461141551,0.7953857225
 H,0,3.1069238713,2.9078606322,0.1858337715
 H,0,-4.3307298394,-5.23098382,-0.6554194257
 H,0,-6.4395375867,-6.5050253262,-0.6835685023
 H,0,-8.4114938075,-3.3004847685,1.3850779312
 H,0,-6.3123357949,-2.0092546936,1.3923829858
 H,0,-4.7404950231,5.3879012753,0.6743728479
 H,0,-6.8964282813,6.5511716093,0.3980365046
 H,0,-8.3480746954,3.303112552,-2.0046921048
 H,0,-6.2023505736,2.1240276756,-1.7128718376
 H,0,6.8900072526,0.571368889,-0.5409746734
 H,0,8.9470694949,1.9230705445,-0.559214271
 H,0,6.9091147867,5.0689864559,1.5355921615
 H,0,4.8382010479,3.7323597811,1.5338642158
 H,0,-13.0437769041,-6.8581944209,-0.2704434419
 H,0,-13.6544730015,-4.6755127359,-1.2856047523
 H,0,-11.9456825841,-2.909903248,-1.5858310899
 H,0,-9.6021828269,-3.2676976434,-0.8654523758
 H,0,-6.9800273414,-7.5922137922,1.549075919
 H,0,-7.7409467893,-9.8430391677,2.2472250437
 H,0,-10.0898191496,-10.5530402477,1.9206186717
 H,0,-11.7419816817,-9.005369959,0.8993371174
 H,0,-12.0261824817,8.8082189483,-1.9470129604
 H,0,-10.3281019552,10.4562279944,-2.7005343392
 H,0,-7.9219660884,9.8752582578,-2.6834813408
 H,0,-7.1515410516,7.6547854177,-1.8996415221
 H,0,-9.860577764,3.1606102073,0.0613467289
 H,0,-12.2615756586,2.6686573971,0.4264341353
 H,0,-14.0011597851,4.347342147,-0.1051461575
 H,0,-13.3682637706,6.5757263156,-1.0000901492
 H,0,13.4934715517,5.6127152883,1.0485301652
 H,0,14.1801197013,3.4424973785,2.0418121226
 H,0,12.5274277941,1.6257334841,2.3510529796
 H,0,10.1667134076,1.918350369,1.6624982815
 H,0,7.3900691643,6.1795279635,-0.6951267438
 H,0,8.0769810697,8.4561627495,-1.3883571816
 H,0,10.4079007771,9.2320769451,-1.0841538998
 H,0,12.1158163741,7.7268597798,-0.0917168995
 Cl,0,1.703801479,-3.8883363423,0.8229838321
 Recover connectivity data from disk.

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Initialization pass.
                           ----------------------------
                           !    Initial Parameters    !
                           ! (Angstroms and Degrees)  !
 --------------------------                            --------------------------
 ! Name  Definition              Value          Derivative Info.                !
 --------------------------------------------------------------------------------
 ! R1    R(1,2)                  1.3962         calculate D2E/DX2 analytically  !
 ! R2    R(1,6)                  1.4111         calculate D2E/DX2 analytically  !
 ! R3    R(1,23)                 1.4826         calculate D2E/DX2 analytically  !
 ! R4    R(2,3)                  1.407          calculate D2E/DX2 analytically  !
 ! R5    R(2,81)                 1.0823         calculate D2E/DX2 analytically  !
 ! R6    R(3,4)                  1.4141         calculate D2E/DX2 analytically  !
 ! R7    R(3,7)                  1.4728         calculate D2E/DX2 analytically  !
 ! R8    R(4,5)                  1.4074         calculate D2E/DX2 analytically  !
 ! R9    R(4,10)                 1.4596         calculate D2E/DX2 analytically  !
 ! R10   R(5,6)                  1.3808         calculate D2E/DX2 analytically  !
 ! R11   R(5,82)                 1.0833         calculate D2E/DX2 analytically  !
 ! R12   R(6,83)                 1.0851         calculate D2E/DX2 analytically  !
 ! R13   R(7,8)                  1.4265         calculate D2E/DX2 analytically  !
 ! R14   R(7,11)                 1.4033         calculate D2E/DX2 analytically  !
 ! R15   R(8,9)                  1.4519         calculate D2E/DX2 analytically  !
 ! R16   R(8,14)                 1.4126         calculate D2E/DX2 analytically  !
 ! R17   R(9,10)                 1.4443         calculate D2E/DX2 analytically  !
 ! R18   R(9,15)                 1.3449         calculate D2E/DX2 analytically  !
 ! R19   R(10,18)                1.3253         calculate D2E/DX2 analytically  !
 ! R20   R(11,12)                1.3976         calculate D2E/DX2 analytically  !
 ! R21   R(11,84)                1.082          calculate D2E/DX2 analytically  !
 ! R22   R(12,13)                1.4087         calculate D2E/DX2 analytically  !
 ! R23   R(12,24)                1.4809         calculate D2E/DX2 analytically  !
 ! R24   R(13,14)                1.3809         calculate D2E/DX2 analytically  !
 ! R25   R(13,85)                1.0847         calculate D2E/DX2 analytically  !
 ! R26   R(14,86)                1.0873         calculate D2E/DX2 analytically  !
 ! R27   R(15,16)                1.3647         calculate D2E/DX2 analytically  !
 ! R28   R(15,80)                1.119          calculate D2E/DX2 analytically  !
 ! R29   R(15,126)               2.9251         calculate D2E/DX2 analytically  !
 ! R30   R(16,17)                1.4265         calculate D2E/DX2 analytically  !
 ! R31   R(16,19)                1.4154         calculate D2E/DX2 analytically  !
 ! R32   R(17,18)                1.351          calculate D2E/DX2 analytically  !
 ! R33   R(17,22)                1.4158         calculate D2E/DX2 analytically  !
 ! R34   R(19,20)                1.3743         calculate D2E/DX2 analytically  !
 ! R35   R(19,87)                1.086          calculate D2E/DX2 analytically  !
 ! R36   R(20,21)                1.431          calculate D2E/DX2 analytically  !
 ! R37   R(20,88)                1.085          calculate D2E/DX2 analytically  !
 ! R38   R(21,22)                1.3843         calculate D2E/DX2 analytically  !
 ! R39   R(21,25)                1.4813         calculate D2E/DX2 analytically  !
 ! R40   R(22,89)                1.0841         calculate D2E/DX2 analytically  !
 ! R41   R(23,31)                1.4054         calculate D2E/DX2 analytically  !
 ! R42   R(23,35)                1.4054         calculate D2E/DX2 analytically  !
 ! R43   R(24,26)                1.4058         calculate D2E/DX2 analytically  !
 ! R44   R(24,30)                1.4057         calculate D2E/DX2 analytically  !
 ! R45   R(25,36)                1.4055         calculate D2E/DX2 analytically  !
 ! R46   R(25,40)                1.4056         calculate D2E/DX2 analytically  !
 ! R47   R(26,27)                1.3906         calculate D2E/DX2 analytically  !
 ! R48   R(26,90)                1.0853         calculate D2E/DX2 analytically  !
 ! R49   R(27,28)                1.4015         calculate D2E/DX2 analytically  !
 ! R50   R(27,91)                1.0846         calculate D2E/DX2 analytically  !
 ! R51   R(28,29)                1.4016         calculate D2E/DX2 analytically  !
 ! R52   R(28,42)                1.4158         calculate D2E/DX2 analytically  !
 ! R53   R(29,30)                1.3907         calculate D2E/DX2 analytically  !
 ! R54   R(29,92)                1.0846         calculate D2E/DX2 analytically  !
 ! R55   R(30,93)                1.0856         calculate D2E/DX2 analytically  !
 ! R56   R(31,32)                1.391          calculate D2E/DX2 analytically  !
 ! R57   R(31,94)                1.0856         calculate D2E/DX2 analytically  !
 ! R58   R(32,33)                1.4012         calculate D2E/DX2 analytically  !
 ! R59   R(32,95)                1.0847         calculate D2E/DX2 analytically  !
 ! R60   R(33,34)                1.4013         calculate D2E/DX2 analytically  !
 ! R61   R(33,41)                1.4164         calculate D2E/DX2 analytically  !
 ! R62   R(34,35)                1.391          calculate D2E/DX2 analytically  !
 ! R63   R(34,96)                1.0847         calculate D2E/DX2 analytically  !
 ! R64   R(35,97)                1.0856         calculate D2E/DX2 analytically  !
 ! R65   R(36,37)                1.3909         calculate D2E/DX2 analytically  !
 ! R66   R(36,98)                1.0855         calculate D2E/DX2 analytically  !
 ! R67   R(37,38)                1.4014         calculate D2E/DX2 analytically  !
 ! R68   R(37,99)                1.0845         calculate D2E/DX2 analytically  !
 ! R69   R(38,39)                1.4019         calculate D2E/DX2 analytically  !
 ! R70   R(38,43)                1.4153         calculate D2E/DX2 analytically  !
 ! R71   R(39,40)                1.3903         calculate D2E/DX2 analytically  !
 ! R72   R(39,100)               1.0845         calculate D2E/DX2 analytically  !
 ! R73   R(40,101)               1.0855         calculate D2E/DX2 analytically  !
 ! R74   R(41,48)                1.4021         calculate D2E/DX2 analytically  !
 ! R75   R(41,51)                1.4022         calculate D2E/DX2 analytically  !
 ! R76   R(42,44)                1.4028         calculate D2E/DX2 analytically  !
 ! R77   R(42,47)                1.4022         calculate D2E/DX2 analytically  !
 ! R78   R(43,52)                1.4027         calculate D2E/DX2 analytically  !
 ! R79   R(43,55)                1.403          calculate D2E/DX2 analytically  !
 ! R80   R(44,45)                1.4175         calculate D2E/DX2 analytically  !
 ! R81   R(44,60)                1.3975         calculate D2E/DX2 analytically  !
 ! R82   R(45,46)                1.4482         calculate D2E/DX2 analytically  !
 ! R83   R(45,63)                1.3995         calculate D2E/DX2 analytically  !
 ! R84   R(46,47)                1.4177         calculate D2E/DX2 analytically  !
 ! R85   R(46,56)                1.3994         calculate D2E/DX2 analytically  !
 ! R86   R(47,59)                1.3975         calculate D2E/DX2 analytically  !
 ! R87   R(48,49)                1.4177         calculate D2E/DX2 analytically  !
 ! R88   R(48,68)                1.3975         calculate D2E/DX2 analytically  !
 ! R89   R(49,50)                1.4482         calculate D2E/DX2 analytically  !
 ! R90   R(49,71)                1.3995         calculate D2E/DX2 analytically  !
 ! R91   R(50,51)                1.4177         calculate D2E/DX2 analytically  !
 ! R92   R(50,64)                1.3995         calculate D2E/DX2 analytically  !
 ! R93   R(51,67)                1.3975         calculate D2E/DX2 analytically  !
 ! R94   R(52,53)                1.4175         calculate D2E/DX2 analytically  !
 ! R95   R(52,76)                1.3975         calculate D2E/DX2 analytically  !
 ! R96   R(53,54)                1.4483         calculate D2E/DX2 analytically  !
 ! R97   R(53,79)                1.3994         calculate D2E/DX2 analytically  !
 ! R98   R(54,55)                1.4174         calculate D2E/DX2 analytically  !
 ! R99   R(54,72)                1.3995         calculate D2E/DX2 analytically  !
 ! R100  R(55,75)                1.3974         calculate D2E/DX2 analytically  !
 ! R101  R(56,57)                1.3917         calculate D2E/DX2 analytically  !
 ! R102  R(56,102)               1.0862         calculate D2E/DX2 analytically  !
 ! R103  R(57,58)                1.4048         calculate D2E/DX2 analytically  !
 ! R104  R(57,103)               1.0855         calculate D2E/DX2 analytically  !
 ! R105  R(58,59)                1.3933         calculate D2E/DX2 analytically  !
 ! R106  R(58,104)               1.086          calculate D2E/DX2 analytically  !
 ! R107  R(59,105)               1.0842         calculate D2E/DX2 analytically  !
 ! R108  R(60,61)                1.3932         calculate D2E/DX2 analytically  !
 ! R109  R(60,106)               1.0841         calculate D2E/DX2 analytically  !
 ! R110  R(61,62)                1.4049         calculate D2E/DX2 analytically  !
 ! R111  R(61,107)               1.0859         calculate D2E/DX2 analytically  !
 ! R112  R(62,63)                1.3915         calculate D2E/DX2 analytically  !
 ! R113  R(62,108)               1.0855         calculate D2E/DX2 analytically  !
 ! R114  R(63,109)               1.0862         calculate D2E/DX2 analytically  !
 ! R115  R(64,65)                1.3916         calculate D2E/DX2 analytically  !
 ! R116  R(64,110)               1.0862         calculate D2E/DX2 analytically  !
 ! R117  R(65,66)                1.4049         calculate D2E/DX2 analytically  !
 ! R118  R(65,111)               1.0855         calculate D2E/DX2 analytically  !
 ! R119  R(66,67)                1.3933         calculate D2E/DX2 analytically  !
 ! R120  R(66,112)               1.086          calculate D2E/DX2 analytically  !
 ! R121  R(67,113)               1.0842         calculate D2E/DX2 analytically  !
 ! R122  R(68,69)                1.3933         calculate D2E/DX2 analytically  !
 ! R123  R(68,114)               1.0842         calculate D2E/DX2 analytically  !
 ! R124  R(69,70)                1.4049         calculate D2E/DX2 analytically  !
 ! R125  R(69,115)               1.086          calculate D2E/DX2 analytically  !
 ! R126  R(70,71)                1.3916         calculate D2E/DX2 analytically  !
 ! R127  R(70,116)               1.0855         calculate D2E/DX2 analytically  !
 ! R128  R(71,117)               1.0862         calculate D2E/DX2 analytically  !
 ! R129  R(72,73)                1.3915         calculate D2E/DX2 analytically  !
 ! R130  R(72,118)               1.0862         calculate D2E/DX2 analytically  !
 ! R131  R(73,74)                1.4048         calculate D2E/DX2 analytically  !
 ! R132  R(73,119)               1.0855         calculate D2E/DX2 analytically  !
 ! R133  R(74,75)                1.3933         calculate D2E/DX2 analytically  !
 ! R134  R(74,120)               1.0859         calculate D2E/DX2 analytically  !
 ! R135  R(75,121)               1.0841         calculate D2E/DX2 analytically  !
 ! R136  R(76,77)                1.3934         calculate D2E/DX2 analytically  !
 ! R137  R(76,122)               1.0841         calculate D2E/DX2 analytically  !
 ! R138  R(77,78)                1.4048         calculate D2E/DX2 analytically  !
 ! R139  R(77,123)               1.086          calculate D2E/DX2 analytically  !
 ! R140  R(78,79)                1.3916         calculate D2E/DX2 analytically  !
 ! R141  R(78,124)               1.0855         calculate D2E/DX2 analytically  !
 ! R142  R(79,125)               1.0862         calculate D2E/DX2 analytically  !
 ! R143  R(80,126)               1.817          calculate D2E/DX2 analytically  !
 ! A1    A(2,1,6)              118.2732         calculate D2E/DX2 analytically  !
 ! A2    A(2,1,23)             120.8317         calculate D2E/DX2 analytically  !
 ! A3    A(6,1,23)             120.895          calculate D2E/DX2 analytically  !
 ! A4    A(1,2,3)              122.4935         calculate D2E/DX2 analytically  !
 ! A5    A(1,2,81)             117.6834         calculate D2E/DX2 analytically  !
 ! A6    A(3,2,81)             119.7978         calculate D2E/DX2 analytically  !
 ! A7    A(2,3,4)              117.9605         calculate D2E/DX2 analytically  !
 ! A8    A(2,3,7)              122.3395         calculate D2E/DX2 analytically  !
 ! A9    A(4,3,7)              119.6975         calculate D2E/DX2 analytically  !
 ! A10   A(3,4,5)              119.8168         calculate D2E/DX2 analytically  !
 ! A11   A(3,4,10)             120.324          calculate D2E/DX2 analytically  !
 ! A12   A(5,4,10)             119.8592         calculate D2E/DX2 analytically  !
 ! A13   A(4,5,6)              120.9464         calculate D2E/DX2 analytically  !
 ! A14   A(4,5,82)             118.2181         calculate D2E/DX2 analytically  !
 ! A15   A(6,5,82)             120.8323         calculate D2E/DX2 analytically  !
 ! A16   A(1,6,5)              120.5085         calculate D2E/DX2 analytically  !
 ! A17   A(1,6,83)             119.7395         calculate D2E/DX2 analytically  !
 ! A18   A(5,6,83)             119.7314         calculate D2E/DX2 analytically  !
 ! A19   A(3,7,8)              120.6958         calculate D2E/DX2 analytically  !
 ! A20   A(3,7,11)             121.2372         calculate D2E/DX2 analytically  !
 ! A21   A(8,7,11)             118.0653         calculate D2E/DX2 analytically  !
 ! A22   A(7,8,9)              119.2126         calculate D2E/DX2 analytically  !
 ! A23   A(7,8,14)             119.1924         calculate D2E/DX2 analytically  !
 ! A24   A(9,8,14)             121.595          calculate D2E/DX2 analytically  !
 ! A25   A(8,9,10)             120.4833         calculate D2E/DX2 analytically  !
 ! A26   A(8,9,15)             122.3808         calculate D2E/DX2 analytically  !
 ! A27   A(10,9,15)            117.1359         calculate D2E/DX2 analytically  !
 ! A28   A(4,10,9)             119.5846         calculate D2E/DX2 analytically  !
 ! A29   A(4,10,18)            118.2866         calculate D2E/DX2 analytically  !
 ! A30   A(9,10,18)            122.1288         calculate D2E/DX2 analytically  !
 ! A31   A(7,11,12)            122.7961         calculate D2E/DX2 analytically  !
 ! A32   A(7,11,84)            119.4694         calculate D2E/DX2 analytically  !
 ! A33   A(12,11,84)           117.7069         calculate D2E/DX2 analytically  !
 ! A34   A(11,12,13)           118.0051         calculate D2E/DX2 analytically  !
 ! A35   A(11,12,24)           120.9068         calculate D2E/DX2 analytically  !
 ! A36   A(13,12,24)           121.0879         calculate D2E/DX2 analytically  !
 ! A37   A(12,13,14)           120.958          calculate D2E/DX2 analytically  !
 ! A38   A(12,13,85)           120.1292         calculate D2E/DX2 analytically  !
 ! A39   A(14,13,85)           118.8923         calculate D2E/DX2 analytically  !
 ! A40   A(8,14,13)            120.9817         calculate D2E/DX2 analytically  !
 ! A41   A(8,14,86)            120.7074         calculate D2E/DX2 analytically  !
 ! A42   A(13,14,86)           118.3096         calculate D2E/DX2 analytically  !
 ! A43   A(9,15,16)            122.2717         calculate D2E/DX2 analytically  !
 ! A44   A(9,15,80)            124.1536         calculate D2E/DX2 analytically  !
 ! A45   A(9,15,126)           130.4302         calculate D2E/DX2 analytically  !
 ! A46   A(16,15,80)           113.5711         calculate D2E/DX2 analytically  !
 ! A47   A(16,15,126)          107.2912         calculate D2E/DX2 analytically  !
 ! A48   A(15,16,17)           118.1384         calculate D2E/DX2 analytically  !
 ! A49   A(15,16,19)           121.7134         calculate D2E/DX2 analytically  !
 ! A50   A(17,16,19)           120.1481         calculate D2E/DX2 analytically  !
 ! A51   A(16,17,18)           120.8697         calculate D2E/DX2 analytically  !
 ! A52   A(16,17,22)           119.3086         calculate D2E/DX2 analytically  !
 ! A53   A(18,17,22)           119.8187         calculate D2E/DX2 analytically  !
 ! A54   A(10,18,17)           119.4515         calculate D2E/DX2 analytically  !
 ! A55   A(16,19,20)           118.6701         calculate D2E/DX2 analytically  !
 ! A56   A(16,19,87)           118.8127         calculate D2E/DX2 analytically  !
 ! A57   A(20,19,87)           122.5143         calculate D2E/DX2 analytically  !
 ! A58   A(19,20,21)           122.6197         calculate D2E/DX2 analytically  !
 ! A59   A(19,20,88)           118.6436         calculate D2E/DX2 analytically  !
 ! A60   A(21,20,88)           118.7169         calculate D2E/DX2 analytically  !
 ! A61   A(20,21,22)           118.3789         calculate D2E/DX2 analytically  !
 ! A62   A(20,21,25)           120.2996         calculate D2E/DX2 analytically  !
 ! A63   A(22,21,25)           121.3213         calculate D2E/DX2 analytically  !
 ! A64   A(17,22,21)           120.8741         calculate D2E/DX2 analytically  !
 ! A65   A(17,22,89)           117.2879         calculate D2E/DX2 analytically  !
 ! A66   A(21,22,89)           121.8161         calculate D2E/DX2 analytically  !
 ! A67   A(1,23,31)            120.9758         calculate D2E/DX2 analytically  !
 ! A68   A(1,23,35)            121.2168         calculate D2E/DX2 analytically  !
 ! A69   A(31,23,35)           117.8074         calculate D2E/DX2 analytically  !
 ! A70   A(12,24,26)           120.8777         calculate D2E/DX2 analytically  !
 ! A71   A(12,24,30)           121.2849         calculate D2E/DX2 analytically  !
 ! A72   A(26,24,30)           117.8373         calculate D2E/DX2 analytically  !
 ! A73   A(21,25,36)           121.1185         calculate D2E/DX2 analytically  !
 ! A74   A(21,25,40)           121.019          calculate D2E/DX2 analytically  !
 ! A75   A(36,25,40)           117.8623         calculate D2E/DX2 analytically  !
 ! A76   A(24,26,27)           121.2462         calculate D2E/DX2 analytically  !
 ! A77   A(24,26,90)           119.6354         calculate D2E/DX2 analytically  !
 ! A78   A(27,26,90)           119.0676         calculate D2E/DX2 analytically  !
 ! A79   A(26,27,28)           120.2613         calculate D2E/DX2 analytically  !
 ! A80   A(26,27,91)           120.2258         calculate D2E/DX2 analytically  !
 ! A81   A(28,27,91)           119.5004         calculate D2E/DX2 analytically  !
 ! A82   A(27,28,29)           119.1343         calculate D2E/DX2 analytically  !
 ! A83   A(27,28,42)           120.459          calculate D2E/DX2 analytically  !
 ! A84   A(29,28,42)           120.4066         calculate D2E/DX2 analytically  !
 ! A85   A(28,29,30)           120.2241         calculate D2E/DX2 analytically  !
 ! A86   A(28,29,92)           119.4674         calculate D2E/DX2 analytically  !
 ! A87   A(30,29,92)           120.2902         calculate D2E/DX2 analytically  !
 ! A88   A(24,30,29)           121.2843         calculate D2E/DX2 analytically  !
 ! A89   A(24,30,93)           119.624          calculate D2E/DX2 analytically  !
 ! A90   A(29,30,93)           119.0261         calculate D2E/DX2 analytically  !
 ! A91   A(23,31,32)           121.2849         calculate D2E/DX2 analytically  !
 ! A92   A(23,31,94)           119.5998         calculate D2E/DX2 analytically  !
 ! A93   A(32,31,94)           119.0624         calculate D2E/DX2 analytically  !
 ! A94   A(31,32,33)           120.2424         calculate D2E/DX2 analytically  !
 ! A95   A(31,32,95)           120.2779         calculate D2E/DX2 analytically  !
 ! A96   A(33,32,95)           119.4658         calculate D2E/DX2 analytically  !
 ! A97   A(32,33,34)           119.1275         calculate D2E/DX2 analytically  !
 ! A98   A(32,33,41)           120.4427         calculate D2E/DX2 analytically  !
 ! A99   A(34,33,41)           120.4298         calculate D2E/DX2 analytically  !
 ! A100  A(33,34,35)           120.2342         calculate D2E/DX2 analytically  !
 ! A101  A(33,34,96)           119.4604         calculate D2E/DX2 analytically  !
 ! A102  A(35,34,96)           120.2885         calculate D2E/DX2 analytically  !
 ! A103  A(23,35,34)           121.293          calculate D2E/DX2 analytically  !
 ! A104  A(23,35,97)           119.5748         calculate D2E/DX2 analytically  !
 ! A105  A(34,35,97)           119.0737         calculate D2E/DX2 analytically  !
 ! A106  A(25,36,37)           121.2335         calculate D2E/DX2 analytically  !
 ! A107  A(25,36,98)           119.7966         calculate D2E/DX2 analytically  !
 ! A108  A(37,36,98)           118.9133         calculate D2E/DX2 analytically  !
 ! A109  A(36,37,38)           120.2658         calculate D2E/DX2 analytically  !
 ! A110  A(36,37,99)           120.2155         calculate D2E/DX2 analytically  !
 ! A111  A(38,37,99)           119.5055         calculate D2E/DX2 analytically  !
 ! A112  A(37,38,39)           119.113          calculate D2E/DX2 analytically  !
 ! A113  A(37,38,43)           120.4653         calculate D2E/DX2 analytically  !
 ! A114  A(39,38,43)           120.4216         calculate D2E/DX2 analytically  !
 ! A115  A(38,39,40)           120.2455         calculate D2E/DX2 analytically  !
 ! A116  A(38,39,100)          119.4777         calculate D2E/DX2 analytically  !
 ! A117  A(40,39,100)          120.2583         calculate D2E/DX2 analytically  !
 ! A118  A(25,40,39)           121.2681         calculate D2E/DX2 analytically  !
 ! A119  A(25,40,101)          119.5718         calculate D2E/DX2 analytically  !
 ! A120  A(39,40,101)          119.1046         calculate D2E/DX2 analytically  !
 ! A121  A(33,41,48)           125.8252         calculate D2E/DX2 analytically  !
 ! A122  A(33,41,51)           125.8448         calculate D2E/DX2 analytically  !
 ! A123  A(48,41,51)           108.33           calculate D2E/DX2 analytically  !
 ! A124  A(28,42,44)           125.8476         calculate D2E/DX2 analytically  !
 ! A125  A(28,42,47)           125.8312         calculate D2E/DX2 analytically  !
 ! A126  A(44,42,47)           108.3212         calculate D2E/DX2 analytically  !
 ! A127  A(38,43,52)           125.8207         calculate D2E/DX2 analytically  !
 ! A128  A(38,43,55)           125.8595         calculate D2E/DX2 analytically  !
 ! A129  A(52,43,55)           108.3199         calculate D2E/DX2 analytically  !
 ! A130  A(42,44,45)           108.9025         calculate D2E/DX2 analytically  !
 ! A131  A(42,44,60)           129.5197         calculate D2E/DX2 analytically  !
 ! A132  A(45,44,60)           121.5425         calculate D2E/DX2 analytically  !
 ! A133  A(44,45,46)           106.9347         calculate D2E/DX2 analytically  !
 ! A134  A(44,45,63)           119.5698         calculate D2E/DX2 analytically  !
 ! A135  A(46,45,63)           133.4912         calculate D2E/DX2 analytically  !
 ! A136  A(45,46,47)           106.9275         calculate D2E/DX2 analytically  !
 ! A137  A(45,46,56)           133.5027         calculate D2E/DX2 analytically  !
 ! A138  A(47,46,56)           119.5654         calculate D2E/DX2 analytically  !
 ! A139  A(42,47,46)           108.9139         calculate D2E/DX2 analytically  !
 ! A140  A(42,47,59)           129.5393         calculate D2E/DX2 analytically  !
 ! A141  A(46,47,59)           121.5113         calculate D2E/DX2 analytically  !
 ! A142  A(41,48,49)           108.9148         calculate D2E/DX2 analytically  !
 ! A143  A(41,48,68)           129.5178         calculate D2E/DX2 analytically  !
 ! A144  A(49,48,68)           121.5342         calculate D2E/DX2 analytically  !
 ! A145  A(48,49,50)           106.9203         calculate D2E/DX2 analytically  !
 ! A146  A(48,49,71)           119.5573         calculate D2E/DX2 analytically  !
 ! A147  A(50,49,71)           133.5181         calculate D2E/DX2 analytically  !
 ! A148  A(49,50,51)           106.9231         calculate D2E/DX2 analytically  !
 ! A149  A(49,50,64)           133.5145         calculate D2E/DX2 analytically  !
 ! A150  A(51,50,64)           119.5583         calculate D2E/DX2 analytically  !
 ! A151  A(41,51,50)           108.9115         calculate D2E/DX2 analytically  !
 ! A152  A(41,51,67)           129.5155         calculate D2E/DX2 analytically  !
 ! A153  A(50,51,67)           121.5399         calculate D2E/DX2 analytically  !
 ! A154  A(43,52,53)           108.9005         calculate D2E/DX2 analytically  !
 ! A155  A(43,52,76)           129.5398         calculate D2E/DX2 analytically  !
 ! A156  A(53,52,76)           121.5227         calculate D2E/DX2 analytically  !
 ! A157  A(52,53,54)           106.9406         calculate D2E/DX2 analytically  !
 ! A158  A(52,53,79)           119.5692         calculate D2E/DX2 analytically  !
 ! A159  A(54,53,79)           133.4855         calculate D2E/DX2 analytically  !
 ! A160  A(53,54,55)           106.9444         calculate D2E/DX2 analytically  !
 ! A161  A(53,54,72)           133.4776         calculate D2E/DX2 analytically  !
 ! A162  A(55,54,72)           119.5735         calculate D2E/DX2 analytically  !
 ! A163  A(43,55,54)           108.8943         calculate D2E/DX2 analytically  !
 ! A164  A(43,55,75)           129.5378         calculate D2E/DX2 analytically  !
 ! A165  A(54,55,75)           121.5316         calculate D2E/DX2 analytically  !
 ! A166  A(46,56,57)           119.1705         calculate D2E/DX2 analytically  !
 ! A167  A(46,56,102)          120.3253         calculate D2E/DX2 analytically  !
 ! A168  A(57,56,102)          120.5033         calculate D2E/DX2 analytically  !
 ! A169  A(56,57,58)           120.5411         calculate D2E/DX2 analytically  !
 ! A170  A(56,57,103)          119.8589         calculate D2E/DX2 analytically  !
 ! A171  A(58,57,103)          119.599          calculate D2E/DX2 analytically  !
 ! A172  A(57,58,59)           121.4429         calculate D2E/DX2 analytically  !
 ! A173  A(57,58,104)          119.4765         calculate D2E/DX2 analytically  !
 ! A174  A(59,58,104)          119.0802         calculate D2E/DX2 analytically  !
 ! A175  A(47,59,58)           117.7573         calculate D2E/DX2 analytically  !
 ! A176  A(47,59,105)          121.3624         calculate D2E/DX2 analytically  !
 ! A177  A(58,59,105)          120.8783         calculate D2E/DX2 analytically  !
 ! A178  A(44,60,61)           117.7202         calculate D2E/DX2 analytically  !
 ! A179  A(44,60,106)          121.4349         calculate D2E/DX2 analytically  !
 ! A180  A(61,60,106)          120.8433         calculate D2E/DX2 analytically  !
 ! A181  A(60,61,62)           121.458          calculate D2E/DX2 analytically  !
 ! A182  A(60,61,107)          119.0489         calculate D2E/DX2 analytically  !
 ! A183  A(62,61,107)          119.4929         calculate D2E/DX2 analytically  !
 ! A184  A(61,62,63)           120.5538         calculate D2E/DX2 analytically  !
 ! A185  A(61,62,108)          119.5857         calculate D2E/DX2 analytically  !
 ! A186  A(63,62,108)          119.8596         calculate D2E/DX2 analytically  !
 ! A187  A(45,63,62)           119.1442         calculate D2E/DX2 analytically  !
 ! A188  A(45,63,109)          120.3384         calculate D2E/DX2 analytically  !
 ! A189  A(62,63,109)          120.5167         calculate D2E/DX2 analytically  !
 ! A190  A(50,64,65)           119.1571         calculate D2E/DX2 analytically  !
 ! A191  A(50,64,110)          120.3351         calculate D2E/DX2 analytically  !
 ! A192  A(65,64,110)          120.5071         calculate D2E/DX2 analytically  !
 ! A193  A(64,65,66)           120.5513         calculate D2E/DX2 analytically  !
 ! A194  A(64,65,111)          119.8563         calculate D2E/DX2 analytically  !
 ! A195  A(66,65,111)          119.5916         calculate D2E/DX2 analytically  !
 ! A196  A(65,66,67)           121.4513         calculate D2E/DX2 analytically  !
 ! A197  A(65,66,112)          119.477          calculate D2E/DX2 analytically  !
 ! A198  A(67,66,112)          119.0714         calculate D2E/DX2 analytically  !
 ! A199  A(51,67,66)           117.7316         calculate D2E/DX2 analytically  !
 ! A200  A(51,67,113)          121.3806         calculate D2E/DX2 analytically  !
 ! A201  A(66,67,113)          120.8861         calculate D2E/DX2 analytically  !
 ! A202  A(48,68,69)           117.7405         calculate D2E/DX2 analytically  !
 ! A203  A(48,68,114)          121.3641         calculate D2E/DX2 analytically  !
 ! A204  A(69,68,114)          120.8937         calculate D2E/DX2 analytically  !
 ! A205  A(68,69,70)           121.4455         calculate D2E/DX2 analytically  !
 ! A206  A(68,69,115)          119.0825         calculate D2E/DX2 analytically  !
 ! A207  A(70,69,115)          119.4716         calculate D2E/DX2 analytically  !
 ! A208  A(69,70,71)           120.5504         calculate D2E/DX2 analytically  !
 ! A209  A(69,70,116)          119.5902         calculate D2E/DX2 analytically  !
 ! A210  A(71,70,116)          119.8586         calculate D2E/DX2 analytically  !
 ! A211  A(49,71,70)           119.1614         calculate D2E/DX2 analytically  !
 ! A212  A(49,71,117)          120.334          calculate D2E/DX2 analytically  !
 ! A213  A(70,71,117)          120.5038         calculate D2E/DX2 analytically  !
 ! A214  A(54,72,73)           119.1494         calculate D2E/DX2 analytically  !
 ! A215  A(54,72,118)          120.3354         calculate D2E/DX2 analytically  !
 ! A216  A(73,72,118)          120.5144         calculate D2E/DX2 analytically  !
 ! A217  A(72,73,74)           120.5494         calculate D2E/DX2 analytically  !
 ! A218  A(72,73,119)          119.8603         calculate D2E/DX2 analytically  !
 ! A219  A(74,73,119)          119.5894         calculate D2E/DX2 analytically  !
 ! A220  A(73,74,75)           121.4525         calculate D2E/DX2 analytically  !
 ! A221  A(73,74,120)          119.4914         calculate D2E/DX2 analytically  !
 ! A222  A(75,74,120)          119.0558         calculate D2E/DX2 analytically  !
 ! A223  A(55,75,74)           117.7317         calculate D2E/DX2 analytically  !
 ! A224  A(55,75,121)          121.4336         calculate D2E/DX2 analytically  !
 ! A225  A(74,75,121)          120.8329         calculate D2E/DX2 analytically  !
 ! A226  A(52,76,77)           117.7434         calculate D2E/DX2 analytically  !
 ! A227  A(52,76,122)          121.404          calculate D2E/DX2 analytically  !
 ! A228  A(77,76,122)          120.8507         calculate D2E/DX2 analytically  !
 ! A229  A(76,77,78)           121.4474         calculate D2E/DX2 analytically  !
 ! A230  A(76,77,123)          119.0667         calculate D2E/DX2 analytically  !
 ! A231  A(78,77,123)          119.4856         calculate D2E/DX2 analytically  !
 ! A232  A(77,78,79)           120.5449         calculate D2E/DX2 analytically  !
 ! A233  A(77,78,124)          119.5973         calculate D2E/DX2 analytically  !
 ! A234  A(79,78,124)          119.8568         calculate D2E/DX2 analytically  !
 ! A235  A(53,79,78)           119.1604         calculate D2E/DX2 analytically  !
 ! A236  A(53,79,125)          120.3304         calculate D2E/DX2 analytically  !
 ! A237  A(78,79,125)          120.5083         calculate D2E/DX2 analytically  !
 ! D1    D(6,1,2,3)             -0.2984         calculate D2E/DX2 analytically  !
 ! D2    D(6,1,2,81)           177.866          calculate D2E/DX2 analytically  !
 ! D3    D(23,1,2,3)           179.8192         calculate D2E/DX2 analytically  !
 ! D4    D(23,1,2,81)           -2.0163         calculate D2E/DX2 analytically  !
 ! D5    D(2,1,6,5)              0.0226         calculate D2E/DX2 analytically  !
 ! D6    D(2,1,6,83)           178.3674         calculate D2E/DX2 analytically  !
 ! D7    D(23,1,6,5)           179.9049         calculate D2E/DX2 analytically  !
 ! D8    D(23,1,6,83)           -1.7503         calculate D2E/DX2 analytically  !
 ! D9    D(2,1,23,31)          143.0204         calculate D2E/DX2 analytically  !
 ! D10   D(2,1,23,35)          -37.0315         calculate D2E/DX2 analytically  !
 ! D11   D(6,1,23,31)          -36.8588         calculate D2E/DX2 analytically  !
 ! D12   D(6,1,23,35)          143.0892         calculate D2E/DX2 analytically  !
 ! D13   D(1,2,3,4)              0.3922         calculate D2E/DX2 analytically  !
 ! D14   D(1,2,3,7)            179.8098         calculate D2E/DX2 analytically  !
 ! D15   D(81,2,3,4)          -177.7347         calculate D2E/DX2 analytically  !
 ! D16   D(81,2,3,7)             1.6828         calculate D2E/DX2 analytically  !
 ! D17   D(2,3,4,5)             -0.2133         calculate D2E/DX2 analytically  !
 ! D18   D(2,3,4,10)           179.7897         calculate D2E/DX2 analytically  !
 ! D19   D(7,3,4,5)           -179.6468         calculate D2E/DX2 analytically  !
 ! D20   D(7,3,4,10)             0.3562         calculate D2E/DX2 analytically  !
 ! D21   D(2,3,7,8)           -179.8126         calculate D2E/DX2 analytically  !
 ! D22   D(2,3,7,11)             0.6794         calculate D2E/DX2 analytically  !
 ! D23   D(4,3,7,8)             -0.4048         calculate D2E/DX2 analytically  !
 ! D24   D(4,3,7,11)          -179.9128         calculate D2E/DX2 analytically  !
 ! D25   D(3,4,5,6)             -0.0477         calculate D2E/DX2 analytically  !
 ! D26   D(3,4,5,82)          -179.4064         calculate D2E/DX2 analytically  !
 ! D27   D(10,4,5,6)           179.9493         calculate D2E/DX2 analytically  !
 ! D28   D(10,4,5,82)            0.5906         calculate D2E/DX2 analytically  !
 ! D29   D(3,4,10,9)             0.0474         calculate D2E/DX2 analytically  !
 ! D30   D(3,4,10,18)         -179.9293         calculate D2E/DX2 analytically  !
 ! D31   D(5,4,10,9)          -179.9496         calculate D2E/DX2 analytically  !
 ! D32   D(5,4,10,18)            0.0737         calculate D2E/DX2 analytically  !
 ! D33   D(4,5,6,1)              0.1463         calculate D2E/DX2 analytically  !
 ! D34   D(4,5,6,83)          -178.1987         calculate D2E/DX2 analytically  !
 ! D35   D(82,5,6,1)           179.4882         calculate D2E/DX2 analytically  !
 ! D36   D(82,5,6,83)            1.1433         calculate D2E/DX2 analytically  !
 ! D37   D(3,7,8,9)              0.0408         calculate D2E/DX2 analytically  !
 ! D38   D(3,7,8,14)          -179.9273         calculate D2E/DX2 analytically  !
 ! D39   D(11,7,8,9)           179.564          calculate D2E/DX2 analytically  !
 ! D40   D(11,7,8,14)           -0.404          calculate D2E/DX2 analytically  !
 ! D41   D(3,7,11,12)          179.9524         calculate D2E/DX2 analytically  !
 ! D42   D(3,7,11,84)            1.9056         calculate D2E/DX2 analytically  !
 ! D43   D(8,7,11,12)            0.4318         calculate D2E/DX2 analytically  !
 ! D44   D(8,7,11,84)         -177.615          calculate D2E/DX2 analytically  !
 ! D45   D(7,8,9,10)             0.3678         calculate D2E/DX2 analytically  !
 ! D46   D(7,8,9,15)          -179.5577         calculate D2E/DX2 analytically  !
 ! D47   D(14,8,9,10)         -179.6649         calculate D2E/DX2 analytically  !
 ! D48   D(14,8,9,15)            0.4095         calculate D2E/DX2 analytically  !
 ! D49   D(7,8,14,13)            0.1411         calculate D2E/DX2 analytically  !
 ! D50   D(7,8,14,86)         -179.42           calculate D2E/DX2 analytically  !
 ! D51   D(9,8,14,13)         -179.8262         calculate D2E/DX2 analytically  !
 ! D52   D(9,8,14,86)            0.6127         calculate D2E/DX2 analytically  !
 ! D53   D(8,9,10,4)            -0.4156         calculate D2E/DX2 analytically  !
 ! D54   D(8,9,10,18)          179.5602         calculate D2E/DX2 analytically  !
 ! D55   D(15,9,10,4)          179.5137         calculate D2E/DX2 analytically  !
 ! D56   D(15,9,10,18)          -0.5105         calculate D2E/DX2 analytically  !
 ! D57   D(8,9,15,16)         -179.7103         calculate D2E/DX2 analytically  !
 ! D58   D(8,9,15,80)            1.0238         calculate D2E/DX2 analytically  !
 ! D59   D(8,9,15,126)           1.3761         calculate D2E/DX2 analytically  !
 ! D60   D(10,9,15,16)           0.3618         calculate D2E/DX2 analytically  !
 ! D61   D(10,9,15,80)        -178.9041         calculate D2E/DX2 analytically  !
 ! D62   D(10,9,15,126)       -178.5518         calculate D2E/DX2 analytically  !
 ! D63   D(4,10,18,17)        -179.9391         calculate D2E/DX2 analytically  !
 ! D64   D(9,10,18,17)           0.0848         calculate D2E/DX2 analytically  !
 ! D65   D(7,11,12,13)          -0.1793         calculate D2E/DX2 analytically  !
 ! D66   D(7,11,12,24)         179.9797         calculate D2E/DX2 analytically  !
 ! D67   D(84,11,12,13)        177.9            calculate D2E/DX2 analytically  !
 ! D68   D(84,11,12,24)         -1.941          calculate D2E/DX2 analytically  !
 ! D69   D(11,12,13,14)         -0.104          calculate D2E/DX2 analytically  !
 ! D70   D(11,12,13,85)        178.2302         calculate D2E/DX2 analytically  !
 ! D71   D(24,12,13,14)        179.7367         calculate D2E/DX2 analytically  !
 ! D72   D(24,12,13,85)         -1.9291         calculate D2E/DX2 analytically  !
 ! D73   D(11,12,24,26)        144.429          calculate D2E/DX2 analytically  !
 ! D74   D(11,12,24,30)        -35.6563         calculate D2E/DX2 analytically  !
 ! D75   D(13,12,24,26)        -35.4071         calculate D2E/DX2 analytically  !
 ! D76   D(13,12,24,30)        144.5076         calculate D2E/DX2 analytically  !
 ! D77   D(12,13,14,8)           0.1191         calculate D2E/DX2 analytically  !
 ! D78   D(12,13,14,86)        179.6904         calculate D2E/DX2 analytically  !
 ! D79   D(85,13,14,8)        -178.2353         calculate D2E/DX2 analytically  !
 ! D80   D(85,13,14,86)          1.336          calculate D2E/DX2 analytically  !
 ! D81   D(9,15,16,17)           0.1697         calculate D2E/DX2 analytically  !
 ! D82   D(9,15,16,19)        -179.9591         calculate D2E/DX2 analytically  !
 ! D83   D(80,15,16,17)        179.5069         calculate D2E/DX2 analytically  !
 ! D84   D(80,15,16,19)         -0.6218         calculate D2E/DX2 analytically  !
 ! D85   D(126,15,16,17)       179.3036         calculate D2E/DX2 analytically  !
 ! D86   D(126,15,16,19)        -0.8251         calculate D2E/DX2 analytically  !
 ! D87   D(15,16,17,18)         -0.6159         calculate D2E/DX2 analytically  !
 ! D88   D(15,16,17,22)       -179.9853         calculate D2E/DX2 analytically  !
 ! D89   D(19,16,17,18)        179.5107         calculate D2E/DX2 analytically  !
 ! D90   D(19,16,17,22)          0.1414         calculate D2E/DX2 analytically  !
 ! D91   D(15,16,19,20)       -179.8422         calculate D2E/DX2 analytically  !
 ! D92   D(15,16,19,87)         -0.448          calculate D2E/DX2 analytically  !
 ! D93   D(17,16,19,20)          0.0265         calculate D2E/DX2 analytically  !
 ! D94   D(17,16,19,87)        179.4207         calculate D2E/DX2 analytically  !
 ! D95   D(16,17,18,10)          0.4805         calculate D2E/DX2 analytically  !
 ! D96   D(22,17,18,10)        179.8466         calculate D2E/DX2 analytically  !
 ! D97   D(16,17,22,21)         -0.245          calculate D2E/DX2 analytically  !
 ! D98   D(16,17,22,89)        178.0858         calculate D2E/DX2 analytically  !
 ! D99   D(18,17,22,21)       -179.621          calculate D2E/DX2 analytically  !
 ! D100  D(18,17,22,89)         -1.2903         calculate D2E/DX2 analytically  !
 ! D101  D(16,19,20,21)         -0.0983         calculate D2E/DX2 analytically  !
 ! D102  D(16,19,20,88)        178.2621         calculate D2E/DX2 analytically  !
 ! D103  D(87,19,20,21)       -179.4688         calculate D2E/DX2 analytically  !
 ! D104  D(87,19,20,88)         -1.1085         calculate D2E/DX2 analytically  !
 ! D105  D(19,20,21,22)         -0.0017         calculate D2E/DX2 analytically  !
 ! D106  D(19,20,21,25)        179.8835         calculate D2E/DX2 analytically  !
 ! D107  D(88,20,21,22)       -178.3609         calculate D2E/DX2 analytically  !
 ! D108  D(88,20,21,25)          1.5243         calculate D2E/DX2 analytically  !
 ! D109  D(20,21,22,17)          0.1756         calculate D2E/DX2 analytically  !
 ! D110  D(20,21,22,89)       -178.0785         calculate D2E/DX2 analytically  !
 ! D111  D(25,21,22,17)       -179.7083         calculate D2E/DX2 analytically  !
 ! D112  D(25,21,22,89)          2.0376         calculate D2E/DX2 analytically  !
 ! D113  D(20,21,25,36)         35.3475         calculate D2E/DX2 analytically  !
 ! D114  D(20,21,25,40)       -144.8296         calculate D2E/DX2 analytically  !
 ! D115  D(22,21,25,36)       -144.7707         calculate D2E/DX2 analytically  !
 ! D116  D(22,21,25,40)         35.0521         calculate D2E/DX2 analytically  !
 ! D117  D(1,23,31,32)        -179.3747         calculate D2E/DX2 analytically  !
 ! D118  D(1,23,31,94)          -2.0437         calculate D2E/DX2 analytically  !
 ! D119  D(35,23,31,32)          0.6755         calculate D2E/DX2 analytically  !
 ! D120  D(35,23,31,94)        178.0065         calculate D2E/DX2 analytically  !
 ! D121  D(1,23,35,34)        -179.666          calculate D2E/DX2 analytically  !
 ! D122  D(1,23,35,97)          -2.4743         calculate D2E/DX2 analytically  !
 ! D123  D(31,23,35,34)          0.2837         calculate D2E/DX2 analytically  !
 ! D124  D(31,23,35,97)        177.4754         calculate D2E/DX2 analytically  !
 ! D125  D(12,24,26,27)       -179.3506         calculate D2E/DX2 analytically  !
 ! D126  D(12,24,26,90)         -1.9671         calculate D2E/DX2 analytically  !
 ! D127  D(30,24,26,27)          0.7318         calculate D2E/DX2 analytically  !
 ! D128  D(30,24,26,90)        178.1153         calculate D2E/DX2 analytically  !
 ! D129  D(12,24,30,29)       -179.6008         calculate D2E/DX2 analytically  !
 ! D130  D(12,24,30,93)         -2.5768         calculate D2E/DX2 analytically  !
 ! D131  D(26,24,30,29)          0.3164         calculate D2E/DX2 analytically  !
 ! D132  D(26,24,30,93)        177.3404         calculate D2E/DX2 analytically  !
 ! D133  D(21,25,36,37)        179.073          calculate D2E/DX2 analytically  !
 ! D134  D(21,25,36,98)          1.8392         calculate D2E/DX2 analytically  !
 ! D135  D(40,25,36,37)         -0.7553         calculate D2E/DX2 analytically  !
 ! D136  D(40,25,36,98)       -177.9891         calculate D2E/DX2 analytically  !
 ! D137  D(21,25,40,39)        179.9178         calculate D2E/DX2 analytically  !
 ! D138  D(21,25,40,101)         2.6504         calculate D2E/DX2 analytically  !
 ! D139  D(36,25,40,39)         -0.2538         calculate D2E/DX2 analytically  !
 ! D140  D(36,25,40,101)      -177.5212         calculate D2E/DX2 analytically  !
 ! D141  D(24,26,27,28)         -1.1214         calculate D2E/DX2 analytically  !
 ! D142  D(24,26,27,91)        177.5837         calculate D2E/DX2 analytically  !
 ! D143  D(90,26,27,28)       -178.5194         calculate D2E/DX2 analytically  !
 ! D144  D(90,26,27,91)          0.1857         calculate D2E/DX2 analytically  !
 ! D145  D(26,27,28,29)          0.4502         calculate D2E/DX2 analytically  !
 ! D146  D(26,27,28,42)       -179.4266         calculate D2E/DX2 analytically  !
 ! D147  D(91,27,28,29)       -178.2643         calculate D2E/DX2 analytically  !
 ! D148  D(91,27,28,42)          1.859          calculate D2E/DX2 analytically  !
 ! D149  D(27,28,29,30)          0.5831         calculate D2E/DX2 analytically  !
 ! D150  D(27,28,29,92)       -177.8653         calculate D2E/DX2 analytically  !
 ! D151  D(42,28,29,30)       -179.5401         calculate D2E/DX2 analytically  !
 ! D152  D(42,28,29,92)          2.0115         calculate D2E/DX2 analytically  !
 ! D153  D(27,28,42,44)         52.077          calculate D2E/DX2 analytically  !
 ! D154  D(27,28,42,47)       -127.9101         calculate D2E/DX2 analytically  !
 ! D155  D(29,28,42,44)       -127.7982         calculate D2E/DX2 analytically  !
 ! D156  D(29,28,42,47)         52.2147         calculate D2E/DX2 analytically  !
 ! D157  D(28,29,30,24)         -0.9742         calculate D2E/DX2 analytically  !
 ! D158  D(28,29,30,93)       -178.0157         calculate D2E/DX2 analytically  !
 ! D159  D(92,29,30,24)        177.4613         calculate D2E/DX2 analytically  !
 ! D160  D(92,29,30,93)          0.4199         calculate D2E/DX2 analytically  !
 ! D161  D(23,31,32,33)         -1.0343         calculate D2E/DX2 analytically  !
 ! D162  D(23,31,32,95)        177.6069         calculate D2E/DX2 analytically  !
 ! D163  D(94,31,32,33)       -178.3793         calculate D2E/DX2 analytically  !
 ! D164  D(94,31,32,95)          0.2619         calculate D2E/DX2 analytically  !
 ! D165  D(31,32,33,34)          0.4215         calculate D2E/DX2 analytically  !
 ! D166  D(31,32,33,41)       -179.5068         calculate D2E/DX2 analytically  !
 ! D167  D(95,32,33,34)       -178.2307         calculate D2E/DX2 analytically  !
 ! D168  D(95,32,33,41)          1.841          calculate D2E/DX2 analytically  !
 ! D169  D(32,33,34,35)          0.5236         calculate D2E/DX2 analytically  !
 ! D170  D(32,33,34,96)       -177.987          calculate D2E/DX2 analytically  !
 ! D171  D(41,33,34,35)       -179.5481         calculate D2E/DX2 analytically  !
 ! D172  D(41,33,34,96)          1.9413         calculate D2E/DX2 analytically  !
 ! D173  D(32,33,41,48)       -127.1962         calculate D2E/DX2 analytically  !
 ! D174  D(32,33,41,51)         52.7599         calculate D2E/DX2 analytically  !
 ! D175  D(34,33,41,48)         52.8765         calculate D2E/DX2 analytically  !
 ! D176  D(34,33,41,51)       -127.1674         calculate D2E/DX2 analytically  !
 ! D177  D(33,34,35,23)         -0.8836         calculate D2E/DX2 analytically  !
 ! D178  D(33,34,35,97)       -178.0891         calculate D2E/DX2 analytically  !
 ! D179  D(96,34,35,23)        177.6146         calculate D2E/DX2 analytically  !
 ! D180  D(96,34,35,97)          0.4091         calculate D2E/DX2 analytically  !
 ! D181  D(25,36,37,38)          1.1334         calculate D2E/DX2 analytically  !
 ! D182  D(25,36,37,99)       -177.5405         calculate D2E/DX2 analytically  !
 ! D183  D(98,36,37,38)        178.3911         calculate D2E/DX2 analytically  !
 ! D184  D(98,36,37,99)         -0.2829         calculate D2E/DX2 analytically  !
 ! D185  D(36,37,38,39)         -0.4881         calculate D2E/DX2 analytically  !
 ! D186  D(36,37,38,43)        179.3732         calculate D2E/DX2 analytically  !
 ! D187  D(99,37,38,39)        178.1953         calculate D2E/DX2 analytically  !
 ! D188  D(99,37,38,43)         -1.9434         calculate D2E/DX2 analytically  !
 ! D189  D(37,38,39,40)         -0.507          calculate D2E/DX2 analytically  !
 ! D190  D(37,38,39,100)       177.9332         calculate D2E/DX2 analytically  !
 ! D191  D(43,38,39,40)        179.6316         calculate D2E/DX2 analytically  !
 ! D192  D(43,38,39,100)        -1.9282         calculate D2E/DX2 analytically  !
 ! D193  D(37,38,43,52)        128.2433         calculate D2E/DX2 analytically  !
 ! D194  D(37,38,43,55)        -51.8358         calculate D2E/DX2 analytically  !
 ! D195  D(39,38,43,52)        -51.8972         calculate D2E/DX2 analytically  !
 ! D196  D(39,38,43,55)        128.0237         calculate D2E/DX2 analytically  !
 ! D197  D(38,39,40,25)          0.8843         calculate D2E/DX2 analytically  !
 ! D198  D(38,39,40,101)       178.1642         calculate D2E/DX2 analytically  !
 ! D199  D(100,39,40,25)      -177.5437         calculate D2E/DX2 analytically  !
 ! D200  D(100,39,40,101)       -0.2637         calculate D2E/DX2 analytically  !
 ! D201  D(33,41,48,49)        179.9127         calculate D2E/DX2 analytically  !
 ! D202  D(33,41,48,68)          2.0229         calculate D2E/DX2 analytically  !
 ! D203  D(51,41,48,49)         -0.0498         calculate D2E/DX2 analytically  !
 ! D204  D(51,41,48,68)       -177.9397         calculate D2E/DX2 analytically  !
 ! D205  D(33,41,51,50)        179.9836         calculate D2E/DX2 analytically  !
 ! D206  D(33,41,51,67)          2.0874         calculate D2E/DX2 analytically  !
 ! D207  D(48,41,51,50)         -0.0538         calculate D2E/DX2 analytically  !
 ! D208  D(48,41,51,67)       -177.9501         calculate D2E/DX2 analytically  !
 ! D209  D(28,42,44,45)        179.9525         calculate D2E/DX2 analytically  !
 ! D210  D(28,42,44,60)          2.124          calculate D2E/DX2 analytically  !
 ! D211  D(47,42,44,45)         -0.0585         calculate D2E/DX2 analytically  !
 ! D212  D(47,42,44,60)       -177.887          calculate D2E/DX2 analytically  !
 ! D213  D(28,42,47,46)        179.9409         calculate D2E/DX2 analytically  !
 ! D214  D(28,42,47,59)          2.1244         calculate D2E/DX2 analytically  !
 ! D215  D(44,42,47,46)         -0.0481         calculate D2E/DX2 analytically  !
 ! D216  D(44,42,47,59)       -177.8646         calculate D2E/DX2 analytically  !
 ! D217  D(38,43,52,53)        179.9919         calculate D2E/DX2 analytically  !
 ! D218  D(38,43,52,76)         -2.2336         calculate D2E/DX2 analytically  !
 ! D219  D(55,43,52,53)          0.0595         calculate D2E/DX2 analytically  !
 ! D220  D(55,43,52,76)        177.834          calculate D2E/DX2 analytically  !
 ! D221  D(38,43,55,54)       -179.8833         calculate D2E/DX2 analytically  !
 ! D222  D(38,43,55,75)         -2.0873         calculate D2E/DX2 analytically  !
 ! D223  D(52,43,55,54)          0.0491         calculate D2E/DX2 analytically  !
 ! D224  D(52,43,55,75)        177.8451         calculate D2E/DX2 analytically  !
 ! D225  D(42,44,45,46)          0.139          calculate D2E/DX2 analytically  !
 ! D226  D(42,44,45,63)       -179.2043         calculate D2E/DX2 analytically  !
 ! D227  D(60,44,45,46)        178.1736         calculate D2E/DX2 analytically  !
 ! D228  D(60,44,45,63)         -1.1697         calculate D2E/DX2 analytically  !
 ! D229  D(42,44,60,61)        178.7205         calculate D2E/DX2 analytically  !
 ! D230  D(42,44,60,106)        -0.821          calculate D2E/DX2 analytically  !
 ! D231  D(45,44,60,61)          1.1312         calculate D2E/DX2 analytically  !
 ! D232  D(45,44,60,106)      -178.4103         calculate D2E/DX2 analytically  !
 ! D233  D(44,45,46,47)         -0.1655         calculate D2E/DX2 analytically  !
 ! D234  D(44,45,46,56)        179.0336         calculate D2E/DX2 analytically  !
 ! D235  D(63,45,46,47)        179.0472         calculate D2E/DX2 analytically  !
 ! D236  D(63,45,46,56)         -1.7537         calculate D2E/DX2 analytically  !
 ! D237  D(44,45,63,62)          0.3565         calculate D2E/DX2 analytically  !
 ! D238  D(44,45,63,109)      -179.9545         calculate D2E/DX2 analytically  !
 ! D239  D(46,45,63,62)       -178.7775         calculate D2E/DX2 analytically  !
 ! D240  D(46,45,63,109)         0.9114         calculate D2E/DX2 analytically  !
 ! D241  D(45,46,47,42)          0.1326         calculate D2E/DX2 analytically  !
 ! D242  D(45,46,47,59)        178.1576         calculate D2E/DX2 analytically  !
 ! D243  D(56,46,47,42)       -179.1995         calculate D2E/DX2 analytically  !
 ! D244  D(56,46,47,59)         -1.1745         calculate D2E/DX2 analytically  !
 ! D245  D(45,46,56,57)       -178.7534         calculate D2E/DX2 analytically  !
 ! D246  D(45,46,56,102)         0.9118         calculate D2E/DX2 analytically  !
 ! D247  D(47,46,56,57)          0.3657         calculate D2E/DX2 analytically  !
 ! D248  D(47,46,56,102)      -179.9691         calculate D2E/DX2 analytically  !
 ! D249  D(42,47,59,58)        178.7019         calculate D2E/DX2 analytically  !
 ! D250  D(42,47,59,105)        -0.7967         calculate D2E/DX2 analytically  !
 ! D251  D(46,47,59,58)          1.1249         calculate D2E/DX2 analytically  !
 ! D252  D(46,47,59,105)      -178.3737         calculate D2E/DX2 analytically  !
 ! D253  D(41,48,49,50)          0.1308         calculate D2E/DX2 analytically  !
 ! D254  D(41,48,49,71)       -179.2197         calculate D2E/DX2 analytically  !
 ! D255  D(68,48,49,50)        178.2211         calculate D2E/DX2 analytically  !
 ! D256  D(68,48,49,71)         -1.1294         calculate D2E/DX2 analytically  !
 ! D257  D(41,48,68,69)        178.7344         calculate D2E/DX2 analytically  !
 ! D258  D(41,48,68,114)        -0.7978         calculate D2E/DX2 analytically  !
 ! D259  D(49,48,68,69)          1.0765         calculate D2E/DX2 analytically  !
 ! D260  D(49,48,68,114)      -178.4556         calculate D2E/DX2 analytically  !
 ! D261  D(48,49,50,51)         -0.1609         calculate D2E/DX2 analytically  !
 ! D262  D(48,49,50,64)        179.0706         calculate D2E/DX2 analytically  !
 ! D263  D(71,49,50,51)        179.06           calculate D2E/DX2 analytically  !
 ! D264  D(71,49,50,64)         -1.7085         calculate D2E/DX2 analytically  !
 ! D265  D(48,49,71,70)          0.3578         calculate D2E/DX2 analytically  !
 ! D266  D(48,49,71,117)      -179.9625         calculate D2E/DX2 analytically  !
 ! D267  D(50,49,71,70)       -178.7853         calculate D2E/DX2 analytically  !
 ! D268  D(50,49,71,117)         0.8944         calculate D2E/DX2 analytically  !
 ! D269  D(49,50,51,41)          0.1333         calculate D2E/DX2 analytically  !
 ! D270  D(49,50,51,67)        178.2291         calculate D2E/DX2 analytically  !
 ! D271  D(64,50,51,41)       -179.226          calculate D2E/DX2 analytically  !
 ! D272  D(64,50,51,67)         -1.1302         calculate D2E/DX2 analytically  !
 ! D273  D(49,50,64,65)       -178.8015         calculate D2E/DX2 analytically  !
 ! D274  D(49,50,64,110)         0.8849         calculate D2E/DX2 analytically  !
 ! D275  D(51,50,64,65)          0.3533         calculate D2E/DX2 analytically  !
 ! D276  D(51,50,64,110)      -179.9603         calculate D2E/DX2 analytically  !
 ! D277  D(41,51,67,66)        178.7473         calculate D2E/DX2 analytically  !
 ! D278  D(41,51,67,113)        -0.7902         calculate D2E/DX2 analytically  !
 ! D279  D(50,51,67,66)          1.0826         calculate D2E/DX2 analytically  !
 ! D280  D(50,51,67,113)      -178.4549         calculate D2E/DX2 analytically  !
 ! D281  D(43,52,53,54)         -0.1415         calculate D2E/DX2 analytically  !
 ! D282  D(43,52,53,79)        179.1783         calculate D2E/DX2 analytically  !
 ! D283  D(76,52,53,54)       -178.1282         calculate D2E/DX2 analytically  !
 ! D284  D(76,52,53,79)          1.1916         calculate D2E/DX2 analytically  !
 ! D285  D(43,52,76,77)       -178.6797         calculate D2E/DX2 analytically  !
 ! D286  D(43,52,76,122)         0.8132         calculate D2E/DX2 analytically  !
 ! D287  D(53,52,76,77)         -1.1498         calculate D2E/DX2 analytically  !
 ! D288  D(53,52,76,122)       178.343          calculate D2E/DX2 analytically  !
 ! D289  D(52,53,54,55)          0.1687         calculate D2E/DX2 analytically  !
 ! D290  D(52,53,54,72)       -179.0331         calculate D2E/DX2 analytically  !
 ! D291  D(79,53,54,55)       -179.0159         calculate D2E/DX2 analytically  !
 ! D292  D(79,53,54,72)          1.7823         calculate D2E/DX2 analytically  !
 ! D293  D(52,53,79,78)         -0.3637         calculate D2E/DX2 analytically  !
 ! D294  D(52,53,79,125)       179.968          calculate D2E/DX2 analytically  !
 ! D295  D(54,53,79,78)        178.7394         calculate D2E/DX2 analytically  !
 ! D296  D(54,53,79,125)        -0.9288         calculate D2E/DX2 analytically  !
 ! D297  D(53,54,55,43)         -0.1352         calculate D2E/DX2 analytically  !
 ! D298  D(53,54,55,75)       -178.1411         calculate D2E/DX2 analytically  !
 ! D299  D(72,54,55,43)        179.1988         calculate D2E/DX2 analytically  !
 ! D300  D(72,54,55,75)          1.1929         calculate D2E/DX2 analytically  !
 ! D301  D(53,54,72,73)        178.7579         calculate D2E/DX2 analytically  !
 ! D302  D(53,54,72,118)        -0.9229         calculate D2E/DX2 analytically  !
 ! D303  D(55,54,72,73)         -0.3642         calculate D2E/DX2 analytically  !
 ! D304  D(55,54,72,118)       179.955          calculate D2E/DX2 analytically  !
 ! D305  D(43,55,75,74)       -178.7053         calculate D2E/DX2 analytically  !
 ! D306  D(43,55,75,121)         0.8133         calculate D2E/DX2 analytically  !
 ! D307  D(54,55,75,74)         -1.152          calculate D2E/DX2 analytically  !
 ! D308  D(54,55,75,121)       178.3666         calculate D2E/DX2 analytically  !
 ! D309  D(46,56,57,58)          0.439          calculate D2E/DX2 analytically  !
 ! D310  D(46,56,57,103)      -179.9254         calculate D2E/DX2 analytically  !
 ! D311  D(102,56,57,58)      -179.2256         calculate D2E/DX2 analytically  !
 ! D312  D(102,56,57,103)        0.41           calculate D2E/DX2 analytically  !
 ! D313  D(56,57,58,59)         -0.4796         calculate D2E/DX2 analytically  !
 ! D314  D(56,57,58,104)       179.2834         calculate D2E/DX2 analytically  !
 ! D315  D(103,57,58,59)       179.8839         calculate D2E/DX2 analytically  !
 ! D316  D(103,57,58,104)       -0.3532         calculate D2E/DX2 analytically  !
 ! D317  D(57,58,59,47)         -0.3021         calculate D2E/DX2 analytically  !
 ! D318  D(57,58,59,105)       179.1991         calculate D2E/DX2 analytically  !
 ! D319  D(104,58,59,47)       179.934          calculate D2E/DX2 analytically  !
 ! D320  D(104,58,59,105)       -0.5648         calculate D2E/DX2 analytically  !
 ! D321  D(44,60,61,62)         -0.3157         calculate D2E/DX2 analytically  !
 ! D322  D(44,60,61,107)       179.8812         calculate D2E/DX2 analytically  !
 ! D323  D(106,60,61,62)       179.2287         calculate D2E/DX2 analytically  !
 ! D324  D(106,60,61,107)       -0.5744         calculate D2E/DX2 analytically  !
 ! D325  D(60,61,62,63)         -0.4695         calculate D2E/DX2 analytically  !
 ! D326  D(60,61,62,108)       179.8644         calculate D2E/DX2 analytically  !
 ! D327  D(107,61,62,63)       179.3327         calculate D2E/DX2 analytically  !
 ! D328  D(107,61,62,108)       -0.3334         calculate D2E/DX2 analytically  !
 ! D329  D(61,62,63,45)          0.4407         calculate D2E/DX2 analytically  !
 ! D330  D(61,62,63,109)      -179.2477         calculate D2E/DX2 analytically  !
 ! D331  D(108,62,63,45)      -179.8941         calculate D2E/DX2 analytically  !
 ! D332  D(108,62,63,109)        0.4175         calculate D2E/DX2 analytically  !
 ! D333  D(50,64,65,66)          0.4188         calculate D2E/DX2 analytically  !
 ! D334  D(50,64,65,111)      -179.9141         calculate D2E/DX2 analytically  !
 ! D335  D(110,64,65,66)      -179.267          calculate D2E/DX2 analytically  !
 ! D336  D(110,64,65,111)        0.4001         calculate D2E/DX2 analytically  !
 ! D337  D(64,65,66,67)         -0.4575         calculate D2E/DX2 analytically  !
 ! D338  D(64,65,66,112)       179.3363         calculate D2E/DX2 analytically  !
 ! D339  D(111,65,66,67)       179.8745         calculate D2E/DX2 analytically  !
 ! D340  D(111,65,66,112)       -0.3317         calculate D2E/DX2 analytically  !
 ! D341  D(65,66,67,51)         -0.2927         calculate D2E/DX2 analytically  !
 ! D342  D(65,66,67,113)       179.2473         calculate D2E/DX2 analytically  !
 ! D343  D(112,66,67,51)       179.9128         calculate D2E/DX2 analytically  !
 ! D344  D(112,66,67,113)       -0.5473         calculate D2E/DX2 analytically  !
 ! D345  D(48,68,69,70)         -0.2862         calculate D2E/DX2 analytically  !
 ! D346  D(48,68,69,115)       179.9307         calculate D2E/DX2 analytically  !
 ! D347  D(114,68,69,70)       179.2482         calculate D2E/DX2 analytically  !
 ! D348  D(114,68,69,115)       -0.5349         calculate D2E/DX2 analytically  !
 ! D349  D(68,69,70,71)         -0.459          calculate D2E/DX2 analytically  !
 ! D350  D(68,69,70,116)       179.8782         calculate D2E/DX2 analytically  !
 ! D351  D(115,69,70,71)       179.3233         calculate D2E/DX2 analytically  !
 ! D352  D(115,69,70,116)       -0.3395         calculate D2E/DX2 analytically  !
 ! D353  D(69,70,71,49)          0.4147         calculate D2E/DX2 analytically  !
 ! D354  D(69,70,71,117)      -179.2645         calculate D2E/DX2 analytically  !
 ! D355  D(116,70,71,49)      -179.9234         calculate D2E/DX2 analytically  !
 ! D356  D(116,70,71,117)        0.3974         calculate D2E/DX2 analytically  !
 ! D357  D(54,72,73,74)         -0.4502         calculate D2E/DX2 analytically  !
 ! D358  D(54,72,73,119)       179.8973         calculate D2E/DX2 analytically  !
 ! D359  D(118,72,73,74)       179.23           calculate D2E/DX2 analytically  !
 ! D360  D(118,72,73,119)       -0.4225         calculate D2E/DX2 analytically  !
 ! D361  D(72,73,74,75)          0.4814         calculate D2E/DX2 analytically  !
 ! D362  D(72,73,74,120)      -179.3124         calculate D2E/DX2 analytically  !
 ! D363  D(119,73,74,75)      -179.8652         calculate D2E/DX2 analytically  !
 ! D364  D(119,73,74,120)        0.341          calculate D2E/DX2 analytically  !
 ! D365  D(73,74,75,55)          0.319          calculate D2E/DX2 analytically  !
 ! D366  D(73,74,75,121)      -179.2026         calculate D2E/DX2 analytically  !
 ! D367  D(120,74,75,55)      -179.8863         calculate D2E/DX2 analytically  !
 ! D368  D(120,74,75,121)        0.5921         calculate D2E/DX2 analytically  !
 ! D369  D(52,76,77,78)          0.3168         calculate D2E/DX2 analytically  !
 ! D370  D(52,76,77,123)      -179.9074         calculate D2E/DX2 analytically  !
 ! D371  D(122,76,77,78)      -179.179          calculate D2E/DX2 analytically  !
 ! D372  D(122,76,77,123)        0.5968         calculate D2E/DX2 analytically  !
 ! D373  D(76,77,78,79)          0.483          calculate D2E/DX2 analytically  !
 ! D374  D(76,77,78,124)      -179.8787         calculate D2E/DX2 analytically  !
 ! D375  D(123,77,78,79)      -179.2919         calculate D2E/DX2 analytically  !
 ! D376  D(123,77,78,124)        0.3464         calculate D2E/DX2 analytically  !
 ! D377  D(77,78,79,53)         -0.4508         calculate D2E/DX2 analytically  !
 ! D378  D(77,78,79,125)       179.2168         calculate D2E/DX2 analytically  !
 ! D379  D(124,78,79,53)       179.9117         calculate D2E/DX2 analytically  !
 ! D380  D(124,78,79,125)       -0.4207         calculate D2E/DX2 analytically  !
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 Trust Radius=3.00D-01 FncErr=1.00D-07 GrdErr=1.00D-07 EigMax=2.50D+02 EigMin=1.00D-04
 Number of steps in this run=      2 maximum allowed number of steps=      2.
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C74H46ClN5
 Framework group  C1[X(C74H46ClN5)]
 Deg. of freedom   372
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
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 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
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      1          6           0        1.256303    2.444096   -0.054612
      2          6           0        1.596558    1.090262   -0.028304
      3          6           0        0.629822    0.068310   -0.002349
      4          6           0       -0.733284    0.444673   -0.011893
      5          6           0       -1.082753    1.807710   -0.041950
      6          6           0       -0.111876    2.789419   -0.061412
      7          6           0        0.992561   -1.358925    0.021232
      8          6           0       -0.016909   -2.366559    0.043228
      9          6           0       -1.413749   -1.970388    0.041257
     10          6           0       -1.779079   -0.573382    0.009339
     11          6           0        2.334686   -1.768581    0.033075
     12          6           0        2.715624   -3.113060    0.056426
     13          6           0        1.699277   -4.088326    0.072274
     14          6           0        0.366811   -3.725843    0.067090
     15          7           0       -2.416530   -2.866178    0.069972
     16          6           0       -3.728719   -2.491483    0.062219
     17          6           0       -4.030161   -1.097891    0.018397
     18          7           0       -3.043236   -0.175500   -0.002019
     19          6           0       -4.774825   -3.444443    0.093577
     20          6           0       -6.074394   -2.997611    0.080305
     21          6           0       -6.411800   -1.607562    0.038124
     22          6           0       -5.383334   -0.681429    0.009753
     23          6           0        2.305795    3.491035   -0.077479
     24          6           0        4.145450   -3.498449    0.067760
     25          6           0       -7.830928   -1.183088    0.022958
     26          6           0        4.584075   -4.622145    0.789650
     27          6           0        5.926753   -4.983244    0.816468
     28          6           0        6.872708   -4.239288    0.098138
     29          6           0        6.448256   -3.124222   -0.637369
     30          6           0        5.106816   -2.757553   -0.641358
     31          6           0        2.136535    4.668643   -0.825552
     32          6           0        3.122402    5.649332   -0.861881
     33          6           0        4.305366    5.488359   -0.128280
     34          6           0        4.483295    4.325010    0.632384
     35          6           0        3.500514    3.340704    0.647221
     36          6           0       -8.809417   -1.893949    0.738966
     37          6           0      -10.139258   -1.486501    0.741828
     38          6           0      -10.535164   -0.362407    0.004558
     39          6           0       -9.572050    0.348678   -0.724953
     40          6           0       -8.241311   -0.053345   -0.705734
     41          7           0        5.307493    6.488941   -0.153947
     42          7           0        8.238945   -4.610319    0.112742
     43          7           0      -11.889522    0.048147   -0.006129
     44          6           0        8.747031   -5.885562   -0.176089
     45          6           0       10.159018   -5.855518   -0.055156
     46          6           0       10.521134   -4.506115    0.326067
     47          6           0        9.315643   -3.765779    0.418695
     48          6           0        6.661676    6.286631   -0.455975
     49          6           0        7.340388    7.528846   -0.378373
     50          6           0        6.355556    8.524989   -0.010764
     51          6           0        5.114930    7.851080    0.117429
     52          6           0      -12.357668    1.340881    0.271666
     53          6           0      -13.770614    1.351803    0.158228
     54          6           0      -14.175047    0.009916   -0.206831
     55          6           0      -12.993256   -0.767375   -0.297773
     56          6           0       11.740207   -3.878278    0.605331
     57          6           0       11.743023   -2.537169    0.976993
     58          6           0       10.538011   -1.822531    1.080392
     59          6           0        9.310890   -2.423400    0.807354
     60          6           0        8.071643   -7.043267   -0.571715
     61          6           0        8.832053   -8.183395   -0.822739
     62          6           0       10.230783   -8.175389   -0.691366
     63          6           0       10.899093   -7.015015   -0.312993
     64          6           0        6.421197    9.902149    0.229454
     65          6           0        5.264207   10.582042    0.597677
     66          6           0        4.046086    9.895881    0.735964
     67          6           0        3.953029    8.525503    0.502233
     68          6           0        7.324242    5.113732   -0.827788
     69          6           0        8.688049    5.197798   -1.100229
     70          6           0        9.379187    6.417765   -1.012249
     71          6           0        8.710767    7.585353   -0.656627
     72          6           0      -15.414195   -0.583436   -0.473114
     73          6           0      -15.459281   -1.927573   -0.830411
     74          6           0      -14.276925   -2.679297   -0.932580
     75          6           0      -13.030688   -2.113129   -0.672479
     76          6           0      -11.646402    2.481928    0.652491
     77          6           0      -12.371111    3.646843    0.895841
     78          6           0      -13.769969    3.679221    0.771292
     79          6           0      -14.474326    2.535326    0.407975
     80          1           0       -2.267874   -3.974368    0.113949
     81          1           0        2.647932    0.835372   -0.058976
     82          1           0       -2.134511    2.067001   -0.038745
     83          1           0       -0.403261    3.834657   -0.054876
     84          1           0        3.118609   -1.023099    0.056076
     85          1           0        1.955764   -5.142228    0.061565
     86          1           0       -0.382013   -4.514092    0.074696
     87          1           0       -4.520702   -4.500032    0.117116
     88          1           0       -6.875805   -3.728961    0.075477
     89          1           0       -5.574962    0.385590    0.008261
     90          1           0        3.871623   -5.197275    1.372387
     91          1           0        6.252576   -5.830257    1.410329
     92          1           0        7.169915   -2.565246   -1.223146
     93          1           0        4.794164   -1.910127   -1.243597
     94          1           0        1.239196    4.800648   -1.422044
     95          1           0        2.991224    6.534191   -1.475309
     96          1           0        5.382274    4.209507    1.228205
     97          1           0        3.643905    2.461349    1.267544
     98          1           0       -8.522089   -2.751851    1.338699
     99          1           0      -10.873476   -2.023931    1.331953
    100          1           0       -9.877357    1.199324   -1.324480
    101          1           0       -7.516177    0.492541   -1.301147
    102          1           0       12.671246   -4.433613    0.537723
    103          1           0       12.682408   -2.038721    1.194968
    104          1           0       10.559400   -0.779797    1.383175
    105          1           0        8.385380   -1.866800    0.902536
    106          1           0        6.993895   -7.057215   -0.688202
    107          1           0        8.329123   -9.095593   -1.129570
    108          1           0       10.793181   -9.081822   -0.892497
    109          1           0       11.981555   -7.006244   -0.223407
    110          1           0        7.365018   10.431247    0.134278
    111          1           0        5.301874   11.650555    0.785377
    112          1           0        3.156129   10.441861    1.034661
    113          1           0        3.010832    8.002960    0.623429
    114          1           0        6.797248    4.169814   -0.910197
    115          1           0        9.224813    4.299324   -1.390045
    116          1           0       10.442355    6.448382   -1.229250
    117          1           0        9.243436    8.530286   -0.600406
    118          1           0      -16.327662    0.000435   -0.406407
    119          1           0      -16.414369   -2.399921   -1.037848
    120          1           0      -14.331161   -3.724076   -1.223620
    121          1           0      -12.123525   -2.699181   -0.766850
    122          1           0      -10.568186    2.464361    0.764338
    123          1           0      -11.839841    4.546629    1.191580
    124          1           0      -14.304334    4.603786    0.966242
    125          1           0      -15.557029    2.557793    0.324173
    126         17           0       -2.347326   -5.787699    0.197644
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 Rotational constants (GHZ):           0.0230095           0.0074953           0.0056912
 Standard basis: 6-31G(d,p) (6D, 7F)
 There are  1434 symmetry adapted cartesian basis functions of A   symmetry.
 There are  1434 symmetry adapted basis functions of A   symmetry.
  1434 basis functions,  2586 primitive gaussians,  1434 cartesian basis functions
   271 alpha electrons      271 beta electrons
       nuclear repulsion energy     10549.6979774126 Hartrees.
 NAtoms=  126 NActive=  126 NUniq=  126 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=T Big=T
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 One-electron integrals computed using PRISM.
 NBasis=  1434 RedAO= T EigKep=  1.50D-04  NBF=  1434
 NBsUse=  1434 1.00D-06 EigRej= -1.00D+00 NBFU=  1434
 Initial guess from the checkpoint file:  "ph.chk"
 B after Tr=     0.000000   -0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 SCF Done:  E(RB3LYP) =  -3581.78142299     A.U. after    1 cycles
            NFock=  1  Conv=0.33D-08     -V/T= 2.0089
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1  1434
 NBasis=  1434 NAE=   271 NBE=   271 NFC=     0 NFV=     0
 NROrb=   1434 NOA=   271 NOB=   271 NVA=  1163 NVB=  1163

 **** Warning!!: The largest alpha MO coefficient is  0.10700377D+02


 **** Warning!!: The smallest alpha delta epsilon is  0.77138101D-01

 Symmetrizing basis deriv contribution to polar:
 IMax=3 JMax=2 DiffMx= 0.00D+00
 G2DrvN: will do   127 centers at a time, making    1 passes.
 Calling FoFCou, ICntrl=  3107 FMM=T I1Cent=   0 AccDes= 0.00D+00.
 End of G2Drv F.D. properties file   721 does not exist.
 End of G2Drv F.D. properties file   722 does not exist.
 End of G2Drv F.D. properties file   788 does not exist.
          IDoAtm=11111111111111111111111111111111111111111111111111
          IDoAtm=11111111111111111111111111111111111111111111111111
          IDoAtm=11111111111111111111111111
          Differentiating once with respect to electric field.
                with respect to dipole field.
          Differentiating once with respect to nuclear coordinates.
 CalDSu exits because no D1Ps are significant.
          There are   381 degrees of freedom in the 1st order CPHF.  IDoFFX=6 NUNeed=     3.
    378 vectors produced by pass  0 Test12= 3.15D-13 1.00D-09 XBig12= 3.00D+03 2.49D+01.
 AX will form    96 AO Fock derivatives at one time.
    378 vectors produced by pass  1 Test12= 3.15D-13 1.00D-09 XBig12= 5.01D+02 3.55D+00.
    378 vectors produced by pass  2 Test12= 3.15D-13 1.00D-09 XBig12= 3.80D+00 1.94D-01.
    378 vectors produced by pass  3 Test12= 3.15D-13 1.00D-09 XBig12= 1.68D-02 1.09D-02.
    378 vectors produced by pass  4 Test12= 3.15D-13 1.00D-09 XBig12= 3.63D-05 4.58D-04.
    328 vectors produced by pass  5 Test12= 3.15D-13 1.00D-09 XBig12= 4.09D-08 1.59D-05.
     99 vectors produced by pass  6 Test12= 3.15D-13 1.00D-09 XBig12= 4.20D-11 2.99D-07.
      8 vectors produced by pass  7 Test12= 3.15D-13 1.00D-09 XBig12= 4.52D-14 8.12D-09.
      2 vectors produced by pass  8 Test12= 3.15D-13 1.00D-09 XBig12= 2.55D-15 1.22D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 3.20D-14
 Solved reduced A of dimension  2327 with   381 vectors.
 Isotropic polarizability for W=    0.000000     1100.70 Bohr**3.
 End of Minotr F.D. properties file   721 does not exist.
 End of Minotr F.D. properties file   722 does not exist.
 End of Minotr F.D. properties file   788 does not exist.
 Hyperfine terms turned off by default for NAtoms > 100.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
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                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues -- -101.41373 -14.42854 -14.39147 -14.39139 -14.38932
 Alpha  occ. eigenvalues --  -14.37718 -10.29210 -10.27501 -10.27454 -10.26430
 Alpha  occ. eigenvalues --  -10.25348 -10.25275 -10.25063 -10.23549 -10.23542
 Alpha  occ. eigenvalues --  -10.23308 -10.23205 -10.23150 -10.23143 -10.23123
 Alpha  occ. eigenvalues --  -10.23093 -10.22950 -10.22884 -10.22798 -10.22717
 Alpha  occ. eigenvalues --  -10.22653 -10.22504 -10.22368 -10.22236 -10.22029
 Alpha  occ. eigenvalues --  -10.21961 -10.21633 -10.21579 -10.21557 -10.21555
 Alpha  occ. eigenvalues --  -10.21491 -10.21473 -10.21418 -10.21365 -10.21349
 Alpha  occ. eigenvalues --  -10.21325 -10.21317 -10.21305 -10.21300 -10.21290
 Alpha  occ. eigenvalues --  -10.21154 -10.21071 -10.20984 -10.20721 -10.20539
 Alpha  occ. eigenvalues --  -10.19526 -10.19507 -10.19491 -10.19467 -10.19443
 Alpha  occ. eigenvalues --  -10.19427 -10.19424 -10.19404 -10.19390 -10.19388
 Alpha  occ. eigenvalues --  -10.19370 -10.19361 -10.19357 -10.19347 -10.19330
 Alpha  occ. eigenvalues --  -10.19325 -10.19262 -10.19257 -10.19213 -10.19201
 Alpha  occ. eigenvalues --  -10.19194 -10.19189 -10.19135 -10.19048 -10.18759
 Alpha  occ. eigenvalues --  -10.18753 -10.18730 -10.18672 -10.18585 -10.18477
 Alpha  occ. eigenvalues --   -9.33010  -7.08897  -7.08716  -7.08668  -1.03413
 Alpha  occ. eigenvalues --   -0.99786  -0.99768  -0.99559  -0.96242  -0.91183
 Alpha  occ. eigenvalues --   -0.89381  -0.89058  -0.88435  -0.87579  -0.87190
 Alpha  occ. eigenvalues --   -0.85414  -0.84972  -0.84921  -0.84867  -0.84770
 Alpha  occ. eigenvalues --   -0.84679  -0.82974  -0.81098  -0.80602  -0.79565
 Alpha  occ. eigenvalues --   -0.79209  -0.78710  -0.77770  -0.77528  -0.77198
 Alpha  occ. eigenvalues --   -0.77090  -0.76924  -0.76312  -0.75436  -0.75358
 Alpha  occ. eigenvalues --   -0.75285  -0.75170  -0.74983  -0.74715  -0.73144
 Alpha  occ. eigenvalues --   -0.72360  -0.72095  -0.72039  -0.71861  -0.71765
 Alpha  occ. eigenvalues --   -0.70869  -0.68929  -0.68478  -0.66589  -0.65831
 Alpha  occ. eigenvalues --   -0.65769  -0.65155  -0.64442  -0.63940  -0.63789
 Alpha  occ. eigenvalues --   -0.63187  -0.63024  -0.62744  -0.62069  -0.61597
 Alpha  occ. eigenvalues --   -0.60964  -0.60569  -0.60529  -0.60268  -0.59534
 Alpha  occ. eigenvalues --   -0.58744  -0.58583  -0.58164  -0.57949  -0.57904
 Alpha  occ. eigenvalues --   -0.57768  -0.57627  -0.57069  -0.55542  -0.54738
 Alpha  occ. eigenvalues --   -0.54437  -0.54378  -0.53386  -0.52181  -0.52110
 Alpha  occ. eigenvalues --   -0.52040  -0.51899  -0.51627  -0.50976  -0.50753
 Alpha  occ. eigenvalues --   -0.50470  -0.49721  -0.49638  -0.48992  -0.48797
 Alpha  occ. eigenvalues --   -0.48690  -0.48319  -0.47490  -0.47158  -0.47033
 Alpha  occ. eigenvalues --   -0.46825  -0.46778  -0.46418  -0.46091  -0.45865
 Alpha  occ. eigenvalues --   -0.45820  -0.45710  -0.45617  -0.45561  -0.45535
 Alpha  occ. eigenvalues --   -0.45121  -0.44850  -0.44357  -0.44342  -0.44239
 Alpha  occ. eigenvalues --   -0.44103  -0.44084  -0.44047  -0.43880  -0.43837
 Alpha  occ. eigenvalues --   -0.43715  -0.43479  -0.42688  -0.42678  -0.42583
 Alpha  occ. eigenvalues --   -0.42503  -0.42398  -0.42360  -0.42244  -0.42145
 Alpha  occ. eigenvalues --   -0.41948  -0.41853  -0.41614  -0.41148  -0.40588
 Alpha  occ. eigenvalues --   -0.40370  -0.39497  -0.39268  -0.39039  -0.38746
 Alpha  occ. eigenvalues --   -0.38685  -0.38165  -0.37937  -0.37477  -0.37349
 Alpha  occ. eigenvalues --   -0.37125  -0.37015  -0.36955  -0.36775  -0.36678
 Alpha  occ. eigenvalues --   -0.36632  -0.36503  -0.36449  -0.36328  -0.35746
 Alpha  occ. eigenvalues --   -0.35736  -0.35669  -0.35503  -0.35307  -0.34466
 Alpha  occ. eigenvalues --   -0.34417  -0.34242  -0.34023  -0.33974  -0.33788
 Alpha  occ. eigenvalues --   -0.33484  -0.33194  -0.33006  -0.31794  -0.30745
 Alpha  occ. eigenvalues --   -0.30028  -0.29876  -0.28652  -0.28445  -0.28273
 Alpha  occ. eigenvalues --   -0.28031  -0.27605  -0.27579  -0.27413  -0.27299
 Alpha  occ. eigenvalues --   -0.25963  -0.25692  -0.25637  -0.25459  -0.25395
 Alpha  occ. eigenvalues --   -0.24282  -0.23990  -0.22964  -0.21859  -0.21803
 Alpha  occ. eigenvalues --   -0.21626  -0.21618  -0.21357  -0.20458  -0.20434
 Alpha  occ. eigenvalues --   -0.20202
 Alpha virt. eigenvalues --   -0.12488  -0.08059  -0.05715  -0.05000  -0.04471
 Alpha virt. eigenvalues --   -0.03286  -0.03226  -0.03053  -0.02868  -0.02755
 Alpha virt. eigenvalues --   -0.02579  -0.02450  -0.01239   0.00054   0.00096
 Alpha virt. eigenvalues --    0.00113   0.00285   0.00641   0.01786   0.02727
 Alpha virt. eigenvalues --    0.03029   0.03363   0.03739   0.03792   0.03972
 Alpha virt. eigenvalues --    0.07030   0.07577   0.08433   0.08662   0.09306
 Alpha virt. eigenvalues --    0.09753   0.09786   0.10022   0.10053   0.10117
 Alpha virt. eigenvalues --    0.10209   0.10312   0.10507   0.10886   0.11177
 Alpha virt. eigenvalues --    0.11778   0.12006   0.12565   0.12644   0.12792
 Alpha virt. eigenvalues --    0.12812   0.13044   0.14080   0.14399   0.14548
 Alpha virt. eigenvalues --    0.14826   0.14989   0.15198   0.15232   0.15353
 Alpha virt. eigenvalues --    0.15418   0.15441   0.15550   0.15603   0.15722
 Alpha virt. eigenvalues --    0.15865   0.16006   0.16218   0.16340   0.17009
 Alpha virt. eigenvalues --    0.17398   0.17739   0.17794   0.17882   0.17989
 Alpha virt. eigenvalues --    0.17994   0.18180   0.18523   0.18901   0.19198
 Alpha virt. eigenvalues --    0.19253   0.19388   0.19421   0.19510   0.19623
 Alpha virt. eigenvalues --    0.19831   0.20009   0.20295   0.20415   0.20461
 Alpha virt. eigenvalues --    0.20754   0.20826   0.21046   0.21535   0.21709
 Alpha virt. eigenvalues --    0.21743   0.22022   0.22697   0.23580   0.24043
 Alpha virt. eigenvalues --    0.24672   0.24908   0.24962   0.25044   0.25065
 Alpha virt. eigenvalues --    0.25266   0.25483   0.25754   0.25817   0.25981
 Alpha virt. eigenvalues --    0.26342   0.26803   0.26843   0.27057   0.27379
 Alpha virt. eigenvalues --    0.27882   0.28436   0.28553   0.28977   0.29037
 Alpha virt. eigenvalues --    0.29190   0.29581   0.30172   0.30385   0.30715
 Alpha virt. eigenvalues --    0.30785   0.30899   0.31233   0.31819   0.32010
 Alpha virt. eigenvalues --    0.32566   0.32675   0.33000   0.33498   0.33694
 Alpha virt. eigenvalues --    0.33948   0.34342   0.34918   0.35027   0.35217
 Alpha virt. eigenvalues --    0.35284   0.35492   0.36340   0.36546   0.36929
 Alpha virt. eigenvalues --    0.37501   0.38290   0.38396   0.38437   0.38514
 Alpha virt. eigenvalues --    0.38620   0.38713   0.40110   0.40401   0.41197
 Alpha virt. eigenvalues --    0.41313   0.41440   0.42137   0.42933   0.44367
 Alpha virt. eigenvalues --    0.44696   0.45525   0.45615   0.45761   0.45935
 Alpha virt. eigenvalues --    0.46117   0.47019   0.47527   0.47931   0.48477
 Alpha virt. eigenvalues --    0.48833   0.49049   0.49101   0.49267   0.49461
 Alpha virt. eigenvalues --    0.49622   0.49921   0.49951   0.50452   0.50710
 Alpha virt. eigenvalues --    0.51068   0.51215   0.51324   0.51487   0.51518
 Alpha virt. eigenvalues --    0.51628   0.51936   0.51988   0.52160   0.52271
 Alpha virt. eigenvalues --    0.52471   0.52595   0.52755   0.52808   0.52884
 Alpha virt. eigenvalues --    0.52932   0.53102   0.53218   0.53439   0.53490
 Alpha virt. eigenvalues --    0.53668   0.53798   0.53980   0.54038   0.54104
 Alpha virt. eigenvalues --    0.54216   0.54489   0.54543   0.54697   0.55016
 Alpha virt. eigenvalues --    0.55081   0.55241   0.55333   0.55468   0.55547
 Alpha virt. eigenvalues --    0.55733   0.55947   0.56027   0.56031   0.56136
 Alpha virt. eigenvalues --    0.56231   0.56365   0.56633   0.56744   0.56844
 Alpha virt. eigenvalues --    0.56919   0.57067   0.57246   0.57303   0.57356
 Alpha virt. eigenvalues --    0.57504   0.57525   0.57609   0.57727   0.57922
 Alpha virt. eigenvalues --    0.57963   0.58055   0.58221   0.58346   0.58434
 Alpha virt. eigenvalues --    0.58647   0.58872   0.58893   0.59027   0.59164
 Alpha virt. eigenvalues --    0.59245   0.59375   0.59571   0.59676   0.59750
 Alpha virt. eigenvalues --    0.60059   0.60504   0.60649   0.60674   0.60868
 Alpha virt. eigenvalues --    0.60979   0.61000   0.61041   0.61049   0.61083
 Alpha virt. eigenvalues --    0.61166   0.61201   0.61218   0.61332   0.61563
 Alpha virt. eigenvalues --    0.61686   0.61754   0.61909   0.62084   0.62194
 Alpha virt. eigenvalues --    0.62638   0.62677   0.62869   0.63068   0.63215
 Alpha virt. eigenvalues --    0.63418   0.63439   0.63535   0.63560   0.63703
 Alpha virt. eigenvalues --    0.63731   0.63778   0.63882   0.63976   0.64159
 Alpha virt. eigenvalues --    0.64295   0.64344   0.64461   0.64549   0.64822
 Alpha virt. eigenvalues --    0.64908   0.65249   0.65544   0.66144   0.67528
 Alpha virt. eigenvalues --    0.68335   0.68388   0.68823   0.68908   0.69044
 Alpha virt. eigenvalues --    0.69332   0.69543   0.70010   0.70225   0.70303
 Alpha virt. eigenvalues --    0.70521   0.71270   0.71751   0.72798   0.73610
 Alpha virt. eigenvalues --    0.73773   0.73830   0.74016   0.74515   0.75709
 Alpha virt. eigenvalues --    0.76170   0.76393   0.76537   0.76806   0.77128
 Alpha virt. eigenvalues --    0.77231   0.77495   0.77842   0.77959   0.78184
 Alpha virt. eigenvalues --    0.78548   0.78608   0.78998   0.79047   0.79085
 Alpha virt. eigenvalues --    0.79146   0.79244   0.79361   0.79572   0.79641
 Alpha virt. eigenvalues --    0.80187   0.80673   0.80763   0.80974   0.81151
 Alpha virt. eigenvalues --    0.81324   0.81588   0.81647   0.81731   0.81829
 Alpha virt. eigenvalues --    0.81956   0.82088   0.82176   0.82517   0.82619
 Alpha virt. eigenvalues --    0.82902   0.83149   0.83324   0.83421   0.83523
 Alpha virt. eigenvalues --    0.83628   0.83750   0.83827   0.83990   0.84051
 Alpha virt. eigenvalues --    0.84209   0.84535   0.84625   0.84742   0.85115
 Alpha virt. eigenvalues --    0.85385   0.85708   0.86418   0.86564   0.86686
 Alpha virt. eigenvalues --    0.86773   0.87216   0.87567   0.87786   0.88111
 Alpha virt. eigenvalues --    0.88121   0.88240   0.88426   0.89238   0.89554
 Alpha virt. eigenvalues --    0.89614   0.89680   0.89815   0.89880   0.90080
 Alpha virt. eigenvalues --    0.90579   0.90940   0.91225   0.91295   0.91384
 Alpha virt. eigenvalues --    0.91859   0.92555   0.92727   0.92901   0.93648
 Alpha virt. eigenvalues --    0.93861   0.94048   0.94368   0.94499   0.95179
 Alpha virt. eigenvalues --    0.95581   0.95692   0.95942   0.96370   0.97047
 Alpha virt. eigenvalues --    0.97165   0.97347   0.97520   0.98141   0.98326
 Alpha virt. eigenvalues --    0.98352   0.98490   0.98575   0.98626   0.98782
 Alpha virt. eigenvalues --    0.98850   0.98905   0.99152   0.99171   0.99227
 Alpha virt. eigenvalues --    0.99450   0.99762   1.00133   1.00221   1.00443
 Alpha virt. eigenvalues --    1.00625   1.00796   1.00980   1.01706   1.02002
 Alpha virt. eigenvalues --    1.02770   1.03293   1.04554   1.05310   1.05491
 Alpha virt. eigenvalues --    1.05603   1.05875   1.06114   1.06186   1.06353
 Alpha virt. eigenvalues --    1.06575   1.06745   1.07141   1.07808   1.08325
 Alpha virt. eigenvalues --    1.09233   1.09828   1.10356   1.10980   1.11091
 Alpha virt. eigenvalues --    1.11535   1.11591   1.11977   1.12154   1.13013
 Alpha virt. eigenvalues --    1.13150   1.13700   1.13942   1.14072   1.14077
 Alpha virt. eigenvalues --    1.14128   1.14253   1.14486   1.14617   1.14994
 Alpha virt. eigenvalues --    1.15137   1.15594   1.15827   1.16048   1.17707
 Alpha virt. eigenvalues --    1.17937   1.18207   1.18403   1.18503   1.18629
 Alpha virt. eigenvalues --    1.18922   1.19195   1.19529   1.19833   1.20177
 Alpha virt. eigenvalues --    1.20196   1.20269   1.20420   1.20902   1.21274
 Alpha virt. eigenvalues --    1.21721   1.22322   1.23521   1.23676   1.23795
 Alpha virt. eigenvalues --    1.24295   1.24786   1.24941   1.25363   1.25473
 Alpha virt. eigenvalues --    1.25807   1.25926   1.26410   1.27196   1.27273
 Alpha virt. eigenvalues --    1.27523   1.27665   1.28315   1.28666   1.29708
 Alpha virt. eigenvalues --    1.30050   1.30094   1.30160   1.31006   1.31061
 Alpha virt. eigenvalues --    1.31393   1.31987   1.32174   1.32296   1.32549
 Alpha virt. eigenvalues --    1.32761   1.33353   1.34096   1.34848   1.35539
 Alpha virt. eigenvalues --    1.36048   1.36067   1.36205   1.36243   1.36408
 Alpha virt. eigenvalues --    1.36421   1.36554   1.36665   1.36707   1.36795
 Alpha virt. eigenvalues --    1.36934   1.37101   1.37374   1.37620   1.37704
 Alpha virt. eigenvalues --    1.37833   1.37997   1.38107   1.38194   1.38446
 Alpha virt. eigenvalues --    1.38764   1.38987   1.39058   1.39403   1.39645
 Alpha virt. eigenvalues --    1.40147   1.40507   1.40742   1.40787   1.40835
 Alpha virt. eigenvalues --    1.40856   1.40989   1.41069   1.41084   1.41168
 Alpha virt. eigenvalues --    1.41292   1.41360   1.41645   1.41990   1.42142
 Alpha virt. eigenvalues --    1.42344   1.42520   1.42739   1.42895   1.43046
 Alpha virt. eigenvalues --    1.43262   1.43538   1.43821   1.44055   1.45113
 Alpha virt. eigenvalues --    1.45344   1.45504   1.45842   1.46146   1.46471
 Alpha virt. eigenvalues --    1.46759   1.46822   1.47403   1.49309   1.51003
 Alpha virt. eigenvalues --    1.51802   1.52947   1.56493   1.58043   1.58141
 Alpha virt. eigenvalues --    1.58304   1.59181   1.59457   1.59699   1.60707
 Alpha virt. eigenvalues --    1.60749   1.60840   1.61548   1.62481   1.63528
 Alpha virt. eigenvalues --    1.64000   1.65739   1.67074   1.68147   1.68390
 Alpha virt. eigenvalues --    1.68953   1.70042   1.70091   1.70934   1.71185
 Alpha virt. eigenvalues --    1.71445   1.71732   1.71936   1.72296   1.72536
 Alpha virt. eigenvalues --    1.72710   1.73298   1.73340   1.73620   1.73681
 Alpha virt. eigenvalues --    1.73948   1.74083   1.74400   1.75197   1.75278
 Alpha virt. eigenvalues --    1.75318   1.75518   1.75555   1.75620   1.75836
 Alpha virt. eigenvalues --    1.75943   1.76193   1.76583   1.76960   1.77191
 Alpha virt. eigenvalues --    1.77530   1.78087   1.78266   1.78523   1.78645
 Alpha virt. eigenvalues --    1.78788   1.78987   1.79219   1.79563   1.79765
 Alpha virt. eigenvalues --    1.80188   1.80656   1.81315   1.81622   1.81638
 Alpha virt. eigenvalues --    1.81861   1.82247   1.82589   1.82664   1.82845
 Alpha virt. eigenvalues --    1.83756   1.83909   1.84032   1.84378   1.85675
 Alpha virt. eigenvalues --    1.86754   1.87078   1.87185   1.87367   1.87469
 Alpha virt. eigenvalues --    1.87601   1.88126   1.88229   1.88403   1.88511
 Alpha virt. eigenvalues --    1.88666   1.88818   1.88870   1.88941   1.89197
 Alpha virt. eigenvalues --    1.89360   1.89431   1.89637   1.90061   1.90338
 Alpha virt. eigenvalues --    1.90408   1.90648   1.90763   1.90892   1.91364
 Alpha virt. eigenvalues --    1.91636   1.91722   1.91861   1.91876   1.91946
 Alpha virt. eigenvalues --    1.92095   1.92468   1.92850   1.93531   1.93833
 Alpha virt. eigenvalues --    1.94223   1.94323   1.94531   1.94872   1.95009
 Alpha virt. eigenvalues --    1.95363   1.95415   1.95673   1.95817   1.96068
 Alpha virt. eigenvalues --    1.96142   1.96251   1.96364   1.96478   1.96777
 Alpha virt. eigenvalues --    1.97614   1.97687   1.97800   1.97973   1.98049
 Alpha virt. eigenvalues --    1.98166   1.98600   1.98761   1.99020   1.99112
 Alpha virt. eigenvalues --    1.99229   1.99454   1.99614   1.99846   2.00028
 Alpha virt. eigenvalues --    2.00693   2.00970   2.01428   2.01564   2.01685
 Alpha virt. eigenvalues --    2.01890   2.02344   2.02527   2.03012   2.03178
 Alpha virt. eigenvalues --    2.03434   2.04605   2.04687   2.04700   2.04833
 Alpha virt. eigenvalues --    2.04880   2.07280   2.07672   2.07693   2.07897
 Alpha virt. eigenvalues --    2.10017   2.10109   2.10480   2.10744   2.11642
 Alpha virt. eigenvalues --    2.11671   2.11866   2.12727   2.13108   2.15157
 Alpha virt. eigenvalues --    2.15882   2.16107   2.16202   2.16250   2.16484
 Alpha virt. eigenvalues --    2.16701   2.16735   2.17338   2.17580   2.17818
 Alpha virt. eigenvalues --    2.18395   2.18556   2.19428   2.19602   2.19891
 Alpha virt. eigenvalues --    2.20008   2.20122   2.20186   2.20264   2.20781
 Alpha virt. eigenvalues --    2.21604   2.21889   2.21931   2.22021   2.22138
 Alpha virt. eigenvalues --    2.22771   2.23035   2.24588   2.24670   2.24848
 Alpha virt. eigenvalues --    2.25477   2.25647   2.25779   2.25923   2.26226
 Alpha virt. eigenvalues --    2.26700   2.27596   2.28129   2.28610   2.28806
 Alpha virt. eigenvalues --    2.29095   2.29751   2.29798   2.30069   2.30655
 Alpha virt. eigenvalues --    2.30715   2.30894   2.30955   2.31297   2.31546
 Alpha virt. eigenvalues --    2.31640   2.31847   2.31995   2.32507   2.32646
 Alpha virt. eigenvalues --    2.33293   2.34172   2.34251   2.34407   2.35014
 Alpha virt. eigenvalues --    2.35057   2.35300   2.36103   2.36582   2.36787
 Alpha virt. eigenvalues --    2.36815   2.36869   2.37033   2.37180   2.37219
 Alpha virt. eigenvalues --    2.37401   2.37913   2.38010   2.38314   2.38524
 Alpha virt. eigenvalues --    2.38777   2.38827   2.38979   2.39234   2.39306
 Alpha virt. eigenvalues --    2.39513   2.39590   2.39700   2.39916   2.40195
 Alpha virt. eigenvalues --    2.40334   2.41089   2.41339   2.41554   2.41942
 Alpha virt. eigenvalues --    2.42603   2.42777   2.42876   2.43176   2.43728
 Alpha virt. eigenvalues --    2.43865   2.43976   2.44048   2.44104   2.44163
 Alpha virt. eigenvalues --    2.44299   2.44395   2.44704   2.45062   2.45386
 Alpha virt. eigenvalues --    2.45940   2.46409   2.46776   2.46878   2.47125
 Alpha virt. eigenvalues --    2.47213   2.47295   2.47527   2.47789   2.48394
 Alpha virt. eigenvalues --    2.48608   2.48829   2.48951   2.49032   2.49402
 Alpha virt. eigenvalues --    2.49880   2.50144   2.50163   2.50877   2.50975
 Alpha virt. eigenvalues --    2.51198   2.51348   2.51629   2.52079   2.52265
 Alpha virt. eigenvalues --    2.52294   2.52356   2.52434   2.52451   2.52597
 Alpha virt. eigenvalues --    2.52712   2.52961   2.53071   2.53466   2.54305
 Alpha virt. eigenvalues --    2.54754   2.55020   2.55447   2.55627   2.55894
 Alpha virt. eigenvalues --    2.56236   2.56699   2.56843   2.56993   2.57175
 Alpha virt. eigenvalues --    2.57435   2.57542   2.57678   2.57849   2.58030
 Alpha virt. eigenvalues --    2.58200   2.58442   2.59020   2.59315   2.59497
 Alpha virt. eigenvalues --    2.59614   2.59836   2.59987   2.60573   2.60906
 Alpha virt. eigenvalues --    2.61545   2.62032   2.62190   2.62317   2.62606
 Alpha virt. eigenvalues --    2.62733   2.62887   2.63087   2.63391   2.64131
 Alpha virt. eigenvalues --    2.64691   2.64962   2.65046   2.65335   2.65625
 Alpha virt. eigenvalues --    2.65684   2.65823   2.66385   2.66854   2.68204
 Alpha virt. eigenvalues --    2.68990   2.69053   2.69208   2.69321   2.69735
 Alpha virt. eigenvalues --    2.70526   2.70913   2.71091   2.71469   2.71607
 Alpha virt. eigenvalues --    2.72055   2.72835   2.73435   2.73548   2.73589
 Alpha virt. eigenvalues --    2.74158   2.74369   2.74453   2.75225   2.75555
 Alpha virt. eigenvalues --    2.75966   2.76249   2.76889   2.76955   2.77112
 Alpha virt. eigenvalues --    2.77210   2.77825   2.78572   2.78938   2.79663
 Alpha virt. eigenvalues --    2.80177   2.80952   2.81467   2.81598   2.82902
 Alpha virt. eigenvalues --    2.83017   2.83113   2.83305   2.83412   2.83569
 Alpha virt. eigenvalues --    2.84190   2.84677   2.84826   2.86159   2.88157
 Alpha virt. eigenvalues --    2.88641   2.89549   2.90019   2.90125   2.90244
 Alpha virt. eigenvalues --    2.90633   2.91363   2.91490   2.91595   2.91702
 Alpha virt. eigenvalues --    2.92016   2.93581   2.94512   2.95545   2.95884
 Alpha virt. eigenvalues --    2.95990   2.96059   2.97167   2.98216   3.00696
 Alpha virt. eigenvalues --    3.02922   3.04427   3.04664   3.04912   3.06363
 Alpha virt. eigenvalues --    3.07972   3.09873   3.10394   3.11447   3.12649
 Alpha virt. eigenvalues --    3.12899   3.12970   3.13282   3.14187   3.16196
 Alpha virt. eigenvalues --    3.16899   3.17880   3.18447   3.18694   3.18897
 Alpha virt. eigenvalues --    3.19118   3.19417   3.20404   3.21768   3.21844
 Alpha virt. eigenvalues --    3.22016   3.22911   3.23549   3.23609   3.23891
 Alpha virt. eigenvalues --    3.24035   3.24109   3.24260   3.24524   3.24573
 Alpha virt. eigenvalues --    3.24655   3.24837   3.25516   3.25781   3.26446
 Alpha virt. eigenvalues --    3.28311   3.29336   3.30179   3.30617   3.30699
 Alpha virt. eigenvalues --    3.30866   3.32220   3.32250   3.32406   3.33303
 Alpha virt. eigenvalues --    3.34079   3.35369   3.36618   3.36965   3.37341
 Alpha virt. eigenvalues --    3.37388   3.37391   3.37659   3.38265   3.44052
 Alpha virt. eigenvalues --    3.44207   3.44323   3.44651   3.44989   3.46333
 Alpha virt. eigenvalues --    3.46417   3.46575   3.47670   3.48940   3.49127
 Alpha virt. eigenvalues --    3.49240   3.49607   3.51136   3.51157   3.51490
 Alpha virt. eigenvalues --    3.57591   3.70183   3.73450   3.76778   3.80792
 Alpha virt. eigenvalues --    3.81098   3.81457   3.82192   3.82633   3.84520
 Alpha virt. eigenvalues --    3.89409   3.89487   3.89653   4.03933   4.07851
 Alpha virt. eigenvalues --    4.08879   4.09845   4.10004   4.10573   4.10659
 Alpha virt. eigenvalues --    4.10881   4.11386   4.11691   4.13321   4.13387
 Alpha virt. eigenvalues --    4.13557   4.13716   4.13782   4.13878   4.13970
 Alpha virt. eigenvalues --    4.14043   4.15017   4.15193   4.15359   4.15557
 Alpha virt. eigenvalues --    4.16028   4.16450   4.17235   4.17894   4.17950
 Alpha virt. eigenvalues --    4.18140   4.18212   4.18474   4.18557   4.20410
 Alpha virt. eigenvalues --    4.20460   4.20640   4.21833   4.22539   4.22746
 Alpha virt. eigenvalues --    4.26915   4.32997   4.34096   4.36526   4.36684
 Alpha virt. eigenvalues --    4.36860   4.37102   4.37873   4.38717   4.41009
 Alpha virt. eigenvalues --    4.42032   4.42974   4.43163   4.43283   4.43529
 Alpha virt. eigenvalues --    4.44265   4.44748   4.44857   4.45111   4.45584
 Alpha virt. eigenvalues --    4.49630   4.50849   4.52223   4.52283   4.52461
 Alpha virt. eigenvalues --    4.53024   4.53044   4.53242   4.53281   4.60049
 Alpha virt. eigenvalues --    4.71363   4.77117   4.79828   4.81694   4.82326
 Alpha virt. eigenvalues --    4.84060   4.87195   4.87949   4.89830   4.92644
 Alpha virt. eigenvalues --    4.92707   4.92881   4.98868
          Condensed to atoms (all electrons):
 Mulliken charges:
               1
     1  C    0.078178
     2  C   -0.185412
     3  C    0.071563
     4  C    0.041266
     5  C   -0.111969
     6  C   -0.121437
     7  C    0.057033
     8  C    0.080190
     9  C    0.319420
    10  C    0.251618
    11  C   -0.190991
    12  C    0.085055
    13  C   -0.140714
    14  C   -0.085862
    15  N   -0.665117
    16  C    0.323446
    17  C    0.281505
    18  N   -0.589137
    19  C   -0.096302
    20  C   -0.120239
    21  C    0.072191
    22  C   -0.147438
    23  C    0.066916
    24  C    0.067334
    25  C    0.071269
    26  C   -0.128349
    27  C   -0.101731
    28  C    0.255275
    29  C   -0.102199
    30  C   -0.127926
    31  C   -0.129721
    32  C   -0.100197
    33  C    0.252231
    34  C   -0.101033
    35  C   -0.128932
    36  C   -0.130808
    37  C   -0.101408
    38  C    0.256653
    39  C   -0.101814
    40  C   -0.125414
    41  N   -0.735069
    42  N   -0.735667
    43  N   -0.736336
    44  C    0.292759
    45  C    0.041324
    46  C    0.041111
    47  C    0.293384
    48  C    0.293150
    49  C    0.041224
    50  C    0.041172
    51  C    0.293083
    52  C    0.293107
    53  C    0.041246
    54  C    0.041357
    55  C    0.292883
    56  C   -0.132842
    57  C   -0.099888
    58  C   -0.098658
    59  C   -0.109775
    60  C   -0.110436
    61  C   -0.098452
    62  C   -0.099603
    63  C   -0.132794
    64  C   -0.132761
    65  C   -0.099845
    66  C   -0.098364
    67  C   -0.110348
    68  C   -0.110036
    69  C   -0.098498
    70  C   -0.099889
    71  C   -0.132740
    72  C   -0.132690
    73  C   -0.099546
    74  C   -0.098358
    75  C   -0.110226
    76  C   -0.110171
    77  C   -0.098431
    78  C   -0.099668
    79  C   -0.132723
    80  H    0.252722
    81  H    0.095658
    82  H    0.120824
    83  H    0.097272
    84  H    0.093476
    85  H    0.112979
    86  H    0.132654
    87  H    0.173543
    88  H    0.114515
    89  H    0.110500
    90  H    0.107184
    91  H    0.115559
    92  H    0.112373
    93  H    0.095814
    94  H    0.098371
    95  H    0.113277
    96  H    0.113137
    97  H    0.097220
    98  H    0.103504
    99  H    0.115765
   100  H    0.114224
   101  H    0.099238
   102  H    0.087132
   103  H    0.081983
   104  H    0.083044
   105  H    0.089592
   106  H    0.095211
   107  H    0.086605
   108  H    0.082698
   109  H    0.086641
   110  H    0.087225
   111  H    0.082508
   112  H    0.084278
   113  H    0.091614
   114  H    0.090091
   115  H    0.084292
   116  H    0.082753
   117  H    0.087305
   118  H    0.087248
   119  H    0.083149
   120  H    0.086165
   121  H    0.093365
   122  H    0.091554
   123  H    0.084123
   124  H    0.082545
   125  H    0.087463
   126  Cl  -0.617371
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.078178
     2  C   -0.089754
     3  C    0.071563
     4  C    0.041266
     5  C    0.008856
     6  C   -0.024164
     7  C    0.057033
     8  C    0.080190
     9  C    0.319420
    10  C    0.251618
    11  C   -0.097516
    12  C    0.085055
    13  C   -0.027735
    14  C    0.046791
    15  N   -0.412395
    16  C    0.323446
    17  C    0.281505
    18  N   -0.589137
    19  C    0.077240
    20  C   -0.005724
    21  C    0.072191
    22  C   -0.036939
    23  C    0.066916
    24  C    0.067334
    25  C    0.071269
    26  C   -0.021164
    27  C    0.013828
    28  C    0.255275
    29  C    0.010174
    30  C   -0.032112
    31  C   -0.031350
    32  C    0.013080
    33  C    0.252231
    34  C    0.012103
    35  C   -0.031712
    36  C   -0.027305
    37  C    0.014356
    38  C    0.256653
    39  C    0.012410
    40  C   -0.026176
    41  N   -0.735069
    42  N   -0.735667
    43  N   -0.736336
    44  C    0.292759
    45  C    0.041324
    46  C    0.041111
    47  C    0.293384
    48  C    0.293150
    49  C    0.041224
    50  C    0.041172
    51  C    0.293083
    52  C    0.293107
    53  C    0.041246
    54  C    0.041357
    55  C    0.292883
    56  C   -0.045711
    57  C   -0.017905
    58  C   -0.015614
    59  C   -0.020183
    60  C   -0.015225
    61  C   -0.011846
    62  C   -0.016905
    63  C   -0.046152
    64  C   -0.045536
    65  C   -0.017336
    66  C   -0.014086
    67  C   -0.018734
    68  C   -0.019945
    69  C   -0.014206
    70  C   -0.017136
    71  C   -0.045435
    72  C   -0.045443
    73  C   -0.016396
    74  C   -0.012192
    75  C   -0.016861
    76  C   -0.018617
    77  C   -0.014309
    78  C   -0.017123
    79  C   -0.045260
   126  Cl  -0.617371
 APT charges:
               1
     1  C    0.342780
     2  C   -0.293157
     3  C    0.200831
     4  C   -0.273835
     5  C    0.023354
     6  C   -0.181047
     7  C    0.370917
     8  C   -0.514003
     9  C    0.564356
    10  C    0.166300
    11  C   -0.450935
    12  C    0.544508
    13  C   -0.281416
    14  C    0.061992
    15  N   -0.222618
    16  C   -0.255791
    17  C    0.183730
    18  N   -0.039268
    19  C    0.043696
    20  C   -0.251166
    21  C    0.415927
    22  C   -0.188743
    23  C   -0.048916
    24  C   -0.164410
    25  C   -0.137664
    26  C    0.055865
    27  C   -0.202740
    28  C    0.759828
    29  C   -0.226718
    30  C    0.050155
    31  C    0.013911
    32  C   -0.170262
    33  C    0.688549
    34  C   -0.180717
    35  C    0.012081
    36  C    0.070986
    37  C   -0.199374
    38  C    0.799453
    39  C   -0.249160
    40  C    0.027772
    41  N   -1.046158
    42  N   -1.113794
    43  N   -1.154639
    44  C    0.414156
    45  C   -0.089552
    46  C   -0.084392
    47  C    0.353218
    48  C    0.342880
    49  C   -0.079709
    50  C   -0.083963
    51  C    0.387454
    52  C    0.349027
    53  C   -0.097539
    54  C   -0.086385
    55  C    0.441672
    56  C    0.061127
    57  C   -0.161405
    58  C    0.046416
    59  C   -0.062410
    60  C   -0.080950
    61  C    0.050536
    62  C   -0.157193
    63  C    0.061421
    64  C    0.062773
    65  C   -0.151795
    66  C    0.044171
    67  C   -0.074732
    68  C   -0.063043
    69  C    0.044289
    70  C   -0.154493
    71  C    0.060725
    72  C    0.057660
    73  C   -0.160109
    74  C    0.056097
    75  C   -0.085557
    76  C   -0.058541
    77  C    0.043801
    78  C   -0.162691
    79  C    0.063821
    80  H    0.698481
    81  H    0.052182
    82  H    0.067388
    83  H    0.037041
    84  H    0.047922
    85  H    0.045780
    86  H    0.167877
    87  H    0.145042
    88  H    0.044256
    89  H    0.061162
    90  H    0.049658
    91  H    0.039029
    92  H    0.040887
    93  H    0.034945
    94  H    0.040579
    95  H    0.039255
    96  H    0.042387
    97  H    0.033491
    98  H    0.054485
    99  H    0.037580
   100  H    0.041555
   101  H    0.039283
   102  H    0.015448
   103  H    0.004683
   104  H    0.013829
   105  H    0.032745
   106  H    0.043079
   107  H    0.015855
   108  H    0.002219
   109  H    0.016435
   110  H    0.018003
   111  H    0.003673
   112  H    0.014191
   113  H    0.039486
   114  H    0.033026
   115  H    0.014733
   116  H    0.006232
   117  H    0.017072
   118  H    0.016170
   119  H    0.001801
   120  H    0.015069
   121  H    0.043437
   122  H    0.033023
   123  H    0.016647
   124  H    0.004073
   125  H    0.015630
   126  Cl  -0.894072
 Sum of APT charges =  -0.00000
 APT charges with hydrogens summed into heavy atoms:
               1
     1  C    0.342780
     2  C   -0.240975
     3  C    0.200831
     4  C   -0.273835
     5  C    0.090742
     6  C   -0.144006
     7  C    0.370917
     8  C   -0.514003
     9  C    0.564356
    10  C    0.166300
    11  C   -0.403013
    12  C    0.544508
    13  C   -0.235636
    14  C    0.229869
    15  N    0.475863
    16  C   -0.255791
    17  C    0.183730
    18  N   -0.039268
    19  C    0.188739
    20  C   -0.206910
    21  C    0.415927
    22  C   -0.127581
    23  C   -0.048916
    24  C   -0.164410
    25  C   -0.137664
    26  C    0.105523
    27  C   -0.163710
    28  C    0.759828
    29  C   -0.185831
    30  C    0.085100
    31  C    0.054491
    32  C   -0.131007
    33  C    0.688549
    34  C   -0.138330
    35  C    0.045572
    36  C    0.125471
    37  C   -0.161794
    38  C    0.799453
    39  C   -0.207605
    40  C    0.067055
    41  N   -1.046158
    42  N   -1.113794
    43  N   -1.154639
    44  C    0.414156
    45  C   -0.089552
    46  C   -0.084392
    47  C    0.353218
    48  C    0.342880
    49  C   -0.079709
    50  C   -0.083963
    51  C    0.387454
    52  C    0.349027
    53  C   -0.097539
    54  C   -0.086385
    55  C    0.441672
    56  C    0.076575
    57  C   -0.156722
    58  C    0.060245
    59  C   -0.029665
    60  C   -0.037871
    61  C    0.066392
    62  C   -0.154973
    63  C    0.077856
    64  C    0.080776
    65  C   -0.148122
    66  C    0.058361
    67  C   -0.035246
    68  C   -0.030017
    69  C    0.059023
    70  C   -0.148261
    71  C    0.077797
    72  C    0.073830
    73  C   -0.158308
    74  C    0.071166
    75  C   -0.042120
    76  C   -0.025517
    77  C    0.060448
    78  C   -0.158619
    79  C    0.079450
   126  Cl  -0.894072
 Electronic spatial extent (au):  <R**2>=         168589.5562
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              0.2414    Y=              7.7580    Z=             -0.3390  Tot=              7.7691
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=           -418.7718   YY=           -490.5004   ZZ=           -472.5734
   XY=            -19.2702   XZ=              0.8749   YZ=              1.4438
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             41.8434   YY=            -29.8852   ZZ=            -11.9582
   XY=            -19.2702   XZ=              0.8749   YZ=              1.4438
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=           -166.4016  YYY=            413.8049  ZZZ=              0.8316  XYY=            122.1108
  XXY=            -51.7615  XXZ=            -17.0535  XZZ=            -11.2976  YZZ=            -10.9744
  YYZ=             -2.6587  XYZ=             -3.2374
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=        -166612.9993 YYYY=         -56807.4024 ZZZZ=          -1368.6525 XXXY=            730.5838
 XXXZ=            253.7569 YYYX=          -1371.0879 YYYZ=            542.2185 ZZZX=              0.0853
 ZZZY=            -36.9329 XXYY=         -36872.0669 XXZZ=         -31487.7627 YYZZ=         -10321.4355
 XXYZ=            338.5369 YYXZ=           -163.0817 ZZXY=             33.2364
 N-N= 1.054969797741D+04 E-N=-2.942008281456D+04  KE= 3.550321267633D+03
  Exact polarizability:1810.571   8.5211164.564  -3.177  54.644 326.976
 Approx polarizability:2284.690  30.8001808.962  -4.369  65.432 570.106
 Calling FoFJK, ICntrl=    100127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 Full mass-weighted force constant matrix:
 Low frequencies ---   -0.3342   -0.0032   -0.0022    0.0033    0.5848    1.2939
 Low frequencies ---    4.4896    8.0023    9.7740
 Diagonal vibrational polarizability:
      262.5933225     152.4663948    1260.1758728
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 and normal coordinates:
                      1                      2                      3
                      A                      A                      A
 Frequencies --      4.4861                 7.9972                 9.7739
 Red. masses --      7.8937                 6.2778                 6.5951
 Frc consts  --      0.0001                 0.0002                 0.0004
 IR Inten    --      0.4859                 0.1564                 0.0777
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.03     0.00  -0.01  -0.08     0.01  -0.00   0.00
     2   6     0.00   0.00   0.04     0.01  -0.01  -0.07     0.02   0.00   0.00
     3   6     0.00   0.00   0.05     0.01  -0.01  -0.07     0.02  -0.00   0.01
     4   6     0.00   0.00   0.04     0.01  -0.01  -0.09     0.02  -0.00   0.02
     5   6     0.00   0.00   0.03     0.00  -0.01  -0.11     0.02  -0.00   0.02
     6   6     0.00   0.00   0.02     0.00  -0.01  -0.11     0.01  -0.00   0.01
     7   6     0.00   0.00   0.06     0.01  -0.01  -0.06     0.02  -0.00   0.02
     8   6     0.00   0.01   0.08     0.00  -0.01  -0.05     0.02  -0.00   0.02
     9   6     0.00   0.01   0.08     0.00  -0.01  -0.06     0.02  -0.00   0.02
    10   6     0.00   0.01   0.05     0.01  -0.01  -0.08     0.02  -0.00   0.02
    11   6     0.00   0.00   0.04     0.01  -0.01  -0.05     0.02  -0.00   0.02
    12   6     0.00   0.00   0.05     0.00  -0.01  -0.04     0.02  -0.00   0.04
    13   6     0.00   0.00   0.08     0.00  -0.01  -0.03     0.02  -0.00   0.04
    14   6     0.00   0.01   0.09     0.00  -0.01  -0.03     0.02  -0.00   0.03
    15   7     0.00   0.01   0.11     0.00  -0.01  -0.04     0.02  -0.00   0.01
    16   6     0.00   0.01   0.10     0.00  -0.01  -0.04     0.02  -0.00   0.00
    17   6     0.00   0.01   0.06     0.01  -0.01  -0.07     0.02  -0.00   0.01
    18   7     0.00   0.01   0.04     0.01  -0.01  -0.09     0.02  -0.00   0.02
    19   6     0.00   0.01   0.12     0.00  -0.01  -0.02     0.02  -0.00  -0.01
    20   6     0.00   0.01   0.10     0.00  -0.01  -0.02     0.02  -0.00  -0.01
    21   6     0.00   0.01   0.06     0.01  -0.01  -0.04     0.02  -0.00   0.00
    22   6     0.00   0.01   0.04     0.01  -0.01  -0.07     0.02  -0.00   0.01
    23   6     0.00   0.00   0.03     0.00  -0.01  -0.07     0.01   0.01  -0.01
    24   6     0.00   0.00   0.02     0.00  -0.01  -0.03     0.02  -0.01   0.04
    25   6     0.00   0.00   0.03     0.01  -0.01  -0.03     0.02  -0.00  -0.00
    26   6     0.02   0.01   0.03     0.00  -0.00  -0.01     0.01  -0.00   0.05
    27   6     0.01   0.01  -0.00     0.00  -0.00   0.00     0.01  -0.02   0.04
    28   6    -0.00  -0.00  -0.03     0.00  -0.01  -0.01     0.01  -0.04   0.03
    29   6    -0.02  -0.01  -0.04     0.01  -0.03  -0.03     0.02  -0.04   0.02
    30   6    -0.01  -0.01  -0.01     0.01  -0.03  -0.04     0.02  -0.03   0.02
    31   6     0.01  -0.00   0.02     0.02  -0.02  -0.08    -0.01   0.01  -0.01
    32   6     0.01  -0.00   0.02     0.01  -0.01  -0.05    -0.03   0.02  -0.01
    33   6     0.00   0.01   0.03    -0.01   0.00  -0.02    -0.02   0.04  -0.02
    34   6    -0.00   0.01   0.04    -0.02   0.01  -0.00     0.00   0.04  -0.02
    35   6    -0.00   0.01   0.04    -0.02   0.00  -0.03     0.02   0.02  -0.02
    36   6    -0.00   0.03   0.05     0.02   0.02   0.01     0.01  -0.02  -0.02
    37   6    -0.01   0.02   0.02     0.02   0.02   0.02     0.01  -0.01  -0.03
    38   6     0.00  -0.00  -0.02     0.01   0.00  -0.00     0.02   0.00  -0.00
    39   6     0.01  -0.02  -0.03    -0.00  -0.02  -0.04     0.03   0.02   0.02
    40   6     0.01  -0.02  -0.00    -0.00  -0.03  -0.05     0.03   0.01   0.02
    41   7     0.00   0.01   0.03    -0.02   0.01   0.02    -0.04   0.06  -0.01
    42   7    -0.00  -0.01  -0.06     0.00  -0.02   0.00     0.00  -0.06   0.01
    43   7    -0.00  -0.00  -0.05     0.01   0.01   0.02     0.02   0.01  -0.00
    44   6    -0.01  -0.01  -0.06     0.00  -0.02   0.03    -0.02  -0.08   0.03
    45   6    -0.01  -0.02  -0.10     0.00  -0.02   0.03    -0.02  -0.10   0.01
    46   6     0.01  -0.01  -0.13     0.00  -0.01   0.01     0.01  -0.10  -0.02
    47   6     0.01  -0.01  -0.11     0.00  -0.01  -0.01     0.02  -0.08  -0.02
    48   6     0.00   0.00   0.04    -0.00   0.03   0.07    -0.04   0.09  -0.02
    49   6     0.00   0.01   0.04    -0.02   0.03   0.10    -0.07   0.10  -0.02
    50   6    -0.00   0.01   0.02    -0.04   0.02   0.05    -0.09   0.08  -0.01
    51   6    -0.00   0.01   0.02    -0.04   0.01   0.00    -0.07   0.05  -0.00
    52   6    -0.01   0.00  -0.10     0.03   0.02  -0.01     0.03   0.00   0.03
    53   6    -0.01  -0.00  -0.12     0.02   0.03   0.03     0.03   0.01   0.02
    54   6     0.00  -0.02  -0.08     0.01   0.02   0.09     0.03   0.02  -0.03
    55   6     0.01  -0.02  -0.04    -0.00   0.01   0.08     0.02   0.02  -0.04
    56   6     0.02  -0.01  -0.17     0.00  -0.01  -0.00     0.02  -0.12  -0.05
    57   6     0.03  -0.01  -0.19     0.00  -0.00  -0.03     0.05  -0.11  -0.08
    58   6     0.03  -0.00  -0.17     0.00   0.00  -0.05     0.07  -0.09  -0.07
    59   6     0.03  -0.00  -0.13     0.00  -0.00  -0.04     0.05  -0.07  -0.04
    60   6    -0.03  -0.02  -0.02     0.00  -0.03   0.05    -0.05  -0.07   0.06
    61   6    -0.04  -0.02  -0.03     0.00  -0.04   0.08    -0.08  -0.09   0.07
    62   6    -0.03  -0.03  -0.07     0.00  -0.04   0.08    -0.07  -0.11   0.05
    63   6    -0.02  -0.02  -0.10     0.00  -0.03   0.06    -0.05  -0.12   0.02
    64   6    -0.00   0.01   0.01    -0.07   0.03   0.05    -0.12   0.08   0.00
    65   6    -0.01   0.01  -0.00    -0.09   0.02  -0.00    -0.13   0.05   0.02
    66   6    -0.01   0.01  -0.00    -0.09   0.01  -0.05    -0.11   0.02   0.02
    67   6    -0.01   0.01   0.00    -0.07   0.00  -0.05    -0.08   0.02   0.01
    68   6     0.01   0.00   0.05     0.02   0.03   0.11    -0.02   0.11  -0.04
    69   6     0.01   0.00   0.06     0.03   0.04   0.17    -0.02   0.14  -0.05
    70   6     0.01   0.00   0.06     0.02   0.05   0.19    -0.05   0.15  -0.04
    71   6     0.00   0.00   0.05    -0.01   0.05   0.16    -0.07   0.14  -0.03
    72   6     0.01  -0.03  -0.07    -0.01   0.02   0.14     0.03   0.04  -0.06
    73   6     0.01  -0.04  -0.03    -0.02   0.01   0.18     0.03   0.05  -0.10
    74   6     0.02  -0.04   0.01    -0.03  -0.00   0.17     0.02   0.05  -0.11
    75   6     0.01  -0.03   0.01    -0.02  -0.00   0.12     0.02   0.03  -0.08
    76   6    -0.02   0.02  -0.13     0.04   0.03  -0.06     0.03  -0.01   0.07
    77   6    -0.02   0.02  -0.18     0.06   0.04  -0.08     0.03  -0.02   0.10
    78   6    -0.02   0.02  -0.20     0.05   0.05  -0.04     0.03  -0.01   0.09
    79   6    -0.01   0.00  -0.17     0.04   0.04   0.01     0.03   0.01   0.04
    80   1     0.00   0.01   0.14     0.00  -0.01  -0.01     0.02  -0.00  -0.01
    81   1     0.00   0.00   0.05     0.01  -0.01  -0.05     0.02   0.00  -0.00
    82   1     0.00   0.00   0.02     0.00  -0.01  -0.13     0.02  -0.01   0.02
    83   1     0.00   0.00   0.01     0.00  -0.01  -0.13     0.01  -0.00   0.01
    84   1     0.00   0.00   0.01     0.01  -0.01  -0.06     0.02  -0.00   0.02
    85   1    -0.00   0.00   0.09     0.00  -0.01  -0.01     0.02  -0.00   0.05
    86   1     0.00   0.01   0.11     0.00  -0.01  -0.03     0.02  -0.00   0.04
    87   1     0.00   0.01   0.15     0.00  -0.01   0.00     0.02  -0.00  -0.02
    88   1     0.00   0.01   0.12     0.00  -0.01   0.01     0.02  -0.00  -0.02
    89   1     0.00   0.00   0.01     0.01  -0.01  -0.09     0.02  -0.00   0.02
    90   1     0.03   0.02   0.05    -0.00   0.01   0.00     0.01   0.01   0.06
    91   1     0.03   0.02   0.00    -0.00   0.01   0.02     0.00  -0.02   0.05
    92   1    -0.03  -0.02  -0.06     0.01  -0.04  -0.04     0.02  -0.06   0.00
    93   1    -0.03  -0.02  -0.01     0.01  -0.04  -0.05     0.03  -0.03   0.02
    94   1     0.01  -0.01   0.01     0.03  -0.02  -0.11    -0.02  -0.01  -0.00
    95   1     0.01  -0.00   0.01     0.03  -0.01  -0.06    -0.05   0.02  -0.01
    96   1    -0.01   0.02   0.04    -0.04   0.02   0.02     0.01   0.05  -0.03
    97   1    -0.01   0.01   0.04    -0.03   0.01  -0.02     0.03   0.02  -0.02
    98   1    -0.01   0.04   0.08     0.02   0.03   0.02     0.01  -0.03  -0.04
    99   1    -0.01   0.04   0.03     0.03   0.04   0.05     0.01  -0.02  -0.04
   100   1     0.01  -0.04  -0.06    -0.01  -0.04  -0.06     0.04   0.03   0.04
   101   1     0.01  -0.04  -0.01    -0.01  -0.04  -0.08     0.03   0.03   0.04
   102   1     0.01  -0.02  -0.19     0.00  -0.01   0.01     0.01  -0.14  -0.06
   103   1     0.04  -0.01  -0.23     0.00   0.00  -0.04     0.07  -0.13  -0.10
   104   1     0.05   0.00  -0.19     0.00   0.01  -0.07     0.09  -0.08  -0.09
   105   1     0.03   0.00  -0.11     0.00   0.00  -0.05     0.07  -0.05  -0.04
   106   1    -0.03  -0.02   0.01     0.00  -0.03   0.05    -0.05  -0.06   0.07
   107   1    -0.05  -0.03  -0.00     0.00  -0.04   0.10    -0.10  -0.09   0.09
   108   1    -0.04  -0.03  -0.07     0.00  -0.04   0.10    -0.09  -0.13   0.05
   109   1    -0.02  -0.02  -0.14     0.00  -0.03   0.06    -0.05  -0.14  -0.00
   110   1    -0.00   0.01   0.02    -0.07   0.04   0.09    -0.13   0.10   0.00
   111   1    -0.01   0.01  -0.01    -0.11   0.02  -0.01    -0.15   0.05   0.02
   112   1    -0.01   0.01  -0.01    -0.11  -0.00  -0.09    -0.12   0.00   0.03
   113   1    -0.01   0.01   0.00    -0.07  -0.00  -0.09    -0.07   0.00   0.01
   114   1     0.01   0.00   0.05     0.04   0.03   0.09     0.00   0.10  -0.04
   115   1     0.01   0.00   0.07     0.06   0.05   0.19    -0.00   0.15  -0.06
   116   1     0.01   0.00   0.07     0.03   0.06   0.24    -0.05   0.18  -0.05
   117   1     0.00   0.01   0.04    -0.02   0.05   0.18    -0.09   0.15  -0.03
   118   1     0.00  -0.03  -0.11    -0.00   0.03   0.15     0.03   0.04  -0.05
   119   1     0.02  -0.05  -0.03    -0.03   0.01   0.22     0.03   0.06  -0.13
   120   1     0.02  -0.05   0.04    -0.05  -0.01   0.21     0.02   0.06  -0.14
   121   1     0.02  -0.03   0.04    -0.03  -0.01   0.11     0.02   0.03  -0.09
   122   1    -0.02   0.02  -0.11     0.05   0.03  -0.09     0.03  -0.02   0.08
   123   1    -0.03   0.04  -0.20     0.07   0.05  -0.12     0.03  -0.03   0.13
   124   1    -0.02   0.02  -0.23     0.06   0.06  -0.05     0.03  -0.01   0.11
   125   1    -0.01  -0.00  -0.18     0.04   0.04   0.04     0.03   0.01   0.03
   126  17     0.00   0.01   0.21     0.00  -0.01   0.03     0.02  -0.01  -0.03
                      4                      5                      6
                      A                      A                      A
 Frequencies --     10.3923                10.6915                11.9578
 Red. masses --      5.7014                 5.6011                 7.0020
 Frc consts  --      0.0004                 0.0004                 0.0006
 IR Inten    --      0.0526                 0.0660                 0.1403
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.01  -0.01     0.01  -0.00  -0.01    -0.01  -0.05   0.02
     2   6    -0.01  -0.01  -0.02     0.01  -0.00  -0.02    -0.01  -0.05   0.02
     3   6    -0.01  -0.01  -0.02     0.01  -0.00  -0.02    -0.01  -0.06   0.02
     4   6    -0.01  -0.01  -0.01     0.01  -0.00  -0.01    -0.01  -0.06   0.02
     5   6    -0.01  -0.01  -0.01     0.01  -0.00   0.00    -0.01  -0.06   0.02
     6   6    -0.01  -0.01  -0.00     0.01  -0.00   0.00    -0.01  -0.06   0.02
     7   6    -0.01  -0.01  -0.02     0.00  -0.00  -0.02    -0.01  -0.06   0.02
     8   6    -0.01  -0.01  -0.00     0.00  -0.00  -0.02    -0.00  -0.06   0.03
     9   6    -0.01  -0.01  -0.01     0.00  -0.00  -0.01    -0.00  -0.06   0.03
    10   6    -0.01  -0.01  -0.01     0.01  -0.00  -0.01    -0.00  -0.06   0.03
    11   6    -0.01  -0.01  -0.02     0.00  -0.01  -0.02    -0.00  -0.05   0.01
    12   6    -0.01  -0.01  -0.00     0.00  -0.01  -0.03     0.00  -0.05   0.01
    13   6    -0.01  -0.01   0.02     0.00  -0.00  -0.03     0.00  -0.05   0.01
    14   6    -0.01  -0.01   0.02     0.00  -0.00  -0.03     0.00  -0.06   0.02
    15   7    -0.01  -0.01  -0.01     0.00  -0.00  -0.00    -0.00  -0.06   0.03
    16   6    -0.01  -0.01  -0.01     0.00  -0.00   0.00    -0.00  -0.06   0.03
    17   6    -0.01  -0.01  -0.01     0.00  -0.00  -0.00    -0.00  -0.06   0.02
    18   7    -0.01  -0.01  -0.01     0.01  -0.00  -0.01    -0.00  -0.06   0.02
    19   6    -0.01  -0.01  -0.02     0.00   0.00   0.02    -0.01  -0.06   0.03
    20   6    -0.01  -0.01  -0.02     0.00   0.00   0.02    -0.01  -0.06   0.02
    21   6    -0.01  -0.01  -0.01     0.00   0.00   0.01    -0.00  -0.06   0.00
    22   6    -0.01  -0.01  -0.01     0.01   0.00  -0.00    -0.00  -0.06   0.01
    23   6    -0.00  -0.01  -0.01     0.01  -0.00  -0.01    -0.02  -0.05   0.01
    24   6    -0.01  -0.00  -0.01     0.00  -0.01  -0.02     0.00  -0.04  -0.00
    25   6    -0.01  -0.01  -0.01     0.01   0.00   0.01    -0.00  -0.04  -0.01
    26   6     0.01   0.03   0.03    -0.00  -0.01  -0.03     0.02  -0.04  -0.02
    27   6     0.01   0.04   0.04    -0.01  -0.02  -0.02     0.02  -0.02  -0.02
    28   6    -0.00   0.01  -0.00     0.00  -0.01  -0.00     0.01  -0.00  -0.01
    29   6    -0.02  -0.02  -0.05     0.01  -0.01   0.00    -0.00  -0.00  -0.00
    30   6    -0.02  -0.03  -0.05     0.01  -0.00  -0.01    -0.01  -0.02   0.00
    31   6    -0.01  -0.00   0.01    -0.02   0.02   0.02    -0.03  -0.05   0.01
    32   6    -0.00  -0.00   0.02    -0.02   0.02   0.03    -0.04  -0.05   0.00
    33   6     0.00  -0.02   0.00    -0.00   0.01  -0.01    -0.03  -0.03   0.00
    34   6     0.01  -0.03  -0.02     0.02  -0.01  -0.05    -0.02  -0.03   0.00
    35   6     0.00  -0.03  -0.02     0.02  -0.02  -0.05    -0.01  -0.04   0.01
    36   6    -0.01  -0.01  -0.02     0.01   0.02   0.03    -0.02  -0.03  -0.02
    37   6    -0.01  -0.01  -0.01     0.01   0.02   0.03    -0.01  -0.00  -0.03
    38   6    -0.01   0.00  -0.01     0.01   0.00   0.00     0.02   0.01  -0.02
    39   6    -0.00   0.00   0.00     0.00  -0.02  -0.03     0.03  -0.01  -0.02
    40   6    -0.01   0.00  -0.00     0.00  -0.02  -0.02     0.02  -0.04  -0.01
    41   7     0.01  -0.02   0.01    -0.01   0.01  -0.00    -0.04  -0.02  -0.00
    42   7     0.00   0.03   0.00     0.00  -0.02   0.00     0.02   0.02  -0.01
    43   7    -0.00   0.01  -0.00     0.01   0.00  -0.00     0.03   0.05  -0.01
    44   6     0.01   0.01   0.07     0.00  -0.01  -0.00     0.05   0.04  -0.03
    45   6     0.01   0.04   0.05    -0.00  -0.02   0.02     0.05   0.07  -0.03
    46   6     0.00   0.06  -0.04    -0.00  -0.02   0.04     0.02   0.07  -0.00
    47   6    -0.00   0.06  -0.07    -0.00  -0.02   0.03     0.00   0.04   0.01
    48   6     0.00  -0.03  -0.02    -0.02   0.03  -0.07    -0.04  -0.01  -0.01
    49   6     0.01  -0.03   0.00    -0.02   0.03  -0.04    -0.06  -0.00  -0.01
    50   6     0.02  -0.04   0.04    -0.01   0.01   0.05    -0.07  -0.01  -0.01
    51   6     0.02  -0.03   0.05    -0.01  -0.00   0.07    -0.06  -0.03  -0.01
    52   6    -0.00   0.00   0.01     0.01   0.02  -0.05     0.07   0.06  -0.00
    53   6    -0.00   0.01   0.01     0.01   0.01  -0.04     0.07   0.10  -0.01
    54   6    -0.00   0.01  -0.00     0.00  -0.00   0.02     0.03   0.12  -0.02
    55   6    -0.01   0.01  -0.01     0.00  -0.01   0.04     0.00   0.08  -0.03
    56   6     0.00   0.09  -0.10    -0.00  -0.03   0.06     0.00   0.09   0.01
    57   6    -0.00   0.12  -0.19    -0.01  -0.03   0.08    -0.03   0.09   0.03
    58   6    -0.01   0.11  -0.21    -0.01  -0.03   0.07    -0.04   0.06   0.04
    59   6    -0.01   0.08  -0.15    -0.00  -0.03   0.04    -0.03   0.04   0.03
    60   6     0.02  -0.02   0.16     0.00  -0.01  -0.02     0.08   0.03  -0.05
    61   6     0.03  -0.03   0.22     0.00  -0.01  -0.02     0.10   0.05  -0.07
    62   6     0.03  -0.00   0.20     0.00  -0.01  -0.01     0.10   0.08  -0.06
    63   6     0.02   0.03   0.12     0.00  -0.02   0.02     0.07   0.09  -0.04
    64   6     0.04  -0.04   0.08    -0.01   0.00   0.11    -0.08  -0.01  -0.02
    65   6     0.05  -0.04   0.11    -0.00  -0.02   0.19    -0.09  -0.02  -0.02
    66   6     0.04  -0.04   0.11     0.01  -0.04   0.21    -0.08  -0.04  -0.01
    67   6     0.03  -0.03   0.08     0.01  -0.03   0.15    -0.07  -0.04  -0.01
    68   6    -0.01  -0.02  -0.06    -0.03   0.05  -0.15    -0.03  -0.00  -0.01
    69   6    -0.02  -0.02  -0.08    -0.04   0.07  -0.20    -0.03   0.01  -0.01
    70   6    -0.01  -0.03  -0.06    -0.05   0.07  -0.18    -0.05   0.02  -0.02
    71   6     0.01  -0.03  -0.02    -0.04   0.05  -0.09    -0.06   0.01  -0.02
    72   6    -0.01   0.02  -0.01     0.00  -0.01   0.06     0.01   0.16  -0.03
    73   6    -0.01   0.03  -0.03    -0.00  -0.02   0.11    -0.03   0.17  -0.05
    74   6    -0.01   0.02  -0.04    -0.01  -0.03   0.13    -0.05   0.13  -0.05
    75   6    -0.01   0.02  -0.03    -0.00  -0.02   0.09    -0.04   0.09  -0.04
    76   6     0.00  -0.00   0.03     0.01   0.03  -0.10     0.10   0.03   0.01
    77   6     0.01  -0.00   0.04     0.02   0.04  -0.14     0.14   0.05   0.02
    78   6     0.01   0.00   0.04     0.02   0.04  -0.13     0.14   0.10   0.01
    79   6     0.00   0.01   0.03     0.01   0.02  -0.08     0.10   0.12   0.00
    80   1    -0.01  -0.01  -0.02     0.00  -0.00   0.01    -0.00  -0.06   0.05
    81   1    -0.01  -0.01  -0.02     0.01  -0.01  -0.04    -0.01  -0.05   0.02
    82   1    -0.01  -0.01  -0.00     0.01  -0.00   0.01    -0.01  -0.06   0.03
    83   1    -0.01  -0.01   0.00     0.01  -0.00   0.02    -0.02  -0.06   0.02
    84   1    -0.01  -0.01  -0.04     0.00  -0.01  -0.02    -0.01  -0.05   0.01
    85   1    -0.01  -0.01   0.03     0.00  -0.01  -0.04     0.01  -0.05   0.01
    86   1    -0.01  -0.01   0.03     0.00  -0.00  -0.03     0.00  -0.06   0.03
    87   1    -0.01  -0.01  -0.02     0.00   0.00   0.02    -0.01  -0.06   0.04
    88   1    -0.01  -0.01  -0.02     0.00   0.00   0.03    -0.01  -0.06   0.01
    89   1    -0.01  -0.01  -0.01     0.01   0.00  -0.01     0.00  -0.06   0.00
    90   1     0.02   0.05   0.06    -0.01  -0.02  -0.04     0.03  -0.06  -0.02
    91   1     0.02   0.07   0.07    -0.01  -0.02  -0.02     0.04  -0.03  -0.03
    92   1    -0.03  -0.04  -0.08     0.01  -0.00   0.01    -0.01   0.01   0.00
    93   1    -0.03  -0.05  -0.08     0.02   0.00  -0.00    -0.02  -0.02   0.01
    94   1    -0.01   0.01   0.02    -0.03   0.03   0.05    -0.03  -0.06   0.01
    95   1    -0.01   0.01   0.03    -0.04   0.04   0.06    -0.05  -0.05   0.00
    96   1     0.01  -0.04  -0.03     0.04  -0.03  -0.07    -0.02  -0.02   0.00
    97   1     0.01  -0.04  -0.03     0.04  -0.03  -0.07    -0.01  -0.04   0.01
    98   1    -0.01  -0.01  -0.02     0.01   0.04   0.05    -0.04  -0.04  -0.02
    99   1    -0.01  -0.01  -0.02     0.01   0.04   0.05    -0.02   0.01  -0.03
   100   1    -0.00   0.01   0.01    -0.00  -0.03  -0.05     0.05  -0.00  -0.01
   101   1    -0.00   0.00   0.00    -0.00  -0.03  -0.04     0.04  -0.05  -0.01
   102   1     0.01   0.10  -0.08    -0.01  -0.03   0.07     0.02   0.11   0.01
   103   1    -0.01   0.14  -0.23    -0.01  -0.04   0.10    -0.04   0.10   0.04
   104   1    -0.02   0.13  -0.28    -0.01  -0.03   0.08    -0.07   0.05   0.06
   105   1    -0.01   0.08  -0.17    -0.00  -0.02   0.04    -0.04   0.01   0.03
   106   1     0.02  -0.04   0.17     0.01  -0.00  -0.04     0.08   0.01  -0.05
   107   1     0.03  -0.05   0.29     0.01  -0.00  -0.04     0.12   0.05  -0.08
   108   1     0.03  -0.01   0.25     0.00  -0.01  -0.01     0.12   0.10  -0.08
   109   1     0.02   0.04   0.10    -0.00  -0.02   0.03     0.07   0.11  -0.04
   110   1     0.04  -0.05   0.08    -0.02   0.01   0.10    -0.09   0.00  -0.03
   111   1     0.06  -0.05   0.14    -0.00  -0.03   0.24    -0.10  -0.02  -0.02
   112   1     0.05  -0.04   0.14     0.02  -0.06   0.27    -0.09  -0.04  -0.01
   113   1     0.03  -0.03   0.08     0.01  -0.04   0.16    -0.06  -0.05   0.00
   114   1    -0.02  -0.02  -0.07    -0.03   0.06  -0.17    -0.02  -0.01   0.00
   115   1    -0.03  -0.02  -0.11    -0.05   0.09  -0.26    -0.02   0.02  -0.01
   116   1    -0.01  -0.03  -0.08    -0.05   0.09  -0.22    -0.05   0.03  -0.02
   117   1     0.02  -0.04  -0.01    -0.04   0.05  -0.07    -0.07   0.02  -0.03
   118   1    -0.00   0.02  -0.00     0.00  -0.01   0.04     0.03   0.19  -0.03
   119   1    -0.01   0.03  -0.03    -0.01  -0.03   0.14    -0.04   0.20  -0.06
   120   1    -0.02   0.03  -0.05    -0.01  -0.04   0.17    -0.09   0.13  -0.06
   121   1    -0.01   0.01  -0.03    -0.00  -0.03   0.11    -0.05   0.06  -0.04
   122   1     0.00  -0.01   0.03     0.01   0.04  -0.11     0.10  -0.00   0.01
   123   1     0.01  -0.01   0.05     0.02   0.05  -0.18     0.16   0.03   0.03
   124   1     0.01   0.00   0.05     0.02   0.05  -0.17     0.17   0.11   0.02
   125   1     0.00   0.01   0.03     0.01   0.02  -0.07     0.10   0.16  -0.00
   126  17    -0.01  -0.01  -0.03     0.00  -0.00   0.02    -0.00  -0.06   0.08
                      7                      8                      9
                      A                      A                      A
 Frequencies --     15.8910                18.6629                22.8923
 Red. masses --      8.1806                 7.4465                 6.4344
 Frc consts  --      0.0012                 0.0015                 0.0020
 IR Inten    --      2.2479                 1.6863                 0.8602
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.01  -0.11    -0.03   0.03  -0.01    -0.01   0.02   0.10
     2   6     0.01  -0.01  -0.09    -0.02   0.03   0.01    -0.00   0.02   0.06
     3   6     0.01  -0.00  -0.08    -0.02   0.03  -0.00     0.00   0.01   0.02
     4   6     0.01   0.00  -0.08    -0.02   0.02  -0.04     0.00   0.01   0.04
     5   6     0.01   0.01  -0.10    -0.03   0.01  -0.06    -0.00   0.01   0.08
     6   6     0.02   0.00  -0.11    -0.03   0.02  -0.04    -0.01   0.01   0.11
     7   6     0.00  -0.00  -0.07    -0.00   0.03   0.02     0.01   0.01  -0.04
     8   6    -0.00   0.00  -0.05     0.00   0.02   0.02     0.01   0.01  -0.06
     9   6    -0.00   0.01  -0.02     0.00   0.01  -0.01     0.01   0.01  -0.02
    10   6     0.00   0.01  -0.05    -0.01   0.01  -0.05     0.00   0.00   0.00
    11   6    -0.00  -0.01  -0.08    -0.00   0.04   0.04     0.01   0.01  -0.07
    12   6    -0.01  -0.01  -0.08     0.01   0.04   0.06     0.01   0.01  -0.12
    13   6    -0.01  -0.01  -0.06     0.01   0.04   0.06     0.01   0.01  -0.15
    14   6    -0.01  -0.00  -0.05     0.01   0.03   0.04     0.01   0.01  -0.12
    15   7    -0.00   0.01   0.03     0.01   0.00  -0.01     0.01   0.00  -0.02
    16   6    -0.00   0.02   0.04     0.00  -0.01  -0.05     0.01  -0.00  -0.01
    17   6     0.00   0.02   0.00    -0.01  -0.01  -0.09     0.00  -0.00  -0.01
    18   7     0.00   0.01  -0.04    -0.01  -0.00  -0.09     0.00   0.00   0.01
    19   6    -0.01   0.02   0.08     0.01  -0.02  -0.06     0.01  -0.00  -0.01
    20   6    -0.00   0.03   0.08     0.01  -0.03  -0.09     0.01  -0.01  -0.02
    21   6    -0.00   0.03   0.04    -0.00  -0.03  -0.13     0.01  -0.01  -0.02
    22   6     0.00   0.02   0.01    -0.01  -0.02  -0.13     0.00  -0.01  -0.01
    23   6     0.02  -0.01  -0.10    -0.03   0.03   0.01    -0.01   0.02   0.11
    24   6    -0.01  -0.02  -0.08     0.01   0.05   0.07     0.00   0.00  -0.13
    25   6    -0.00   0.03   0.05    -0.01  -0.04  -0.13     0.01  -0.01  -0.02
    26   6    -0.01  -0.02  -0.07     0.01   0.05   0.07    -0.01  -0.01  -0.13
    27   6    -0.02  -0.02  -0.06     0.01   0.04   0.06    -0.01  -0.01  -0.12
    28   6    -0.01  -0.01  -0.05     0.01   0.03   0.06     0.00  -0.01  -0.10
    29   6    -0.00  -0.02  -0.06     0.01   0.04   0.06     0.01  -0.01  -0.11
    30   6    -0.00  -0.02  -0.07     0.01   0.05   0.07     0.01   0.00  -0.11
    31   6     0.03  -0.00  -0.09    -0.02   0.04   0.01    -0.02   0.03   0.12
    32   6     0.03  -0.00  -0.07    -0.02   0.03   0.01    -0.02   0.03   0.12
    33   6     0.02  -0.01  -0.06    -0.02   0.02   0.02    -0.02   0.03   0.10
    34   6     0.02  -0.02  -0.08    -0.03   0.02   0.02    -0.01   0.03   0.10
    35   6     0.02  -0.02  -0.10    -0.04   0.03   0.02    -0.01   0.02   0.11
    36   6    -0.00   0.02   0.04     0.00  -0.05  -0.13     0.01  -0.01  -0.02
    37   6    -0.01   0.01   0.03     0.00  -0.05  -0.11     0.01  -0.01  -0.02
    38   6    -0.01   0.01   0.03    -0.00  -0.04  -0.10     0.01  -0.01  -0.02
    39   6    -0.00   0.03   0.05    -0.01  -0.04  -0.11     0.01  -0.01  -0.02
    40   6    -0.00   0.03   0.06    -0.01  -0.04  -0.13     0.01  -0.01  -0.02
    41   7     0.02  -0.00  -0.03    -0.00   0.01   0.01    -0.01   0.02   0.08
    42   7    -0.01  -0.01  -0.03     0.00   0.01   0.03     0.00  -0.01  -0.08
    43   7    -0.01   0.00   0.02    -0.00  -0.02  -0.06     0.01  -0.01  -0.01
    44   6     0.01  -0.00  -0.01    -0.02   0.01   0.00     0.00  -0.03  -0.01
    45   6     0.00   0.00   0.03    -0.02  -0.01  -0.03    -0.00  -0.04   0.07
    46   6    -0.01   0.00   0.05     0.01  -0.02  -0.02    -0.01  -0.03   0.04
    47   6    -0.02  -0.00   0.01     0.02  -0.01   0.02    -0.01  -0.01  -0.04
    48   6     0.02   0.01  -0.01    -0.01  -0.02  -0.01    -0.02   0.00   0.04
    49   6     0.02   0.01   0.04     0.01  -0.03  -0.01    -0.02   0.01  -0.04
    50   6     0.01  -0.00   0.05     0.03  -0.01   0.01    -0.01   0.03  -0.06
    51   6     0.01  -0.01   0.01     0.02   0.01   0.02    -0.00   0.03   0.02
    52   6    -0.03  -0.02   0.05     0.02  -0.03  -0.00     0.01  -0.01  -0.01
    53   6    -0.03  -0.03   0.02     0.02  -0.01   0.07     0.01  -0.00   0.00
    54   6    -0.00  -0.02  -0.04    -0.01   0.00   0.05     0.01   0.00   0.01
    55   6     0.01  -0.00  -0.04    -0.02  -0.01  -0.02     0.00  -0.00  -0.00
    56   6    -0.02   0.01   0.09     0.02  -0.04  -0.04    -0.02  -0.04   0.09
    57   6    -0.04   0.00   0.09     0.05  -0.05  -0.03    -0.02  -0.03   0.06
    58   6    -0.05  -0.00   0.06     0.06  -0.03   0.01    -0.02  -0.01  -0.03
    59   6    -0.04  -0.00   0.02     0.05  -0.01   0.04    -0.01  -0.00  -0.08
    60   6     0.02  -0.00  -0.04    -0.05   0.03   0.00     0.01  -0.03  -0.01
    61   6     0.04  -0.00  -0.02    -0.07   0.02  -0.04     0.01  -0.05   0.07
    62   6     0.03   0.00   0.03    -0.07  -0.00  -0.07     0.01  -0.06   0.15
    63   6     0.02   0.01   0.05    -0.04  -0.02  -0.07    -0.00  -0.05   0.14
    64   6    -0.00  -0.01   0.10     0.06  -0.02   0.02     0.00   0.04  -0.13
    65   6    -0.01  -0.03   0.11     0.08  -0.00   0.04     0.01   0.06  -0.12
    66   6    -0.01  -0.04   0.06     0.07   0.02   0.05     0.02   0.06  -0.05
    67   6    -0.00  -0.03   0.01     0.04   0.02   0.04     0.01   0.05   0.02
    68   6     0.03   0.03  -0.04    -0.04  -0.02  -0.03    -0.03  -0.01   0.07
    69   6     0.04   0.04  -0.01    -0.04  -0.05  -0.05    -0.04  -0.02   0.01
    70   6     0.03   0.04   0.05    -0.02  -0.06  -0.05    -0.04  -0.02  -0.06
    71   6     0.02   0.02   0.07     0.01  -0.05  -0.03    -0.03  -0.00  -0.09
    72   6     0.01  -0.02  -0.10    -0.03   0.02   0.10     0.00   0.00   0.02
    73   6     0.04  -0.01  -0.15    -0.06   0.02   0.07    -0.00   0.01   0.01
    74   6     0.05   0.01  -0.15    -0.07   0.02  -0.00    -0.01   0.00   0.00
    75   6     0.03   0.01  -0.09    -0.05   0.00  -0.05    -0.00  -0.00  -0.00
    76   6    -0.05  -0.02   0.11     0.05  -0.04  -0.00     0.02  -0.01  -0.01
    77   6    -0.07  -0.04   0.14     0.07  -0.04   0.07     0.03  -0.01  -0.00
    78   6    -0.07  -0.05   0.11     0.07  -0.03   0.14     0.03  -0.00   0.01
    79   6    -0.05  -0.04   0.04     0.04  -0.01   0.14     0.02   0.00   0.01
    80   1    -0.01   0.02   0.10     0.02   0.01   0.06     0.01   0.00   0.01
    81   1     0.01  -0.01  -0.09    -0.02   0.04   0.04     0.00   0.02   0.05
    82   1     0.02   0.01  -0.10    -0.03   0.01  -0.09    -0.00   0.00   0.10
    83   1     0.02   0.00  -0.12    -0.04   0.02  -0.06    -0.01   0.01   0.15
    84   1     0.00  -0.01  -0.10    -0.01   0.05   0.04     0.01   0.01  -0.06
    85   1    -0.02  -0.01  -0.06     0.02   0.04   0.07     0.01   0.01  -0.19
    86   1    -0.01   0.00  -0.03     0.02   0.02   0.04     0.01   0.01  -0.14
    87   1    -0.01   0.02   0.11     0.02  -0.01  -0.03     0.01  -0.00  -0.01
    88   1    -0.01   0.03   0.10     0.02  -0.04  -0.10     0.01  -0.01  -0.02
    89   1     0.01   0.02  -0.02    -0.02  -0.03  -0.15     0.00  -0.01  -0.00
    90   1    -0.02  -0.02  -0.08     0.01   0.05   0.07    -0.02  -0.01  -0.14
    91   1    -0.02  -0.02  -0.06     0.00   0.04   0.06    -0.02  -0.01  -0.12
    92   1     0.00  -0.02  -0.05     0.01   0.04   0.06     0.02  -0.01  -0.10
    93   1     0.00  -0.02  -0.07     0.01   0.05   0.07     0.02   0.01  -0.11
    94   1     0.03   0.00  -0.10    -0.02   0.04   0.01    -0.03   0.02   0.13
    95   1     0.03   0.01  -0.06    -0.01   0.03   0.02    -0.03   0.03   0.12
    96   1     0.01  -0.02  -0.07    -0.03   0.01   0.02    -0.01   0.03   0.10
    97   1     0.01  -0.02  -0.10    -0.05   0.03   0.02    -0.00   0.02   0.10
    98   1    -0.00   0.02   0.03     0.01  -0.05  -0.13     0.01  -0.01  -0.02
    99   1    -0.01  -0.00   0.01     0.01  -0.05  -0.11     0.01  -0.01  -0.02
   100   1    -0.00   0.04   0.06    -0.02  -0.04  -0.10     0.01  -0.01  -0.02
   101   1    -0.00   0.04   0.06    -0.02  -0.04  -0.14     0.01  -0.01  -0.02
   102   1    -0.02   0.01   0.11     0.01  -0.05  -0.07    -0.02  -0.05   0.16
   103   1    -0.05   0.01   0.13     0.06  -0.06  -0.04    -0.03  -0.03   0.10
   104   1    -0.06  -0.00   0.07     0.09  -0.03   0.03    -0.03  -0.00  -0.05
   105   1    -0.04  -0.01  -0.01     0.06   0.00   0.07    -0.01   0.01  -0.14
   106   1     0.03  -0.01  -0.07    -0.05   0.04   0.03     0.02  -0.02  -0.07
   107   1     0.05  -0.00  -0.03    -0.09   0.03  -0.04     0.02  -0.05   0.07
   108   1     0.04   0.01   0.04    -0.09  -0.01  -0.10     0.01  -0.07   0.21
   109   1     0.01   0.01   0.08    -0.04  -0.03  -0.10    -0.01  -0.06   0.20
   110   1    -0.00  -0.01   0.14     0.07  -0.03   0.01    -0.00   0.03  -0.18
   111   1    -0.02  -0.03   0.14     0.10  -0.00   0.05     0.02   0.06  -0.18
   112   1    -0.02  -0.05   0.06     0.08   0.03   0.07     0.03   0.08  -0.05
   113   1    -0.00  -0.04  -0.03     0.03   0.04   0.05     0.02   0.06   0.08
   114   1     0.04   0.03  -0.08    -0.06  -0.01  -0.03    -0.03  -0.02   0.13
   115   1     0.05   0.05  -0.02    -0.06  -0.05  -0.06    -0.05  -0.03   0.03
   116   1     0.04   0.05   0.07    -0.02  -0.08  -0.07    -0.05  -0.03  -0.10
   117   1     0.02   0.02   0.11     0.03  -0.06  -0.03    -0.03   0.00  -0.15
   118   1     0.00  -0.03  -0.11    -0.02   0.02   0.16     0.00   0.01   0.02
   119   1     0.05  -0.01  -0.20    -0.07   0.04   0.11    -0.01   0.01   0.02
   120   1     0.07   0.02  -0.19    -0.09   0.02  -0.02    -0.01   0.00   0.00
   121   1     0.04   0.03  -0.08    -0.06  -0.00  -0.11    -0.01  -0.01  -0.01
   122   1    -0.05  -0.02   0.14     0.06  -0.05  -0.06     0.02  -0.01  -0.02
   123   1    -0.09  -0.04   0.18     0.10  -0.06   0.07     0.03  -0.01  -0.01
   124   1    -0.08  -0.06   0.13     0.08  -0.03   0.19     0.03  -0.00   0.01
   125   1    -0.04  -0.05   0.02     0.04  -0.00   0.20     0.02   0.00   0.02
   126  17    -0.01   0.02   0.26     0.03   0.01   0.20     0.02   0.01   0.11
                     10                     11                     12
                      A                      A                      A
 Frequencies --     27.5867                36.1894                44.7320
 Red. masses --      6.2524                 6.1027                 5.5184
 Frc consts  --      0.0028                 0.0047                 0.0065
 IR Inten    --      0.2692                 0.5875                 1.5122
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06   0.04  -0.05     0.00  -0.02  -0.02    -0.00   0.00  -0.08
     2   6    -0.04   0.04  -0.05     0.00  -0.02  -0.02     0.00   0.00  -0.03
     3   6    -0.03   0.03  -0.05     0.00  -0.02  -0.06     0.01  -0.00  -0.04
     4   6    -0.03   0.01  -0.04     0.00  -0.02  -0.10     0.00  -0.00  -0.09
     5   6    -0.05   0.01  -0.04     0.00  -0.02  -0.11     0.00  -0.01  -0.17
     6   6    -0.07   0.02  -0.05     0.00  -0.02  -0.07    -0.00  -0.00  -0.17
     7   6    -0.01   0.03  -0.04     0.00  -0.02  -0.05     0.01  -0.00   0.02
     8   6     0.01   0.02  -0.04     0.00  -0.02  -0.08     0.00   0.00   0.09
     9   6     0.00   0.00  -0.02     0.00  -0.02  -0.10     0.00   0.00   0.04
    10   6    -0.02  -0.00  -0.01     0.00  -0.02  -0.11     0.01  -0.00  -0.05
    11   6     0.00   0.05  -0.04     0.00  -0.02  -0.02     0.01  -0.00   0.01
    12   6     0.02   0.06  -0.04     0.00  -0.02  -0.01     0.00  -0.00   0.07
    13   6     0.03   0.04  -0.04     0.00  -0.02  -0.05     0.00   0.00   0.18
    14   6     0.03   0.03  -0.04     0.00  -0.02  -0.09     0.00   0.00   0.18
    15   7     0.02  -0.01   0.01    -0.00  -0.02  -0.09     0.00   0.00   0.08
    16   6     0.01  -0.03   0.04    -0.00  -0.01  -0.08     0.00   0.00   0.06
    17   6    -0.01  -0.04   0.04     0.00  -0.01  -0.09     0.01   0.00  -0.02
    18   7    -0.02  -0.02   0.01     0.01  -0.01  -0.11     0.01  -0.00  -0.08
    19   6     0.02  -0.05   0.07    -0.01  -0.00  -0.05     0.00   0.01   0.11
    20   6     0.02  -0.06   0.09    -0.01   0.00  -0.02     0.00   0.01   0.10
    21   6    -0.00  -0.07   0.08     0.00   0.01  -0.02     0.00   0.01   0.02
    22   6    -0.01  -0.06   0.06     0.01  -0.00  -0.06     0.01   0.00  -0.03
    23   6    -0.07   0.04  -0.04    -0.00  -0.01   0.03    -0.01   0.01  -0.03
    24   6     0.02   0.07  -0.02     0.00  -0.01   0.03     0.00  -0.01   0.03
    25   6    -0.00  -0.07   0.08     0.00   0.02   0.03     0.01   0.01   0.01
    26   6     0.01   0.07  -0.02    -0.01  -0.01   0.04     0.03   0.01   0.04
    27   6     0.01   0.07  -0.01    -0.01  -0.01   0.08     0.03   0.00  -0.01
    28   6     0.02   0.06  -0.01     0.00  -0.01   0.10     0.00  -0.02  -0.07
    29   6     0.03   0.06  -0.01     0.02  -0.00   0.09    -0.03  -0.05  -0.09
    30   6     0.03   0.07  -0.01     0.02  -0.01   0.06    -0.03  -0.04  -0.05
    31   6    -0.06   0.05  -0.03     0.01  -0.00   0.04     0.02   0.01  -0.03
    32   6    -0.06   0.04  -0.03     0.01  -0.00   0.08     0.02   0.02   0.02
    33   6    -0.06   0.03  -0.03    -0.01  -0.01   0.10    -0.02   0.02   0.08
    34   6    -0.07   0.03  -0.03    -0.02  -0.01   0.10    -0.05   0.02   0.09
    35   6    -0.07   0.04  -0.03    -0.02  -0.01   0.06    -0.05   0.02   0.04
    36   6    -0.01  -0.07   0.08     0.02   0.03   0.06     0.00   0.03   0.03
    37   6    -0.01  -0.06   0.08     0.02   0.03   0.10     0.01   0.03   0.02
    38   6     0.00  -0.05   0.07     0.01   0.03   0.10     0.01   0.01  -0.02
    39   6     0.01  -0.07   0.07    -0.01   0.03   0.09     0.01  -0.01  -0.04
    40   6     0.00  -0.08   0.07    -0.01   0.02   0.05     0.01  -0.02  -0.03
    41   7    -0.04   0.01  -0.03    -0.00  -0.01   0.12    -0.01   0.01   0.11
    42   7     0.01   0.03  -0.01     0.00  -0.01   0.11     0.00  -0.01  -0.09
    43   7     0.01  -0.03   0.07     0.00   0.01   0.11     0.01   0.01  -0.03
    44   6    -0.02   0.02  -0.00     0.00  -0.00   0.06     0.02  -0.01  -0.06
    45   6    -0.02  -0.02   0.02     0.01   0.01  -0.03     0.01  -0.01   0.00
    46   6     0.01  -0.03   0.02     0.01   0.01  -0.03    -0.01  -0.01   0.02
    47   6     0.03   0.00  -0.00     0.01  -0.00   0.05    -0.01  -0.01  -0.04
    48   6    -0.04  -0.02  -0.01    -0.02  -0.01   0.06    -0.02  -0.00   0.06
    49   6    -0.00  -0.05   0.03    -0.02  -0.00  -0.03    -0.01   0.00  -0.01
    50   6     0.02  -0.02   0.03    -0.02   0.00  -0.02     0.00   0.01  -0.00
    51   6    -0.00   0.02  -0.01    -0.00  -0.00   0.06     0.01   0.02   0.07
    52   6     0.04  -0.02   0.03    -0.01   0.02   0.06     0.00   0.00  -0.01
    53   6     0.04   0.03  -0.04    -0.01   0.01  -0.02     0.00  -0.00   0.01
    54   6     0.02   0.04  -0.05     0.01   0.01  -0.02     0.01  -0.00   0.00
    55   6    -0.00  -0.00   0.02     0.02   0.01   0.06     0.01   0.01  -0.02
    56   6     0.02  -0.06   0.03     0.02   0.02  -0.10    -0.02  -0.01   0.08
    57   6     0.06  -0.06   0.03     0.03   0.02  -0.08    -0.04  -0.01   0.08
    58   6     0.08  -0.03   0.01     0.03   0.00  -0.00    -0.04  -0.01   0.01
    59   6     0.06   0.01  -0.01     0.02  -0.01   0.07    -0.03  -0.01  -0.05
    60   6    -0.05   0.04  -0.01    -0.01  -0.00   0.07     0.03  -0.01  -0.08
    61   6    -0.08   0.01   0.01    -0.01   0.01   0.01     0.04  -0.01  -0.04
    62   6    -0.08  -0.03   0.03     0.00   0.03  -0.07     0.03  -0.01   0.02
    63   6    -0.05  -0.04   0.03     0.01   0.03  -0.09     0.02  -0.01   0.04
    64   6     0.06  -0.03   0.05    -0.02   0.02  -0.09     0.01   0.02  -0.06
    65   6     0.08   0.00   0.05    -0.01   0.02  -0.07     0.02   0.03  -0.03
    66   6     0.05   0.04   0.01     0.00   0.01   0.01     0.03   0.04   0.04
    67   6     0.01   0.05  -0.02     0.01   0.00   0.08     0.02   0.03   0.09
    68   6    -0.07  -0.04  -0.01    -0.02  -0.02   0.07    -0.04  -0.01   0.06
    69   6    -0.06  -0.08   0.01    -0.04  -0.02  -0.00    -0.05  -0.02  -0.00
    70   6    -0.03  -0.10   0.05    -0.05  -0.01  -0.09    -0.05  -0.02  -0.08
    71   6     0.00  -0.08   0.06    -0.04   0.00  -0.10    -0.03  -0.01  -0.08
    72   6     0.01   0.07  -0.10     0.03   0.00  -0.09     0.01  -0.01   0.01
    73   6    -0.01   0.07  -0.09     0.06  -0.00  -0.08     0.01  -0.01  -0.00
    74   6    -0.03   0.03  -0.02     0.06  -0.00   0.00     0.02   0.00  -0.02
    75   6    -0.03  -0.01   0.04     0.05   0.00   0.07     0.02   0.01  -0.03
    76   6     0.06  -0.03   0.05    -0.04   0.03   0.08     0.00   0.00  -0.01
    77   6     0.08  -0.01  -0.01    -0.05   0.03   0.02    -0.00  -0.00   0.02
    78   6     0.09   0.04  -0.08    -0.05   0.03  -0.06    -0.00  -0.01   0.04
    79   6     0.07   0.06  -0.09    -0.02   0.02  -0.08    -0.00  -0.01   0.04
    80   1     0.03  -0.01  -0.01    -0.01  -0.02  -0.04     0.00   0.00   0.05
    81   1    -0.04   0.06  -0.06     0.01  -0.02   0.02     0.01   0.01   0.04
    82   1    -0.06  -0.01  -0.04     0.00  -0.02  -0.14     0.00  -0.01  -0.22
    83   1    -0.08   0.02  -0.05     0.00  -0.02  -0.07    -0.01  -0.01  -0.22
    84   1    -0.01   0.06  -0.04    -0.00  -0.02   0.01     0.01  -0.00  -0.07
    85   1     0.05   0.05  -0.04     0.00  -0.02  -0.05    -0.00  -0.00   0.24
    86   1     0.04   0.02  -0.04     0.00  -0.02  -0.11     0.00   0.00   0.24
    87   1     0.04  -0.04   0.07    -0.01  -0.01  -0.04     0.00   0.01   0.16
    88   1     0.02  -0.07   0.11    -0.01   0.01   0.01     0.00   0.01   0.14
    89   1    -0.03  -0.06   0.06     0.01  -0.00  -0.06     0.01   0.00  -0.09
    90   1     0.01   0.08  -0.02    -0.02  -0.01   0.03     0.05   0.03   0.09
    91   1     0.00   0.06  -0.01    -0.02  -0.01   0.09     0.05   0.02   0.00
    92   1     0.03   0.06  -0.00     0.03  -0.00   0.11    -0.05  -0.07  -0.14
    93   1     0.04   0.07  -0.02     0.03  -0.01   0.05    -0.05  -0.06  -0.06
    94   1    -0.06   0.06  -0.03     0.03  -0.00   0.02     0.06   0.01  -0.08
    95   1    -0.05   0.05  -0.03     0.02   0.01   0.08     0.04   0.02   0.02
    96   1    -0.07   0.03  -0.02    -0.04  -0.01   0.12    -0.08   0.03   0.14
    97   1    -0.08   0.04  -0.03    -0.03  -0.02   0.06    -0.08   0.02   0.05
    98   1    -0.02  -0.06   0.09     0.03   0.03   0.06     0.00   0.05   0.06
    99   1    -0.01  -0.05   0.08     0.04   0.04   0.12     0.00   0.05   0.03
   100   1     0.01  -0.07   0.06    -0.02   0.03   0.09     0.01  -0.03  -0.07
   101   1     0.01  -0.09   0.07    -0.02   0.02   0.03     0.01  -0.04  -0.05
   102   1     0.01  -0.09   0.05     0.03   0.04  -0.16    -0.02  -0.01   0.13
   103   1     0.07  -0.09   0.04     0.04   0.03  -0.14    -0.05  -0.01   0.13
   104   1     0.10  -0.03   0.01     0.03   0.00   0.01    -0.06  -0.01   0.01
   105   1     0.08   0.03  -0.02     0.02  -0.02   0.13    -0.03  -0.01  -0.10
   106   1    -0.05   0.07  -0.02    -0.01  -0.01   0.14     0.03  -0.01  -0.12
   107   1    -0.10   0.03   0.01    -0.01   0.01   0.02     0.05  -0.02  -0.05
   108   1    -0.10  -0.04   0.04    -0.00   0.04  -0.12     0.04  -0.02   0.05
   109   1    -0.05  -0.07   0.05     0.01   0.04  -0.15     0.02  -0.02   0.09
   110   1     0.08  -0.06   0.08    -0.03   0.02  -0.16     0.01   0.02  -0.11
   111   1     0.11  -0.00   0.07    -0.01   0.03  -0.12     0.03   0.04  -0.07
   112   1     0.06   0.06   0.00     0.01   0.02   0.03     0.04   0.05   0.05
   113   1    -0.01   0.07  -0.04     0.02  -0.00   0.15     0.03   0.03   0.14
   114   1    -0.10  -0.02  -0.04    -0.02  -0.03   0.14    -0.04  -0.02   0.12
   115   1    -0.09  -0.09   0.01    -0.04  -0.02   0.01    -0.07  -0.04   0.00
   116   1    -0.02  -0.13   0.07    -0.06  -0.01  -0.15    -0.06  -0.03  -0.13
   117   1     0.03  -0.10   0.08    -0.04   0.01  -0.17    -0.02  -0.01  -0.14
   118   1     0.03   0.10  -0.16     0.03   0.00  -0.15     0.00  -0.02   0.03
   119   1    -0.02   0.10  -0.14     0.07  -0.00  -0.13     0.01  -0.01   0.00
   120   1    -0.05   0.03  -0.01     0.08  -0.00   0.01     0.02   0.00  -0.03
   121   1    -0.04  -0.04   0.09     0.05   0.00   0.13     0.02   0.02  -0.05
   122   1     0.05  -0.07   0.10    -0.04   0.03   0.14     0.00   0.01  -0.03
   123   1     0.10  -0.02   0.01    -0.07   0.04   0.03    -0.00  -0.00   0.02
   124   1     0.11   0.06  -0.12    -0.06   0.03  -0.11    -0.01  -0.02   0.06
   125   1     0.07   0.09  -0.15    -0.02   0.02  -0.14    -0.00  -0.02   0.05
   126  17     0.06  -0.02  -0.05    -0.01  -0.01   0.05    -0.00  -0.01  -0.08
                     13                     14                     15
                      A                      A                      A
 Frequencies --     49.5475                50.2500                51.5481
 Red. masses --      6.0437                 5.6420                 5.9214
 Frc consts  --      0.0087                 0.0084                 0.0093
 IR Inten    --      0.2534                 0.2254                 0.0184
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.01  -0.03     0.02   0.01   0.02    -0.01  -0.03   0.00
     2   6     0.00   0.00  -0.05     0.00   0.00   0.04    -0.01  -0.03  -0.00
     3   6    -0.01   0.01  -0.05    -0.01   0.01   0.03    -0.01  -0.03  -0.01
     4   6    -0.00   0.02  -0.03    -0.01   0.02   0.01    -0.01  -0.03  -0.00
     5   6     0.01   0.03  -0.03     0.01   0.02  -0.01    -0.01  -0.03  -0.00
     6   6     0.02   0.02  -0.03     0.02   0.02  -0.00    -0.01  -0.03  -0.00
     7   6    -0.01   0.01  -0.06    -0.01   0.02   0.05    -0.01  -0.02  -0.01
     8   6    -0.01   0.02  -0.06    -0.01   0.02   0.05    -0.00  -0.03  -0.01
     9   6    -0.01   0.03  -0.01    -0.01   0.02   0.01    -0.01  -0.04  -0.00
    10   6    -0.01   0.03  -0.01    -0.01   0.02  -0.01    -0.01  -0.03   0.00
    11   6    -0.01   0.01  -0.06    -0.01   0.02   0.05    -0.01  -0.01  -0.01
    12   6    -0.02   0.01  -0.07    -0.01   0.02   0.07     0.01   0.00  -0.02
    13   6    -0.02   0.01  -0.09    -0.01   0.02   0.10     0.02  -0.01  -0.02
    14   6    -0.02   0.02  -0.08    -0.01   0.02   0.09     0.02  -0.03  -0.02
    15   7    -0.00   0.02   0.04    -0.00   0.02  -0.03    -0.01  -0.03   0.01
    16   6    -0.00   0.02   0.09    -0.01   0.01  -0.07    -0.01  -0.02   0.01
    17   6    -0.01   0.02   0.06    -0.01   0.01  -0.06    -0.01  -0.02   0.01
    18   7    -0.01   0.02   0.02    -0.01   0.02  -0.03    -0.00  -0.03   0.00
    19   6     0.01   0.01   0.15     0.00   0.00  -0.11    -0.02  -0.01   0.02
    20   6     0.00   0.00   0.16     0.00  -0.01  -0.12    -0.02   0.00   0.02
    21   6    -0.01  -0.00   0.10    -0.01  -0.01  -0.08    -0.01   0.00   0.01
    22   6    -0.02   0.01   0.07    -0.02  -0.00  -0.06     0.00  -0.01   0.01
    23   6     0.04  -0.01  -0.01     0.04  -0.01   0.01    -0.01  -0.04   0.00
    24   6    -0.02   0.01  -0.03    -0.01   0.02   0.03     0.02   0.04  -0.01
    25   6    -0.02  -0.03   0.05    -0.02  -0.03  -0.04    -0.00   0.03   0.01
    26   6    -0.04   0.02  -0.01     0.02   0.03   0.03     0.06   0.06  -0.01
    27   6    -0.04   0.02   0.03     0.02   0.04  -0.02     0.07   0.10  -0.01
    28   6    -0.02   0.02   0.05    -0.01   0.04  -0.06     0.05   0.12  -0.01
    29   6     0.00   0.01   0.04    -0.04   0.03  -0.06     0.02   0.12   0.00
    30   6     0.00   0.01  -0.01    -0.04   0.02  -0.01     0.01   0.08  -0.00
    31   6     0.07   0.01   0.01     0.06  -0.02  -0.00     0.01  -0.05  -0.01
    32   6     0.08  -0.01   0.04     0.08  -0.04  -0.01     0.02  -0.06  -0.00
    33   6     0.08  -0.04   0.05     0.07  -0.05   0.00     0.01  -0.07   0.01
    34   6     0.06  -0.06   0.02     0.05  -0.05   0.01    -0.00  -0.07   0.02
    35   6     0.04  -0.05  -0.01     0.03  -0.03   0.01    -0.02  -0.06   0.02
    36   6    -0.03  -0.02   0.04     0.01  -0.06  -0.03    -0.02   0.05   0.00
    37   6    -0.04  -0.05  -0.02     0.01  -0.08   0.03    -0.01   0.07  -0.01
    38   6    -0.03  -0.07  -0.06    -0.03  -0.06   0.08     0.01   0.07  -0.02
    39   6    -0.02  -0.09  -0.06    -0.06  -0.03   0.06     0.03   0.06  -0.01
    40   6    -0.01  -0.07  -0.01    -0.05  -0.02   0.01     0.02   0.04   0.00
    41   7     0.07  -0.03   0.09     0.07  -0.04   0.02     0.01  -0.07   0.03
    42   7    -0.02   0.01   0.08    -0.01   0.04  -0.09     0.05   0.11  -0.04
    43   7    -0.02  -0.05  -0.08    -0.03  -0.07   0.13     0.01   0.07  -0.05
    44   6    -0.03   0.01   0.05    -0.02   0.03  -0.05    -0.01   0.08  -0.02
    45   6    -0.03   0.01  -0.01    -0.02   0.00   0.01    -0.01   0.01   0.03
    46   6    -0.02   0.01  -0.01    -0.02   0.00   0.01     0.04  -0.00   0.02
    47   6    -0.01   0.01   0.04    -0.01   0.02  -0.05     0.08   0.06  -0.02
    48   6     0.07   0.00   0.05     0.07  -0.00   0.00     0.01  -0.04   0.01
    49   6     0.03   0.03  -0.02     0.03   0.02  -0.02    -0.02  -0.03  -0.01
    50   6     0.01   0.01  -0.02     0.00  -0.00  -0.01    -0.04  -0.04  -0.01
    51   6     0.04  -0.03   0.04     0.03  -0.04   0.01    -0.02  -0.07   0.01
    52   6     0.01  -0.05  -0.04    -0.01  -0.04   0.07    -0.02   0.05  -0.03
    53   6     0.01  -0.01  -0.00     0.00   0.00  -0.02    -0.03   0.01   0.02
    54   6    -0.03  -0.00  -0.01    -0.02   0.01  -0.02     0.00   0.00   0.02
    55   6    -0.05  -0.03  -0.05    -0.04  -0.04   0.07     0.02   0.04  -0.03
    56   6    -0.01   0.01  -0.05    -0.02  -0.02   0.07     0.07  -0.07   0.06
    57   6     0.00   0.01  -0.04    -0.01  -0.02   0.06     0.13  -0.06   0.04
    58   6     0.00   0.01   0.01    -0.00   0.01  -0.01     0.16   0.00  -0.01
    59   6    -0.01   0.00   0.06    -0.00   0.03  -0.06     0.14   0.07  -0.04
    60   6    -0.04   0.01   0.06    -0.02   0.04  -0.07    -0.05   0.12  -0.04
    61   6    -0.05   0.02   0.02    -0.04   0.02  -0.02    -0.11   0.08  -0.01
    62   6    -0.04   0.02  -0.04    -0.04  -0.01   0.04    -0.11   0.00   0.04
    63   6    -0.03   0.02  -0.05    -0.03  -0.01   0.06    -0.06  -0.03   0.06
    64   6    -0.03   0.02  -0.08    -0.04   0.00  -0.03    -0.07  -0.04  -0.03
    65   6    -0.04  -0.01  -0.06    -0.05  -0.03  -0.02    -0.08  -0.06  -0.02
    66   6    -0.01  -0.05   0.01    -0.03  -0.07   0.01    -0.06  -0.09   0.01
    67   6     0.03  -0.06   0.07     0.01  -0.08   0.02    -0.03  -0.10   0.02
    68   6     0.11   0.01   0.07     0.10   0.02   0.01     0.03  -0.03   0.02
    69   6     0.09   0.06   0.02     0.10   0.06  -0.00     0.02  -0.01   0.00
    70   6     0.05   0.09  -0.05     0.06   0.08  -0.03    -0.00   0.01  -0.02
    71   6     0.02   0.07  -0.07     0.03   0.06  -0.03    -0.02  -0.00  -0.03
    72   6    -0.05   0.03   0.02    -0.02   0.05  -0.09     0.01  -0.03   0.05
    73   6    -0.09   0.03   0.01    -0.05   0.04  -0.07     0.04  -0.03   0.04
    74   6    -0.11   0.01  -0.03    -0.07  -0.00   0.03     0.06   0.01  -0.01
    75   6    -0.09  -0.02  -0.06    -0.06  -0.04   0.10     0.05   0.04  -0.04
    76   6     0.05  -0.07  -0.04     0.01  -0.06   0.09    -0.05   0.07  -0.04
    77   6     0.08  -0.06  -0.00     0.03  -0.03   0.02    -0.08   0.05  -0.01
    78   6     0.08  -0.03   0.04     0.04   0.02  -0.08    -0.08   0.00   0.04
    79   6     0.04  -0.00   0.04     0.03   0.03  -0.10    -0.06  -0.01   0.05
    80   1    -0.00   0.03   0.03    -0.00   0.02  -0.02    -0.01  -0.04   0.01
    81   1     0.00  -0.01  -0.06    -0.00  -0.01   0.05    -0.01  -0.03  -0.01
    82   1     0.02   0.04  -0.02     0.01   0.03  -0.02    -0.01  -0.03  -0.00
    83   1     0.03   0.02  -0.03     0.02   0.02  -0.01    -0.01  -0.03   0.00
    84   1    -0.01   0.01  -0.05    -0.01   0.01   0.03    -0.02   0.00  -0.01
    85   1    -0.02   0.01  -0.10    -0.01   0.02   0.12     0.04  -0.01  -0.02
    86   1    -0.02   0.02  -0.09    -0.01   0.02   0.11     0.02  -0.04  -0.02
    87   1     0.02   0.02   0.17     0.01   0.00  -0.13    -0.04  -0.02   0.03
    88   1     0.01  -0.01   0.19     0.01  -0.02  -0.14    -0.03   0.01   0.03
    89   1    -0.03   0.00   0.04    -0.03  -0.00  -0.04     0.01  -0.01   0.00
    90   1    -0.06   0.02  -0.03     0.04   0.04   0.06     0.07   0.04  -0.02
    91   1    -0.05   0.02   0.05     0.05   0.05  -0.02     0.09   0.10  -0.02
    92   1     0.02   0.01   0.06    -0.06   0.02  -0.09     0.01   0.14   0.00
    93   1     0.02   0.01  -0.02    -0.06   0.01  -0.01    -0.01   0.07   0.00
    94   1     0.07   0.04   0.01     0.06  -0.01  -0.01     0.02  -0.05  -0.02
    95   1     0.10   0.01   0.06     0.09  -0.04  -0.01     0.04  -0.06  -0.01
    96   1     0.05  -0.09   0.02     0.05  -0.06   0.01    -0.01  -0.07   0.03
    97   1     0.02  -0.06  -0.03     0.02  -0.03   0.02    -0.03  -0.05   0.02
    98   1    -0.04   0.00   0.08     0.04  -0.08  -0.06    -0.04   0.05   0.01
    99   1    -0.05  -0.04  -0.02     0.03  -0.10   0.04    -0.03   0.08  -0.02
   100   1    -0.02  -0.11  -0.10    -0.09  -0.02   0.10     0.05   0.06  -0.02
   101   1    -0.01  -0.08  -0.01    -0.08   0.01   0.00     0.03   0.02   0.01
   102   1    -0.01   0.02  -0.09    -0.02  -0.04   0.12     0.04  -0.12   0.09
   103   1     0.01   0.01  -0.08    -0.01  -0.03   0.10     0.15  -0.11   0.07
   104   1     0.01   0.00   0.02     0.00   0.01  -0.02     0.21   0.01  -0.03
   105   1    -0.00  -0.00   0.10     0.01   0.05  -0.12     0.17   0.12  -0.08
   106   1    -0.05   0.01   0.10    -0.02   0.06  -0.12    -0.05   0.17  -0.08
   107   1    -0.06   0.02   0.02    -0.04   0.03  -0.04    -0.14   0.10  -0.02
   108   1    -0.05   0.03  -0.07    -0.05  -0.02   0.08    -0.15  -0.03   0.07
   109   1    -0.03   0.02  -0.09    -0.04  -0.04   0.11    -0.07  -0.09   0.10
   110   1    -0.05   0.05  -0.13    -0.05   0.03  -0.04    -0.08  -0.02  -0.04
   111   1    -0.08   0.00  -0.10    -0.08  -0.03  -0.03    -0.10  -0.06  -0.03
   112   1    -0.02  -0.07   0.03    -0.04  -0.10   0.02    -0.07  -0.11   0.02
   113   1     0.05  -0.09   0.12     0.03  -0.11   0.04    -0.02  -0.12   0.04
   114   1     0.14  -0.01   0.12     0.13  -0.00   0.03     0.05  -0.05   0.04
   115   1     0.12   0.07   0.03     0.12   0.07   0.00     0.04  -0.00   0.01
   116   1     0.04   0.12  -0.09     0.06   0.12  -0.04    -0.01   0.03  -0.04
   117   1    -0.02   0.10  -0.12    -0.01   0.08  -0.05    -0.04   0.01  -0.05
   118   1    -0.04   0.05   0.06    -0.00   0.08  -0.16    -0.00  -0.06   0.08
   119   1    -0.11   0.06   0.04    -0.05   0.07  -0.12     0.05  -0.06   0.06
   120   1    -0.14   0.01  -0.03    -0.09  -0.01   0.05     0.09   0.01  -0.02
   121   1    -0.11  -0.04  -0.09    -0.08  -0.08   0.17     0.07   0.07  -0.08
   122   1     0.05  -0.10  -0.08     0.00  -0.10   0.17    -0.04   0.11  -0.08
   123   1     0.11  -0.08   0.00     0.05  -0.04   0.03    -0.10   0.06  -0.02
   124   1     0.11  -0.02   0.08     0.06   0.04  -0.15    -0.10  -0.01   0.06
   125   1     0.04   0.02   0.07     0.03   0.07  -0.18    -0.06  -0.05   0.08
   126  17     0.00   0.02  -0.04    -0.00   0.02   0.02    -0.01  -0.02  -0.00
                     16                     17                     18
                      A                      A                      A
 Frequencies --     64.5783                66.4955                71.5153
 Red. masses --      4.0012                 4.4001                 4.4283
 Frc consts  --      0.0098                 0.0115                 0.0133
 IR Inten    --      4.2420                 4.6203                 9.7163
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.01   0.04     0.01  -0.00  -0.07    -0.01   0.01   0.03
     2   6    -0.00   0.01   0.10     0.01  -0.00  -0.04    -0.00   0.02   0.04
     3   6    -0.00   0.01   0.07     0.01  -0.00  -0.02    -0.00   0.02   0.02
     4   6    -0.00   0.01   0.00     0.01  -0.00  -0.01    -0.00   0.02   0.02
     5   6    -0.00   0.01  -0.06     0.01  -0.00  -0.05    -0.01   0.01   0.01
     6   6    -0.00   0.01  -0.05     0.01  -0.00  -0.09    -0.01   0.02   0.00
     7   6    -0.00   0.01   0.07     0.01  -0.00   0.00     0.00   0.02  -0.01
     8   6    -0.00   0.01   0.00     0.01  -0.00   0.00     0.01   0.02  -0.01
     9   6    -0.00   0.01  -0.00     0.01  -0.00   0.01     0.01   0.01  -0.00
    10   6    -0.00   0.01  -0.01     0.01  -0.00   0.03     0.00   0.01   0.02
    11   6    -0.00   0.01   0.09     0.01  -0.00   0.01     0.00   0.02  -0.04
    12   6     0.00   0.01   0.02     0.02  -0.00   0.01    -0.01   0.02  -0.04
    13   6    -0.00   0.01  -0.07     0.01  -0.00   0.00    -0.00   0.02  -0.04
    14   6    -0.00   0.01  -0.07     0.01  -0.00   0.00    -0.00   0.02  -0.03
    15   7    -0.00   0.01   0.01     0.00   0.00  -0.00     0.02   0.01  -0.01
    16   6    -0.00   0.01   0.01     0.00   0.00   0.01     0.02  -0.00  -0.00
    17   6    -0.00   0.01  -0.02     0.00   0.01   0.07     0.01  -0.00   0.03
    18   7    -0.00   0.01  -0.03     0.01   0.00   0.08     0.00   0.01   0.04
    19   6    -0.00   0.01   0.04    -0.00   0.01  -0.06     0.02  -0.01  -0.03
    20   6    -0.00   0.01   0.04    -0.00   0.01  -0.05     0.02  -0.02  -0.03
    21   6    -0.00   0.01   0.00    -0.01   0.01   0.03     0.02  -0.02   0.01
    22   6    -0.00   0.01  -0.03     0.00   0.01   0.10     0.01  -0.01   0.04
    23   6    -0.00   0.01   0.03     0.00  -0.00  -0.05    -0.01   0.01   0.02
    24   6     0.00   0.01   0.02     0.02  -0.00   0.00    -0.01   0.01  -0.03
    25   6    -0.01   0.00   0.00    -0.01   0.01   0.03     0.02  -0.01   0.00
    26   6    -0.02  -0.08  -0.11     0.02  -0.03  -0.04    -0.02   0.09   0.08
    27   6    -0.02  -0.09  -0.12     0.02  -0.03  -0.04    -0.02   0.08   0.10
    28   6     0.00  -0.01  -0.01     0.03  -0.01  -0.00    -0.04   0.00   0.01
    29   6     0.02   0.08   0.11     0.03   0.02   0.04    -0.03  -0.08  -0.11
    30   6     0.02   0.09   0.13     0.03   0.02   0.04    -0.03  -0.07  -0.13
    31   6     0.05  -0.07  -0.10     0.03  -0.01  -0.07     0.06  -0.07  -0.12
    32   6     0.06  -0.07  -0.12     0.03  -0.00  -0.04     0.07  -0.08  -0.13
    33   6     0.00  -0.01  -0.02    -0.01   0.01   0.02     0.00  -0.02  -0.01
    34   6    -0.05   0.06   0.11    -0.04   0.02   0.04    -0.07   0.06   0.13
    35   6    -0.06   0.07   0.13    -0.03   0.01   0.01    -0.08   0.07   0.15
    36   6     0.01   0.03   0.05    -0.05  -0.10  -0.14     0.01  -0.03  -0.03
    37   6     0.01   0.03   0.05    -0.06  -0.12  -0.16     0.02  -0.02  -0.03
    38   6    -0.01  -0.01   0.00    -0.03  -0.01  -0.01     0.04   0.01  -0.00
    39   6    -0.02  -0.04  -0.05     0.01   0.11   0.15     0.05   0.02   0.03
    40   6    -0.02  -0.03  -0.05     0.02   0.12   0.18     0.04   0.01   0.04
    41   7     0.00  -0.01  -0.03    -0.00   0.01   0.05     0.00  -0.02  -0.01
    42   7     0.00  -0.01  -0.02     0.03  -0.01  -0.00    -0.04  -0.00   0.03
    43   7    -0.01  -0.01   0.00    -0.03  -0.01  -0.02     0.04   0.01  -0.01
    44   6     0.01  -0.01  -0.00     0.03  -0.01  -0.00    -0.04   0.00   0.01
    45   6     0.01  -0.01   0.01     0.03  -0.01   0.00    -0.04   0.01  -0.01
    46   6     0.00  -0.00  -0.01     0.03  -0.01  -0.00    -0.04   0.01   0.00
    47   6     0.00  -0.00  -0.02     0.03  -0.01  -0.00    -0.04  -0.00   0.02
    48   6     0.00  -0.00  -0.03    -0.01   0.00   0.03     0.00  -0.01  -0.02
    49   6     0.00  -0.00  -0.01    -0.00   0.00  -0.00    -0.00  -0.01  -0.01
    50   6    -0.00  -0.01   0.01     0.00   0.01   0.00    -0.01  -0.01   0.00
    51   6    -0.00  -0.01  -0.01     0.00   0.01   0.03    -0.00  -0.02  -0.00
    52   6    -0.00  -0.01   0.01    -0.02   0.00  -0.02     0.04   0.00  -0.01
    53   6    -0.00  -0.00   0.00    -0.02   0.01  -0.01     0.03  -0.01   0.00
    54   6    -0.01   0.00  -0.01    -0.04   0.00   0.01     0.04  -0.01   0.01
    55   6    -0.01  -0.00  -0.00    -0.04  -0.00  -0.01     0.05  -0.00  -0.00
    56   6     0.01  -0.00  -0.02     0.03  -0.01  -0.01    -0.04   0.02  -0.00
    57   6     0.01   0.00  -0.03     0.03  -0.01  -0.01    -0.06   0.02   0.01
    58   6     0.01   0.00  -0.03     0.03  -0.01  -0.01    -0.06   0.01   0.03
    59   6     0.01  -0.00  -0.02     0.03  -0.01  -0.00    -0.06  -0.00   0.03
    60   6     0.02  -0.02  -0.00     0.04  -0.02  -0.00    -0.05   0.01   0.02
    61   6     0.03  -0.02   0.02     0.04  -0.02   0.01    -0.05   0.01  -0.01
    62   6     0.03  -0.02   0.04     0.04  -0.01   0.01    -0.05   0.02  -0.04
    63   6     0.02  -0.01   0.03     0.04  -0.01   0.01    -0.04   0.01  -0.04
    64   6    -0.01  -0.01   0.04     0.01   0.01  -0.01    -0.02  -0.02   0.03
    65   6    -0.02  -0.03   0.05     0.01   0.01  -0.01    -0.03  -0.04   0.04
    66   6    -0.02  -0.03   0.02     0.01   0.02   0.02    -0.03  -0.05   0.02
    67   6    -0.01  -0.03  -0.01     0.01   0.01   0.04    -0.01  -0.04  -0.00
    68   6    -0.00   0.00  -0.03    -0.02  -0.01   0.03     0.00  -0.01  -0.01
    69   6    -0.00   0.00  -0.03    -0.02  -0.01   0.01    -0.00  -0.01  -0.02
    70   6    -0.00   0.00  -0.02    -0.02  -0.01  -0.03    -0.01  -0.00  -0.03
    71   6     0.00  -0.00  -0.01    -0.01  -0.00  -0.03    -0.01  -0.00  -0.02
    72   6    -0.01   0.01  -0.02    -0.05   0.02   0.04     0.04  -0.02   0.02
    73   6    -0.01   0.01  -0.02    -0.07   0.01   0.06     0.05  -0.02   0.02
    74   6    -0.01   0.00  -0.01    -0.08   0.01   0.03     0.06  -0.01   0.00
    75   6    -0.01  -0.00  -0.00    -0.07  -0.00  -0.00     0.06   0.00  -0.01
    76   6     0.00  -0.01   0.01    -0.03   0.00  -0.03     0.03   0.01  -0.01
    77   6     0.01  -0.01   0.01    -0.03   0.01  -0.04     0.02   0.01  -0.01
    78   6     0.01  -0.00   0.01    -0.03   0.01  -0.04     0.02  -0.00  -0.01
    79   6     0.00   0.00   0.01    -0.03   0.01  -0.03     0.03  -0.01   0.00
    80   1    -0.00   0.01   0.01     0.00   0.00  -0.01     0.02   0.01  -0.01
    81   1     0.00   0.01   0.17     0.01  -0.00  -0.04    -0.00   0.03   0.07
    82   1    -0.00   0.01  -0.12     0.01  -0.00  -0.06    -0.01   0.01   0.00
    83   1    -0.00   0.01  -0.11     0.01  -0.00  -0.12    -0.00   0.02  -0.02
    84   1    -0.00   0.01   0.16     0.01   0.00   0.01     0.01   0.01  -0.05
    85   1    -0.00   0.01  -0.13     0.01  -0.00  -0.00     0.00   0.02  -0.04
    86   1    -0.00   0.01  -0.13     0.01  -0.00   0.00    -0.00   0.02  -0.04
    87   1    -0.00   0.01   0.07    -0.01   0.00  -0.11     0.03  -0.01  -0.06
    88   1    -0.00   0.01   0.07     0.00   0.01  -0.11     0.02  -0.02  -0.06
    89   1    -0.01   0.01  -0.06     0.01   0.01   0.16     0.00  -0.01   0.07
    90   1    -0.03  -0.15  -0.20     0.01  -0.05  -0.06    -0.02   0.16   0.15
    91   1    -0.04  -0.16  -0.21     0.01  -0.06  -0.07    -0.01   0.14   0.19
    92   1     0.03   0.15   0.19     0.03   0.04   0.06    -0.03  -0.15  -0.17
    93   1     0.04   0.16   0.22     0.04   0.04   0.07    -0.04  -0.13  -0.21
    94   1     0.10  -0.12  -0.18     0.06  -0.02  -0.12     0.11  -0.13  -0.21
    95   1     0.11  -0.12  -0.20     0.05  -0.01  -0.05     0.14  -0.14  -0.23
    96   1    -0.09   0.12   0.17    -0.06   0.03   0.09    -0.11   0.12   0.21
    97   1    -0.10   0.12   0.22    -0.06   0.02   0.02    -0.14   0.13   0.25
    98   1     0.02   0.06   0.08    -0.09  -0.19  -0.25     0.00  -0.05  -0.05
    99   1     0.01   0.05   0.08    -0.08  -0.21  -0.28     0.01  -0.03  -0.05
   100   1    -0.03  -0.06  -0.08     0.05   0.19   0.25     0.06   0.04   0.05
   101   1    -0.03  -0.06  -0.08     0.04   0.21   0.30     0.06   0.02   0.06
   102   1     0.00  -0.00  -0.02     0.03  -0.01  -0.01    -0.04   0.03  -0.01
   103   1     0.01   0.01  -0.04     0.03  -0.01  -0.01    -0.06   0.03   0.01
   104   1     0.01   0.00  -0.04     0.03  -0.01  -0.01    -0.07   0.00   0.04
   105   1     0.01   0.00  -0.02     0.03  -0.01  -0.00    -0.07  -0.02   0.04
   106   1     0.03  -0.03  -0.03     0.04  -0.02  -0.01    -0.05   0.01   0.06
   107   1     0.04  -0.03   0.03     0.05  -0.02   0.01    -0.06   0.01  -0.00
   108   1     0.04  -0.02   0.07     0.05  -0.01   0.02    -0.05   0.02  -0.07
   109   1     0.02   0.00   0.05     0.04  -0.00   0.01    -0.04   0.01  -0.07
   110   1    -0.01  -0.01   0.06     0.00   0.01  -0.04    -0.03  -0.01   0.04
   111   1    -0.02  -0.03   0.07     0.01   0.02  -0.02    -0.04  -0.04   0.06
   112   1    -0.02  -0.04   0.02     0.02   0.02   0.03    -0.03  -0.06   0.03
   113   1    -0.01  -0.04  -0.04     0.01   0.01   0.06    -0.01  -0.06  -0.02
   114   1    -0.01   0.00  -0.03    -0.02  -0.01   0.06    -0.00  -0.01  -0.00
   115   1    -0.00   0.01  -0.04    -0.03  -0.02   0.01     0.00  -0.00  -0.03
   116   1    -0.00   0.00  -0.03    -0.02  -0.02  -0.05    -0.01   0.00  -0.04
   117   1     0.00  -0.00   0.00    -0.01  -0.01  -0.06    -0.01  -0.00  -0.02
   118   1    -0.01   0.01  -0.02    -0.04   0.03   0.06     0.04  -0.03   0.03
   119   1    -0.01   0.01  -0.03    -0.08   0.02   0.08     0.06  -0.03   0.03
   120   1    -0.02   0.00  -0.01    -0.09   0.01   0.03     0.07  -0.01  -0.00
   121   1    -0.01  -0.01   0.01    -0.08  -0.02  -0.03     0.06   0.01  -0.02
   122   1     0.00  -0.02   0.01    -0.03   0.01  -0.02     0.03   0.02  -0.02
   123   1     0.01  -0.01   0.02    -0.02   0.01  -0.04     0.02   0.01  -0.02
   124   1     0.01  -0.00   0.02    -0.02   0.02  -0.05     0.02  -0.01  -0.01
   125   1     0.00   0.01   0.00    -0.03   0.00  -0.03     0.03  -0.02   0.01
   126  17     0.00   0.01  -0.02     0.00   0.00   0.02     0.04   0.00   0.01
                     19                     20                     21
                      A                      A                      A
 Frequencies --     77.5617                85.3777                88.4933
 Red. masses --      5.7339                 6.8413                 5.1613
 Frc consts  --      0.0203                 0.0294                 0.0238
 IR Inten    --      1.0486                 2.8770                 3.2696
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05   0.03  -0.06    -0.08   0.07   0.06    -0.02   0.01  -0.09
     2   6    -0.04   0.04  -0.05    -0.06   0.07   0.02    -0.01   0.02  -0.14
     3   6    -0.04   0.03  -0.00    -0.03   0.06  -0.01    -0.01   0.02  -0.05
     4   6    -0.04   0.02   0.00    -0.04   0.03  -0.02    -0.01   0.02   0.07
     5   6    -0.04   0.02  -0.03    -0.07   0.03   0.02    -0.01   0.02   0.11
     6   6    -0.05   0.03  -0.06    -0.08   0.05   0.06    -0.02   0.02   0.02
     7   6    -0.02   0.04   0.03     0.00   0.06  -0.02     0.00   0.02  -0.04
     8   6    -0.01   0.03   0.01     0.02   0.05   0.01    -0.00   0.02   0.03
     9   6    -0.01   0.02   0.01     0.00   0.03   0.00    -0.00   0.02   0.05
    10   6    -0.02   0.01   0.03    -0.02   0.02  -0.04    -0.00   0.02   0.11
    11   6    -0.02   0.05   0.07     0.02   0.09  -0.05     0.01   0.02  -0.08
    12   6    -0.02   0.05   0.05     0.05   0.10  -0.01     0.01   0.02  -0.03
    13   6    -0.02   0.04   0.01     0.06   0.09   0.03     0.01   0.03   0.04
    14   6    -0.01   0.03  -0.00     0.05   0.06   0.04     0.01   0.02   0.07
    15   7     0.01  -0.01  -0.01     0.01   0.01   0.03    -0.01   0.03  -0.00
    16   6     0.01  -0.03  -0.01     0.00  -0.01   0.02    -0.01   0.03  -0.01
    17   6    -0.01  -0.03   0.04    -0.02  -0.02  -0.06    -0.01   0.03   0.09
    18   7    -0.03  -0.01   0.06    -0.03  -0.00  -0.09    -0.00   0.03   0.16
    19   6     0.02  -0.05  -0.06     0.01  -0.01   0.09    -0.01   0.03  -0.14
    20   6     0.02  -0.07  -0.05     0.00  -0.03   0.07    -0.01   0.03  -0.15
    21   6     0.01  -0.07   0.00    -0.02  -0.03  -0.02    -0.00   0.03  -0.03
    22   6    -0.01  -0.05   0.05    -0.02  -0.03  -0.09    -0.01   0.04   0.08
    23   6    -0.03   0.02  -0.06    -0.07   0.05   0.06    -0.02   0.00  -0.10
    24   6    -0.03   0.04   0.05     0.05   0.08  -0.01     0.02   0.02  -0.04
    25   6     0.02  -0.05  -0.00    -0.03  -0.03  -0.03    -0.00   0.03  -0.03
    26   6    -0.06  -0.04  -0.06     0.02   0.08   0.02     0.01   0.01  -0.04
    27   6    -0.07  -0.07  -0.09     0.01   0.01   0.01     0.00  -0.01  -0.03
    28   6    -0.06  -0.01  -0.02     0.03  -0.05  -0.02     0.03  -0.01  -0.00
    29   6    -0.03   0.07   0.09     0.07  -0.05  -0.04     0.04  -0.00   0.00
    30   6    -0.02   0.09   0.12     0.08   0.01  -0.04     0.04   0.01  -0.02
    31   6    -0.03   0.07   0.01    -0.05   0.05   0.06     0.02  -0.00  -0.12
    32   6    -0.00   0.04   0.04    -0.01   0.00   0.02     0.02  -0.01  -0.06
    33   6     0.01  -0.02   0.01     0.01  -0.05  -0.02    -0.02  -0.02   0.01
    34   6     0.01  -0.07  -0.07    -0.01  -0.05  -0.02    -0.06  -0.01   0.01
    35   6    -0.01  -0.05  -0.10    -0.06  -0.00   0.02    -0.06  -0.01  -0.04
    36   6     0.01  -0.05  -0.02    -0.05  -0.02  -0.04     0.03   0.08   0.07
    37   6     0.02  -0.00  -0.01    -0.04   0.00  -0.02     0.03   0.07   0.09
    38   6     0.06   0.02   0.01    -0.03   0.03   0.01    -0.00  -0.00  -0.00
    39   6     0.08   0.02   0.03    -0.02   0.03   0.03    -0.04  -0.06  -0.11
    40   6     0.06  -0.02   0.03    -0.02  -0.00   0.00    -0.03  -0.05  -0.12
    41   7     0.02  -0.03   0.05     0.02  -0.06  -0.04    -0.01  -0.03   0.06
    42   7    -0.06  -0.01  -0.03     0.03  -0.07   0.01     0.03  -0.02   0.02
    43   7     0.07   0.03  -0.01    -0.03   0.04   0.02    -0.01  -0.01   0.02
    44   6    -0.05  -0.01  -0.02     0.06  -0.07   0.00     0.03  -0.02   0.01
    45   6    -0.05   0.01  -0.00     0.06  -0.03  -0.03     0.03  -0.01  -0.01
    46   6    -0.07   0.01  -0.02     0.04  -0.02  -0.03     0.03  -0.01  -0.01
    47   6    -0.07   0.00  -0.03     0.02  -0.06   0.00     0.03  -0.02   0.01
    48   6     0.02  -0.02   0.03     0.03  -0.04  -0.02    -0.02  -0.03   0.04
    49   6     0.00  -0.00  -0.01    -0.00  -0.02  -0.02    -0.03  -0.02  -0.01
    50   6    -0.01  -0.01  -0.02    -0.02  -0.04  -0.03    -0.02  -0.02  -0.01
    51   6     0.01  -0.03   0.03    -0.01  -0.07  -0.03    -0.02  -0.03   0.04
    52   6     0.05   0.03  -0.01    -0.05   0.04   0.01    -0.00  -0.01   0.01
    53   6     0.05  -0.00   0.02    -0.05   0.02   0.01    -0.00  -0.00  -0.00
    54   6     0.07  -0.01   0.02    -0.04   0.02   0.01    -0.00   0.00  -0.01
    55   6     0.09   0.02  -0.00    -0.03   0.03   0.01    -0.01  -0.01   0.01
    56   6    -0.08   0.03  -0.01     0.03  -0.00  -0.03     0.03  -0.01  -0.02
    57   6    -0.10   0.03  -0.02     0.00  -0.01   0.00     0.04  -0.01  -0.01
    58   6    -0.10   0.02  -0.02    -0.02  -0.05   0.04     0.03  -0.02   0.02
    59   6    -0.09  -0.00  -0.02    -0.00  -0.07   0.04     0.03  -0.02   0.03
    60   6    -0.04  -0.02  -0.01     0.09  -0.10   0.04     0.04  -0.03   0.03
    61   6    -0.03  -0.02   0.01     0.12  -0.08   0.03     0.05  -0.02   0.02
    62   6    -0.03  -0.00   0.03     0.13  -0.03  -0.01     0.05  -0.01  -0.01
    63   6    -0.04   0.01   0.02     0.10  -0.00  -0.04     0.04  -0.00  -0.02
    64   6    -0.02  -0.01  -0.05    -0.06  -0.04  -0.01    -0.03  -0.01  -0.04
    65   6    -0.02  -0.02  -0.03    -0.08  -0.08   0.00    -0.03  -0.02  -0.01
    66   6    -0.01  -0.04   0.02    -0.06  -0.11   0.01    -0.02  -0.03   0.04
    67   6     0.01  -0.04   0.05    -0.02  -0.11  -0.00    -0.01  -0.04   0.07
    68   6     0.04  -0.01   0.05     0.06  -0.03  -0.00    -0.02  -0.04   0.07
    69   6     0.04   0.00   0.04     0.06  -0.00   0.02    -0.03  -0.05   0.04
    70   6     0.02   0.02  -0.01     0.03   0.02   0.01    -0.04  -0.04  -0.02
    71   6    -0.00   0.02  -0.03    -0.00   0.00  -0.01    -0.03  -0.03  -0.05
    72   6     0.09  -0.04   0.03    -0.04   0.02   0.01    -0.00   0.00  -0.03
    73   6     0.12  -0.04   0.02    -0.03   0.02  -0.00    -0.00   0.00  -0.03
    74   6     0.14  -0.01  -0.01    -0.02   0.03  -0.01    -0.00  -0.01   0.01
    75   6     0.12   0.02  -0.02    -0.03   0.03   0.00    -0.01  -0.01   0.03
    76   6     0.04   0.04  -0.03    -0.07   0.05   0.00     0.01  -0.02   0.02
    77   6     0.02   0.03  -0.03    -0.09   0.04  -0.01     0.01  -0.02   0.03
    78   6     0.02   0.00  -0.00    -0.09   0.02  -0.01     0.01  -0.01   0.02
    79   6     0.03  -0.01   0.02    -0.07   0.01   0.00     0.01   0.00   0.00
    80   1     0.03   0.00  -0.01     0.04   0.01   0.03    -0.01   0.02  -0.02
    81   1    -0.04   0.04  -0.07    -0.05   0.09   0.02    -0.01   0.02  -0.23
    82   1    -0.04   0.02  -0.03    -0.07   0.01   0.02    -0.01   0.01   0.19
    83   1    -0.06   0.03  -0.08    -0.10   0.04   0.09    -0.01   0.02   0.05
    84   1    -0.03   0.05   0.11     0.00   0.11  -0.09    -0.00   0.03  -0.12
    85   1    -0.01   0.04  -0.01     0.07   0.09   0.06     0.01   0.03   0.08
    86   1    -0.01   0.03  -0.02     0.07   0.05   0.06     0.01   0.02   0.13
    87   1     0.04  -0.04  -0.09     0.02  -0.01   0.15    -0.01   0.02  -0.22
    88   1     0.02  -0.07  -0.09     0.01  -0.04   0.12    -0.02   0.04  -0.24
    89   1    -0.02  -0.05   0.10    -0.03  -0.03  -0.14    -0.01   0.04   0.16
    90   1    -0.07  -0.08  -0.12     0.01   0.12   0.04    -0.00   0.01  -0.05
    91   1    -0.09  -0.13  -0.17    -0.03   0.01   0.03    -0.02  -0.02  -0.03
    92   1    -0.02   0.11   0.14     0.08  -0.09  -0.06     0.05   0.00   0.02
    93   1    -0.01   0.15   0.20     0.11   0.01  -0.06     0.06   0.02  -0.02
    94   1    -0.04   0.12   0.04    -0.07   0.08   0.09     0.04  -0.00  -0.15
    95   1    -0.00   0.08   0.10     0.01   0.00   0.02     0.06  -0.00  -0.07
    96   1     0.02  -0.12  -0.09     0.00  -0.08  -0.05    -0.09  -0.01   0.06
    97   1    -0.02  -0.08  -0.15    -0.07  -0.00   0.02    -0.10  -0.01  -0.04
    98   1    -0.02  -0.07  -0.04    -0.06  -0.04  -0.06     0.07   0.13   0.13
    99   1     0.00   0.01  -0.03    -0.04  -0.00  -0.03     0.05   0.12   0.16
   100   1     0.10   0.04   0.04     0.00   0.05   0.05    -0.08  -0.12  -0.17
   101   1     0.09  -0.03   0.04    -0.02   0.00   0.01    -0.05  -0.09  -0.19
   102   1    -0.07   0.04  -0.01     0.04   0.02  -0.06     0.03  -0.01  -0.04
   103   1    -0.10   0.05  -0.02    -0.01   0.01   0.00     0.04  -0.01  -0.01
   104   1    -0.12   0.02  -0.02    -0.04  -0.05   0.08     0.03  -0.03   0.04
   105   1    -0.10  -0.01  -0.02    -0.02  -0.09   0.07     0.03  -0.03   0.05
   106   1    -0.03  -0.03  -0.03     0.09  -0.14   0.08     0.04  -0.04   0.05
   107   1    -0.01  -0.02   0.02     0.14  -0.10   0.07     0.05  -0.03   0.04
   108   1    -0.02  -0.00   0.06     0.15  -0.01  -0.02     0.06  -0.00  -0.01
   109   1    -0.04   0.02   0.04     0.10   0.03  -0.07     0.05   0.01  -0.04
   110   1    -0.04   0.01  -0.09    -0.08  -0.02  -0.01    -0.04  -0.00  -0.07
   111   1    -0.04  -0.01  -0.06    -0.10  -0.08   0.01    -0.04  -0.02  -0.03
   112   1    -0.01  -0.05   0.04    -0.07  -0.14   0.03    -0.01  -0.04   0.07
   113   1     0.02  -0.06   0.10    -0.00  -0.14   0.01    -0.00  -0.05   0.10
   114   1     0.06  -0.03   0.08     0.08  -0.04  -0.00    -0.02  -0.05   0.12
   115   1     0.05   0.01   0.06     0.08   0.01   0.03    -0.03  -0.05   0.07
   116   1     0.01   0.03  -0.02     0.03   0.04   0.03    -0.04  -0.04  -0.05
   117   1    -0.02   0.03  -0.06    -0.02   0.02  -0.01    -0.03  -0.02  -0.09
   118   1     0.07  -0.07   0.05    -0.04   0.01   0.01    -0.00   0.01  -0.06
   119   1     0.13  -0.07   0.03    -0.02   0.01  -0.01     0.00   0.01  -0.04
   120   1     0.16  -0.01  -0.03    -0.01   0.03  -0.01    -0.00  -0.01   0.02
   121   1     0.14   0.05  -0.05    -0.02   0.04  -0.01    -0.00  -0.02   0.06
   122   1     0.04   0.06  -0.05    -0.07   0.07   0.00     0.01  -0.03   0.02
   123   1     0.01   0.04  -0.05    -0.10   0.05  -0.01     0.02  -0.02   0.04
   124   1     0.00  -0.01  -0.00    -0.10   0.02  -0.01     0.02  -0.00   0.02
   125   1     0.03  -0.03   0.04    -0.07  -0.01  -0.00     0.01   0.01  -0.01
   126  17     0.08  -0.01   0.01     0.15   0.02  -0.02    -0.02   0.04   0.02
                     22                     23                     24
                      A                      A                      A
 Frequencies --     95.5694               102.4249               108.2639
 Red. masses --      5.6463                 7.5314                 4.6266
 Frc consts  --      0.0304                 0.0466                 0.0320
 IR Inten    --      0.9450                 0.6364                 1.6755
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.01  -0.01     0.03  -0.02  -0.04    -0.00  -0.00  -0.03
     2   6     0.01  -0.01  -0.02     0.00  -0.03   0.02     0.00  -0.00   0.06
     3   6     0.00  -0.01  -0.01    -0.01  -0.03   0.05     0.01  -0.00   0.09
     4   6     0.00  -0.00   0.02    -0.01  -0.04   0.06     0.01  -0.00   0.04
     5   6     0.01  -0.00   0.03     0.01  -0.03  -0.01     0.00  -0.01  -0.06
     6   6     0.01  -0.00   0.02     0.02  -0.03  -0.07    -0.00  -0.01  -0.09
     7   6    -0.00  -0.01  -0.02    -0.01  -0.03   0.05     0.01   0.00   0.09
     8   6    -0.01  -0.00   0.10    -0.01  -0.04   0.03     0.01  -0.00  -0.00
     9   6     0.00   0.00   0.13    -0.01  -0.05   0.06     0.01  -0.00   0.04
    10   6     0.00   0.00   0.04    -0.02  -0.05   0.08     0.01  -0.00   0.05
    11   6    -0.01  -0.02  -0.13    -0.01  -0.03   0.03     0.01   0.00   0.13
    12   6    -0.01  -0.02  -0.11    -0.00  -0.03  -0.03     0.01   0.00   0.01
    13   6    -0.02  -0.01   0.02     0.00  -0.03  -0.07     0.01  -0.00  -0.15
    14   6    -0.02  -0.00   0.13     0.00  -0.04  -0.04     0.01  -0.01  -0.15
    15   7     0.00   0.00   0.18    -0.00  -0.06   0.04     0.01   0.00   0.06
    16   6     0.00   0.00   0.11    -0.01  -0.08   0.02     0.01   0.01   0.06
    17   6     0.00  -0.00  -0.02    -0.03  -0.08   0.05     0.01   0.01   0.03
    18   7     0.00  -0.00  -0.04    -0.03  -0.07   0.09     0.01   0.01   0.04
    19   6     0.01  -0.00   0.14    -0.01  -0.09  -0.04     0.00   0.02   0.06
    20   6     0.01  -0.01   0.02    -0.02  -0.10  -0.07     0.00   0.03   0.01
    21   6     0.01  -0.01  -0.11    -0.04  -0.10  -0.05     0.01   0.03  -0.04
    22   6     0.00  -0.01  -0.14    -0.04  -0.10   0.01     0.01   0.02  -0.02
    23   6     0.01  -0.01  -0.01     0.04  -0.01  -0.06    -0.01  -0.01  -0.05
    24   6    -0.02  -0.02  -0.13    -0.00  -0.02  -0.03     0.01   0.00   0.02
    25   6     0.01  -0.02  -0.13    -0.05  -0.09  -0.06     0.01   0.03  -0.06
    26   6    -0.05  -0.05  -0.17    -0.00  -0.01  -0.01     0.01   0.03   0.06
    27   6    -0.04  -0.03  -0.10     0.00   0.01   0.01     0.01   0.03   0.06
    28   6    -0.01   0.02   0.01    -0.00   0.01   0.00    -0.00  -0.01   0.01
    29   6     0.02   0.05   0.03    -0.01  -0.02  -0.03    -0.01  -0.04  -0.03
    30   6     0.01   0.02  -0.05    -0.01  -0.03  -0.05    -0.00  -0.03  -0.02
    31   6     0.01  -0.01  -0.02     0.07  -0.02  -0.08    -0.02   0.01  -0.01
    32   6     0.01  -0.01  -0.01     0.05   0.01  -0.04    -0.03   0.02   0.01
    33   6    -0.00   0.00   0.00     0.03   0.05   0.00    -0.02  -0.00  -0.02
    34   6    -0.00   0.01   0.01     0.01   0.05   0.01     0.00  -0.02  -0.06
    35   6     0.00   0.00   0.00     0.02   0.03  -0.02     0.01  -0.03  -0.07
    36   6     0.02  -0.06  -0.16    -0.05  -0.02   0.02     0.01   0.03  -0.06
    37   6     0.03  -0.05  -0.09    -0.04   0.04   0.06     0.01   0.02  -0.05
    38   6     0.02   0.01   0.00    -0.04   0.02   0.03     0.00   0.02  -0.04
    39   6     0.00   0.05   0.02    -0.04  -0.06  -0.06    -0.00   0.03  -0.05
    40   6    -0.00   0.03  -0.05    -0.05  -0.12  -0.10     0.00   0.03  -0.06
    41   7    -0.00   0.01   0.01     0.04   0.06   0.03    -0.02  -0.00  -0.01
    42   7    -0.02   0.02   0.07    -0.00   0.01   0.02    -0.00  -0.01  -0.00
    43   7     0.02   0.00   0.07    -0.05   0.05   0.05     0.00   0.01  -0.03
    44   6    -0.03   0.02   0.05    -0.01   0.01   0.01     0.00  -0.00   0.00
    45   6    -0.02   0.02  -0.00    -0.01   0.00   0.00     0.00  -0.01   0.02
    46   6    -0.01   0.01  -0.01    -0.00   0.00   0.00    -0.00  -0.01   0.02
    47   6    -0.00   0.02   0.05     0.00   0.01   0.01    -0.00  -0.00  -0.00
    48   6    -0.00   0.00   0.00     0.04   0.06   0.02    -0.02  -0.01  -0.01
    49   6    -0.00   0.00   0.00     0.05   0.06   0.00    -0.02  -0.01  -0.04
    50   6     0.00   0.00   0.00     0.06   0.06   0.01    -0.02  -0.00  -0.05
    51   6     0.00   0.01   0.00     0.05   0.07   0.02    -0.02  -0.00  -0.01
    52   6     0.01   0.01   0.04    -0.07   0.05   0.04    -0.00   0.01  -0.03
    53   6     0.02   0.01  -0.01    -0.07   0.02   0.05     0.00   0.03  -0.10
    54   6     0.03   0.00  -0.01    -0.05   0.02   0.04     0.01   0.02  -0.10
    55   6     0.03  -0.00   0.05    -0.04   0.04   0.04     0.00   0.01  -0.03
    56   6     0.00   0.01  -0.05     0.00   0.00  -0.00    -0.01  -0.00   0.03
    57   6     0.02   0.00  -0.03     0.00   0.00  -0.00    -0.01   0.01  -0.00
    58   6     0.02   0.00   0.04     0.01   0.00   0.01    -0.01   0.01  -0.03
    59   6     0.01   0.01   0.08     0.00   0.01   0.01    -0.01   0.00  -0.03
    60   6    -0.05   0.02   0.07    -0.02   0.01   0.02     0.00   0.00  -0.02
    61   6    -0.06   0.02   0.05    -0.02   0.01   0.00     0.00   0.01  -0.03
    62   6    -0.06   0.02  -0.00    -0.02   0.01  -0.01     0.00   0.00  -0.02
    63   6    -0.04   0.01  -0.03    -0.01   0.00  -0.01     0.00  -0.01   0.01
    64   6     0.01   0.00   0.00     0.09   0.06  -0.00    -0.02  -0.00  -0.04
    65   6     0.01   0.01  -0.00     0.10   0.08   0.00    -0.01  -0.01   0.02
    66   6     0.00   0.01  -0.00     0.09   0.10   0.01     0.00  -0.02   0.07
    67   6     0.00   0.01   0.00     0.07   0.10   0.02    -0.00  -0.02   0.05
    68   6    -0.01   0.00   0.00     0.05   0.06   0.02    -0.02  -0.02   0.05
    69   6    -0.01  -0.00  -0.00     0.05   0.07   0.00    -0.01  -0.04   0.07
    70   6    -0.01  -0.00  -0.00     0.04   0.07  -0.02    -0.01  -0.03   0.03
    71   6    -0.00  -0.00  -0.00     0.04   0.07  -0.02    -0.02  -0.02  -0.03
    72   6     0.04  -0.01  -0.03    -0.05   0.02   0.01     0.01   0.02  -0.08
    73   6     0.05  -0.02  -0.00    -0.03   0.04  -0.04    -0.01  -0.02   0.05
    74   6     0.05  -0.02   0.06    -0.02   0.05  -0.05    -0.01  -0.04   0.15
    75   6     0.04  -0.01   0.08    -0.03   0.05  -0.00    -0.01  -0.03   0.10
    76   6    -0.00   0.00   0.08    -0.10   0.08  -0.01    -0.02  -0.02   0.10
    77   6    -0.01   0.01   0.05    -0.13   0.07  -0.04    -0.02  -0.04   0.15
    78   6    -0.01   0.01  -0.03    -0.13   0.04  -0.01    -0.01  -0.02   0.05
    79   6     0.01   0.01  -0.05    -0.10   0.01   0.03    -0.00   0.02  -0.08
    80   1    -0.00   0.01   0.15     0.02  -0.05   0.03     0.01   0.00   0.06
    81   1     0.01  -0.01  -0.03    -0.00  -0.05   0.03     0.00  -0.00   0.09
    82   1     0.01   0.00   0.06     0.01  -0.01  -0.02     0.00  -0.01  -0.11
    83   1     0.02  -0.00   0.03     0.01  -0.03  -0.12    -0.00  -0.01  -0.17
    84   1    -0.00  -0.02  -0.23    -0.01  -0.03   0.05     0.01  -0.00   0.22
    85   1    -0.03  -0.01   0.04     0.00  -0.03  -0.12     0.02  -0.00  -0.26
    86   1    -0.02   0.00   0.22     0.01  -0.04  -0.06     0.01  -0.01  -0.25
    87   1     0.01   0.00   0.23     0.00  -0.09  -0.06    -0.01   0.02   0.08
    88   1     0.02  -0.01   0.03    -0.01  -0.11  -0.11     0.00   0.03  -0.01
    89   1     0.00  -0.01  -0.23    -0.05  -0.10   0.03     0.02   0.02  -0.04
    90   1    -0.07  -0.09  -0.23    -0.00   0.00  -0.00     0.01   0.06   0.09
    91   1    -0.07  -0.05  -0.11     0.01   0.03   0.03     0.02   0.05   0.09
    92   1     0.05   0.09   0.10    -0.00  -0.03  -0.04    -0.01  -0.07  -0.07
    93   1     0.04   0.04  -0.03    -0.02  -0.04  -0.06    -0.02  -0.05  -0.04
    94   1     0.02  -0.02  -0.03     0.09  -0.03  -0.12    -0.03   0.03   0.01
    95   1     0.01  -0.01  -0.02     0.05  -0.00  -0.06    -0.05   0.04   0.04
    96   1    -0.01   0.02   0.02    -0.01   0.05   0.05     0.01  -0.04  -0.08
    97   1     0.00   0.00   0.01     0.02   0.04   0.00     0.02  -0.04  -0.10
    98   1     0.03  -0.10  -0.22    -0.07  -0.00   0.04     0.02   0.03  -0.06
    99   1     0.04  -0.08  -0.10    -0.03   0.09   0.11     0.02   0.02  -0.04
   100   1    -0.00   0.09   0.09    -0.03  -0.08  -0.09    -0.01   0.03  -0.04
   101   1    -0.01   0.07  -0.04    -0.06  -0.17  -0.15    -0.00   0.04  -0.06
   102   1    -0.00   0.01  -0.10     0.00   0.00  -0.01    -0.01  -0.00   0.05
   103   1     0.03   0.00  -0.06     0.01  -0.00  -0.00    -0.01   0.01   0.00
   104   1     0.04  -0.01   0.06     0.01   0.00   0.01    -0.01   0.02  -0.06
   105   1     0.02   0.01   0.13     0.00   0.01   0.02    -0.01   0.01  -0.05
   106   1    -0.05   0.02   0.10    -0.02   0.02   0.02     0.00   0.01  -0.03
   107   1    -0.07   0.02   0.07    -0.03   0.01   0.01     0.01   0.01  -0.06
   108   1    -0.07   0.01  -0.02    -0.03   0.01  -0.02     0.00   0.01  -0.03
   109   1    -0.03   0.01  -0.07    -0.01  -0.00  -0.02    -0.00  -0.01   0.02
   110   1     0.01   0.00   0.00     0.10   0.04  -0.02    -0.03   0.00  -0.08
   111   1     0.01   0.01  -0.00     0.12   0.08  -0.00    -0.00  -0.01   0.02
   112   1     0.00   0.01  -0.00     0.10   0.11   0.01     0.02  -0.03   0.12
   113   1    -0.00   0.01  -0.00     0.06   0.12   0.03     0.01  -0.02   0.10
   114   1    -0.01   0.00   0.00     0.06   0.06   0.04    -0.01  -0.03   0.08
   115   1    -0.01  -0.00  -0.01     0.05   0.07   0.01    -0.00  -0.05   0.12
   116   1    -0.01  -0.01  -0.01     0.04   0.08  -0.04    -0.01  -0.04   0.05
   117   1     0.00  -0.00  -0.00     0.03   0.08  -0.03    -0.02  -0.01  -0.06
   118   1     0.03  -0.01  -0.08    -0.05   0.02   0.01     0.01   0.03  -0.14
   119   1     0.05  -0.02  -0.02    -0.02   0.04  -0.08    -0.01  -0.03   0.09
   120   1     0.06  -0.03   0.08    -0.00   0.06  -0.09    -0.02  -0.07   0.27
   121   1     0.04  -0.01   0.11    -0.02   0.06  -0.01    -0.02  -0.05   0.17
   122   1    -0.01  -0.00   0.14    -0.09   0.12  -0.04    -0.02  -0.05   0.17
   123   1    -0.03   0.00   0.07    -0.14   0.10  -0.08    -0.04  -0.07   0.27
   124   1    -0.01   0.01  -0.06    -0.15   0.03  -0.02    -0.02  -0.03   0.09
   125   1     0.01   0.01  -0.10    -0.11  -0.03   0.04     0.00   0.03  -0.14
   126  17    -0.03  -0.02  -0.04     0.16  -0.09  -0.00     0.04   0.01  -0.01
                     25                     26                     27
                      A                      A                      A
 Frequencies --    110.5226               110.7743               113.9092
 Red. masses --      5.3585                 4.7494                 5.3058
 Frc consts  --      0.0386                 0.0343                 0.0406
 IR Inten    --      1.4398                 0.1211                 1.9552
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.01  -0.01    -0.01   0.01   0.01     0.02  -0.02   0.02
     2   6     0.02  -0.01  -0.10    -0.00   0.01  -0.02     0.02  -0.02  -0.07
     3   6     0.01  -0.00  -0.08    -0.00   0.00  -0.02     0.01  -0.02  -0.07
     4   6     0.01   0.01  -0.00    -0.00  -0.00   0.01     0.01  -0.02  -0.02
     5   6     0.02   0.01   0.10    -0.01  -0.00   0.06     0.02  -0.02   0.09
     6   6     0.02   0.01   0.10    -0.01   0.00   0.06     0.02  -0.02   0.12
     7   6     0.01  -0.00  -0.08    -0.00  -0.00  -0.02     0.00  -0.02  -0.07
     8   6     0.00   0.01  -0.03    -0.00   0.00  -0.01     0.00  -0.02  -0.03
     9   6     0.01   0.01  -0.03    -0.00  -0.00  -0.01     0.00  -0.02  -0.06
    10   6     0.01   0.01  -0.02    -0.00  -0.00  -0.01     0.01  -0.02  -0.05
    11   6     0.00  -0.01  -0.06    -0.00  -0.01  -0.02    -0.00  -0.02  -0.06
    12   6    -0.00  -0.01   0.01    -0.00  -0.01  -0.00    -0.01  -0.02   0.03
    13   6    -0.01   0.00   0.06    -0.01  -0.01   0.01    -0.00  -0.02   0.11
    14   6    -0.00   0.01   0.04    -0.01  -0.00   0.00    -0.00  -0.02   0.08
    15   7     0.01   0.01  -0.02    -0.00  -0.00   0.00     0.00  -0.03  -0.08
    16   6     0.01   0.01  -0.00    -0.00  -0.01   0.00     0.00  -0.02  -0.06
    17   6     0.01   0.01  -0.01    -0.00  -0.01  -0.03     0.01  -0.02  -0.04
    18   7     0.01   0.01  -0.02    -0.00  -0.00  -0.04     0.01  -0.02  -0.05
    19   6     0.01   0.01   0.02     0.00  -0.01   0.04    -0.00  -0.01  -0.02
    20   6     0.01   0.01   0.03     0.00  -0.01   0.03    -0.00  -0.01   0.04
    21   6     0.01   0.01   0.00    -0.00  -0.01  -0.01     0.00  -0.00   0.05
    22   6     0.01   0.01  -0.02    -0.00  -0.01  -0.04     0.01  -0.01   0.01
    23   6     0.02  -0.02  -0.01    -0.01   0.02  -0.01     0.02  -0.01   0.01
    24   6    -0.01  -0.02   0.03    -0.00  -0.02   0.01    -0.01  -0.01   0.02
    25   6     0.00   0.01  -0.00    -0.00  -0.02  -0.00     0.01   0.02   0.06
    26   6    -0.03  -0.04   0.01    -0.01  -0.02   0.01     0.01  -0.03  -0.02
    27   6    -0.03  -0.05   0.02    -0.01  -0.02   0.02     0.01  -0.02  -0.04
    28   6    -0.02  -0.03   0.05    -0.00  -0.02   0.03    -0.01   0.02  -0.03
    29   6    -0.00  -0.01   0.07     0.00  -0.02   0.03    -0.02   0.05   0.03
    30   6     0.00  -0.00   0.06     0.00  -0.02   0.01    -0.02   0.03   0.05
    31   6     0.03  -0.03  -0.03    -0.02   0.00  -0.03     0.01  -0.03  -0.03
    32   6     0.03  -0.02  -0.01    -0.02   0.01  -0.06     0.00  -0.02  -0.05
    33   6     0.00  -0.01   0.03    -0.02   0.03  -0.05    -0.00   0.02  -0.02
    34   6    -0.01  -0.00   0.04    -0.02   0.05  -0.02    -0.01   0.05   0.02
    35   6     0.00  -0.01   0.02    -0.02   0.04   0.00     0.01   0.03   0.04
    36   6    -0.00   0.02  -0.01    -0.00  -0.03  -0.01    -0.02   0.03   0.05
    37   6    -0.00   0.01  -0.01    -0.00  -0.02  -0.00    -0.02   0.03   0.00
    38   6    -0.00   0.01  -0.02     0.00  -0.01   0.02    -0.00   0.02  -0.03
    39   6     0.00   0.01  -0.01    -0.00  -0.00   0.02     0.02   0.02   0.00
    40   6     0.00   0.01  -0.00    -0.00  -0.01   0.01     0.02   0.02   0.04
    41   7    -0.00  -0.01   0.05    -0.01   0.02  -0.08    -0.01   0.03  -0.05
    42   7    -0.02  -0.02   0.07     0.00  -0.02   0.05    -0.01   0.03  -0.06
    43   7    -0.01   0.01  -0.02     0.00  -0.01   0.03    -0.00   0.02  -0.09
    44   6    -0.02  -0.01   0.05     0.00  -0.01   0.04    -0.02   0.02  -0.05
    45   6    -0.02  -0.03   0.13     0.00  -0.02   0.09    -0.02   0.03  -0.08
    46   6    -0.03  -0.03   0.13    -0.00  -0.02   0.09    -0.01   0.03  -0.09
    47   6    -0.03  -0.01   0.05     0.00  -0.01   0.04    -0.02   0.02  -0.05
    48   6    -0.01  -0.01   0.04    -0.01   0.02  -0.07    -0.00   0.02  -0.04
    49   6     0.00  -0.02   0.06    -0.02   0.03  -0.14    -0.01   0.03  -0.08
    50   6     0.00  -0.02   0.07    -0.02   0.03  -0.14    -0.00   0.03  -0.08
    51   6    -0.00  -0.01   0.04    -0.00   0.02  -0.07     0.00   0.03  -0.04
    52   6    -0.01   0.01  -0.02     0.00  -0.00   0.03    -0.01   0.01  -0.07
    53   6    -0.01   0.01  -0.04     0.00  -0.01   0.05    -0.00   0.02  -0.10
    54   6    -0.01   0.01  -0.04     0.00  -0.01   0.05    -0.00   0.03  -0.10
    55   6    -0.01   0.01  -0.02     0.00  -0.00   0.03    -0.01   0.01  -0.07
    56   6    -0.03  -0.01   0.08     0.00  -0.02   0.05    -0.02   0.02  -0.05
    57   6    -0.02   0.04  -0.08     0.01   0.01  -0.05    -0.03  -0.00   0.05
    58   6    -0.01   0.06  -0.18     0.02   0.03  -0.11    -0.04  -0.02   0.10
    59   6    -0.02   0.03  -0.09     0.01   0.02  -0.06    -0.03  -0.00   0.04
    60   6    -0.01   0.03  -0.10     0.02   0.01  -0.06    -0.03   0.00   0.03
    61   6     0.00   0.05  -0.18     0.02   0.03  -0.11    -0.05  -0.02   0.10
    62   6    -0.01   0.02  -0.07     0.02   0.02  -0.05    -0.04  -0.01   0.07
    63   6    -0.02  -0.02   0.09     0.01  -0.01   0.05    -0.03   0.01  -0.04
    64   6    -0.00  -0.01   0.04    -0.00   0.02  -0.08     0.01   0.02  -0.03
    65   6    -0.02   0.00  -0.04     0.04  -0.01   0.09     0.04   0.01   0.06
    66   6    -0.03   0.01  -0.08     0.06  -0.02   0.19     0.04   0.01   0.09
    67   6    -0.02   0.00  -0.04     0.03  -0.01   0.09     0.02   0.02   0.03
    68   6    -0.03  -0.00  -0.03     0.03  -0.01   0.09     0.01   0.01   0.04
    69   6    -0.04  -0.00  -0.08     0.05  -0.02   0.18     0.03  -0.01   0.09
    70   6    -0.03  -0.01  -0.04     0.03  -0.00   0.08     0.02   0.00   0.04
    71   6    -0.00  -0.02   0.03    -0.01   0.03  -0.09    -0.00   0.02  -0.05
    72   6    -0.01   0.01  -0.03     0.00  -0.01   0.03    -0.01   0.02  -0.04
    73   6    -0.02   0.00   0.02     0.01   0.01  -0.03    -0.03  -0.01   0.07
    74   6    -0.02  -0.01   0.05     0.02   0.02  -0.06    -0.04  -0.03   0.11
    75   6    -0.02  -0.01   0.03     0.01   0.01  -0.03    -0.03  -0.01   0.03
    76   6    -0.02  -0.00   0.03     0.01   0.01  -0.03    -0.01  -0.02   0.03
    77   6    -0.02  -0.01   0.05     0.01   0.02  -0.06    -0.02  -0.04   0.11
    78   6    -0.02  -0.01   0.03     0.01   0.01  -0.03    -0.01  -0.02   0.07
    79   6    -0.01   0.01  -0.02     0.00  -0.01   0.03    -0.01   0.01  -0.04
    80   1     0.03   0.01  -0.02    -0.01  -0.00   0.00     0.01  -0.02  -0.07
    81   1     0.01  -0.01  -0.18    -0.00   0.01  -0.05     0.02  -0.02  -0.12
    82   1     0.02   0.02   0.17    -0.01  -0.00   0.09     0.02  -0.01   0.15
    83   1     0.03   0.01   0.18    -0.01   0.00   0.10     0.03  -0.02   0.20
    84   1     0.01  -0.01  -0.09     0.00  -0.01  -0.03    -0.00  -0.02  -0.09
    85   1    -0.02  -0.00   0.12    -0.01  -0.01   0.02    -0.01  -0.02   0.19
    86   1    -0.00   0.01   0.08    -0.01   0.00   0.01     0.00  -0.02   0.13
    87   1     0.01   0.01   0.04     0.00  -0.01   0.06    -0.01  -0.02  -0.03
    88   1     0.01   0.01   0.05     0.00  -0.01   0.06    -0.01  -0.00   0.07
    89   1     0.01   0.01  -0.03    -0.01  -0.01  -0.07     0.02  -0.01   0.01
    90   1    -0.04  -0.05  -0.01    -0.01  -0.02   0.01     0.02  -0.06  -0.03
    91   1    -0.04  -0.06  -0.01    -0.02  -0.02   0.02     0.02  -0.03  -0.08
    92   1     0.01  -0.00   0.09     0.01  -0.02   0.03    -0.03   0.08   0.04
    93   1     0.01   0.01   0.07     0.01  -0.02   0.01    -0.03   0.05   0.08
    94   1     0.04  -0.04  -0.05    -0.02  -0.01  -0.03     0.02  -0.07  -0.04
    95   1     0.04  -0.03  -0.03    -0.02  -0.01  -0.07    -0.00  -0.04  -0.08
    96   1    -0.02   0.01   0.06    -0.02   0.07  -0.01    -0.01   0.08   0.04
    97   1    -0.01  -0.01   0.02    -0.02   0.06   0.02     0.01   0.05   0.06
    98   1    -0.00   0.02  -0.00    -0.00  -0.04  -0.03    -0.04   0.04   0.06
    99   1    -0.00   0.01  -0.01    -0.00  -0.03  -0.01    -0.03   0.04  -0.01
   100   1     0.00   0.01  -0.01    -0.00   0.01   0.04     0.04   0.01  -0.02
   101   1     0.00   0.01  -0.00    -0.01  -0.00   0.01     0.04   0.01   0.06
   102   1    -0.03  -0.02   0.14    -0.00  -0.03   0.09    -0.01   0.03  -0.08
   103   1    -0.02   0.06  -0.15     0.02   0.02  -0.09    -0.03  -0.01   0.09
   104   1    -0.01   0.10  -0.32     0.03   0.06  -0.20    -0.04  -0.04   0.19
   105   1    -0.01   0.05  -0.16     0.02   0.04  -0.10    -0.03  -0.02   0.09
   106   1     0.00   0.06  -0.18     0.02   0.03  -0.11    -0.04  -0.00   0.06
   107   1     0.01   0.09  -0.32     0.03   0.06  -0.21    -0.06  -0.04   0.19
   108   1    -0.00   0.04  -0.13     0.02   0.03  -0.09    -0.05  -0.03   0.12
   109   1    -0.03  -0.04   0.15     0.00  -0.02   0.09    -0.03   0.01  -0.06
   110   1    -0.00  -0.01   0.06    -0.01   0.03  -0.14     0.01   0.02  -0.05
   111   1    -0.03   0.01  -0.07     0.05  -0.02   0.16     0.05   0.00   0.11
   112   1    -0.05   0.02  -0.15     0.09  -0.05   0.33     0.06  -0.00   0.17
   113   1    -0.03   0.01  -0.07     0.05  -0.02   0.16     0.03   0.02   0.06
   114   1    -0.05   0.01  -0.06     0.06  -0.03   0.17     0.02  -0.00   0.08
   115   1    -0.06   0.01  -0.15     0.09  -0.05   0.33     0.04  -0.02   0.17
   116   1    -0.03  -0.01  -0.08     0.04  -0.02   0.15     0.02  -0.01   0.08
   117   1     0.01  -0.03   0.05    -0.02   0.04  -0.15    -0.01   0.02  -0.07
   118   1    -0.01   0.02  -0.04     0.00  -0.02   0.05    -0.01   0.03  -0.06
   119   1    -0.02  -0.00   0.04     0.01   0.01  -0.05    -0.04  -0.02   0.13
   120   1    -0.03  -0.02   0.10     0.02   0.03  -0.12    -0.05  -0.05   0.21
   121   1    -0.02  -0.02   0.05     0.02   0.02  -0.06    -0.04  -0.03   0.06
   122   1    -0.02  -0.01   0.05     0.01   0.02  -0.05    -0.02  -0.03   0.06
   123   1    -0.03  -0.02   0.10     0.01   0.04  -0.12    -0.03  -0.06   0.21
   124   1    -0.02  -0.01   0.05     0.01   0.02  -0.06    -0.02  -0.04   0.13
   125   1    -0.01   0.01  -0.04    -0.00  -0.01   0.04    -0.00   0.01  -0.06
   126  17     0.16   0.00   0.00    -0.06  -0.00  -0.00     0.09  -0.04   0.01
                     28                     29                     30
                      A                      A                      A
 Frequencies --    116.8912               120.9449               148.6424
 Red. masses --      6.6510                 5.4194                 6.6885
 Frc consts  --      0.0535                 0.0467                 0.0871
 IR Inten    --      2.4951                 0.3309                 0.7163
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.06  -0.04  -0.03    -0.00   0.00  -0.05     0.02  -0.01   0.01
     2   6     0.06  -0.04  -0.02    -0.01  -0.00  -0.14     0.04  -0.01  -0.07
     3   6     0.05  -0.02   0.02    -0.01   0.00  -0.05     0.04  -0.02  -0.14
     4   6     0.05   0.00   0.03    -0.01   0.01   0.06     0.04  -0.02  -0.11
     5   6     0.06   0.00   0.05    -0.01   0.01   0.19     0.03  -0.02  -0.12
     6   6     0.07  -0.01   0.03     0.00   0.01   0.15     0.02  -0.02  -0.05
     7   6     0.03  -0.02   0.03    -0.01   0.00  -0.04     0.03  -0.02  -0.14
     8   6     0.02  -0.00   0.00    -0.00  -0.00  -0.09     0.03  -0.02  -0.10
     9   6     0.03   0.02   0.01    -0.00  -0.00  -0.04     0.03  -0.02  -0.02
    10   6     0.04   0.02   0.01    -0.01  -0.00   0.01     0.04  -0.02  -0.00
    11   6     0.02  -0.02   0.06    -0.01   0.02   0.06     0.02  -0.01  -0.11
    12   6     0.00  -0.03   0.02     0.00   0.02   0.06     0.03  -0.01   0.01
    13   6     0.00  -0.02  -0.04     0.01   0.01  -0.06     0.03  -0.01   0.02
    14   6     0.01  -0.01  -0.05     0.01  -0.00  -0.13     0.03  -0.02  -0.04
    15   7     0.02   0.04   0.03    -0.00  -0.01   0.00     0.02  -0.01   0.06
    16   6     0.03   0.06   0.02    -0.00  -0.01   0.04     0.03   0.01   0.12
    17   6     0.04   0.06  -0.04    -0.01  -0.02  -0.03     0.03   0.01   0.17
    18   7     0.05   0.04  -0.03    -0.01  -0.01  -0.02     0.04  -0.00   0.14
    19   6     0.02   0.07   0.06     0.00  -0.02   0.14     0.02   0.01   0.04
    20   6     0.02   0.08   0.03     0.00  -0.03   0.10     0.02   0.02  -0.05
    21   6     0.03   0.09  -0.03    -0.01  -0.04  -0.03     0.03   0.02  -0.02
    22   6     0.04   0.07  -0.07    -0.01  -0.03  -0.09     0.03   0.02   0.14
    23   6     0.06  -0.05  -0.06     0.02  -0.01  -0.09    -0.00   0.02   0.11
    24   6    -0.00  -0.02   0.02     0.01   0.04   0.12     0.03   0.02   0.08
    25   6     0.02   0.07  -0.02    -0.01  -0.05  -0.06     0.01  -0.00  -0.11
    26   6     0.01  -0.02   0.01     0.03   0.05   0.12     0.03   0.02   0.08
    27   6     0.01   0.00  -0.00     0.03   0.03   0.06     0.02   0.01   0.05
    28   6    -0.01   0.02  -0.02     0.01   0.00  -0.01     0.00   0.01   0.02
    29   6    -0.02   0.02  -0.01    -0.01   0.01   0.02     0.01   0.04   0.07
    30   6    -0.02   0.00   0.01    -0.01   0.04   0.09     0.02   0.05   0.10
    31   6     0.01  -0.05  -0.04     0.05  -0.02  -0.11    -0.03   0.02   0.13
    32   6    -0.02  -0.02  -0.01     0.05  -0.02  -0.07    -0.03   0.01   0.08
    33   6    -0.03  -0.01  -0.01     0.01   0.00   0.01    -0.00   0.00   0.03
    34   6     0.02  -0.02  -0.04    -0.02   0.00   0.01    -0.00   0.04   0.08
    35   6     0.06  -0.05  -0.07    -0.01  -0.01  -0.04    -0.01   0.04   0.13
    36   6     0.05   0.03  -0.02    -0.02  -0.06  -0.08     0.02  -0.02  -0.10
    37   6     0.04  -0.02   0.01    -0.01  -0.03  -0.05     0.03  -0.01  -0.06
    38   6    -0.01  -0.02   0.03     0.00   0.00  -0.00    -0.00  -0.00  -0.03
    39   6    -0.04   0.01   0.02     0.00  -0.00  -0.00    -0.02  -0.03  -0.09
    40   6    -0.03   0.06   0.00    -0.01  -0.03  -0.04    -0.02  -0.02  -0.12
    41   7    -0.05  -0.00   0.01     0.01   0.01   0.07     0.00  -0.00  -0.07
    42   7    -0.02   0.03  -0.04     0.01  -0.01  -0.09    -0.01  -0.00  -0.05
    43   7    -0.02  -0.05   0.08     0.01   0.01   0.04    -0.01   0.00   0.07
    44   6    -0.03   0.03  -0.04     0.01  -0.01  -0.07    -0.01   0.00  -0.06
    45   6    -0.02   0.02  -0.05     0.01   0.00  -0.05    -0.01  -0.00  -0.02
    46   6    -0.02   0.03  -0.05     0.00   0.00  -0.05    -0.02   0.01  -0.03
    47   6    -0.02   0.02  -0.04    -0.00  -0.00  -0.07    -0.02  -0.01  -0.03
    48   6    -0.06  -0.02   0.01     0.01   0.01   0.06     0.00  -0.00  -0.07
    49   6    -0.05  -0.03  -0.02     0.01   0.00   0.05    -0.00   0.00  -0.04
    50   6    -0.04  -0.01  -0.02     0.02   0.01   0.05    -0.01  -0.00  -0.04
    51   6    -0.04  -0.01   0.01     0.01   0.01   0.05    -0.00  -0.01  -0.06
    52   6    -0.01  -0.04   0.07     0.00   0.01   0.03    -0.01   0.01   0.04
    53   6    -0.02  -0.04   0.11     0.00   0.01   0.01    -0.01  -0.00   0.05
    54   6    -0.03  -0.03   0.11     0.01   0.00   0.01    -0.01   0.00   0.04
    55   6    -0.03  -0.03   0.07     0.01   0.01   0.03    -0.01  -0.01   0.08
    56   6    -0.02   0.02  -0.03    -0.01  -0.00   0.00    -0.03   0.04  -0.04
    57   6    -0.04   0.01   0.04    -0.02  -0.01   0.05    -0.06   0.03  -0.02
    58   6    -0.04  -0.00   0.06    -0.03  -0.02   0.03    -0.07   0.00   0.02
    59   6    -0.03   0.01   0.02    -0.02  -0.01  -0.04    -0.06  -0.02   0.01
    60   6    -0.04   0.02   0.02     0.03  -0.03  -0.03    -0.01   0.01  -0.09
    61   6    -0.06  -0.00   0.06     0.04  -0.04   0.03    -0.02  -0.01  -0.03
    62   6    -0.06  -0.00   0.04     0.04  -0.02   0.04    -0.03  -0.03   0.07
    63   6    -0.04   0.01  -0.02     0.03  -0.00  -0.00    -0.02  -0.03   0.06
    64   6    -0.05  -0.01  -0.03     0.02   0.01   0.01    -0.02  -0.01   0.00
    65   6    -0.04  -0.02   0.01     0.02   0.03  -0.03    -0.02  -0.03   0.03
    66   6    -0.03  -0.02   0.05     0.01   0.04  -0.03    -0.02  -0.04   0.01
    67   6    -0.04  -0.02   0.04     0.01   0.03   0.01    -0.01  -0.03  -0.04
    68   6    -0.09  -0.05   0.04    -0.00   0.01   0.03     0.01   0.00  -0.06
    69   6    -0.09  -0.08   0.05    -0.02   0.01  -0.03     0.02   0.00  -0.00
    70   6    -0.07  -0.09   0.02    -0.01   0.01  -0.05     0.03  -0.00   0.05
    71   6    -0.05  -0.06  -0.02     0.00   0.01  -0.00     0.01  -0.00   0.02
    72   6    -0.03  -0.00   0.05     0.02  -0.00  -0.00    -0.00   0.03  -0.06
    73   6    -0.04   0.04  -0.08     0.03  -0.00  -0.01    -0.00   0.04  -0.08
    74   6    -0.04   0.04  -0.14     0.03   0.00   0.01    -0.01   0.01   0.02
    75   6    -0.04  -0.00  -0.05     0.03   0.01   0.02    -0.01  -0.01   0.10
    76   6     0.01  -0.01  -0.05    -0.01   0.02   0.03    -0.03   0.03  -0.00
    77   6     0.02   0.02  -0.14    -0.02   0.02   0.01    -0.05   0.03  -0.03
    78   6     0.02   0.01  -0.08    -0.02   0.01  -0.02    -0.05   0.01   0.00
    79   6    -0.00  -0.02   0.05    -0.01   0.01  -0.01    -0.04  -0.01   0.04
    80   1     0.02   0.04   0.03    -0.01  -0.01   0.01     0.01  -0.01   0.04
    81   1     0.05  -0.05  -0.06    -0.01  -0.01  -0.28     0.04   0.00  -0.05
    82   1     0.06   0.01   0.07    -0.00   0.02   0.30     0.03  -0.03  -0.13
    83   1     0.09  -0.01   0.04     0.01   0.01   0.25     0.01  -0.02  -0.02
    84   1     0.03  -0.03   0.12    -0.02   0.02   0.16     0.02  -0.00  -0.13
    85   1    -0.00  -0.02  -0.08     0.03   0.01  -0.08     0.04  -0.01   0.09
    86   1     0.00  -0.00  -0.09     0.01  -0.01  -0.20     0.03  -0.02  -0.03
    87   1     0.01   0.07   0.10     0.01  -0.01   0.22     0.01   0.01   0.00
    88   1     0.02   0.09   0.06     0.01  -0.04   0.17     0.02   0.02  -0.16
    89   1     0.05   0.08  -0.12    -0.02  -0.03  -0.16     0.03   0.02   0.18
    90   1     0.01  -0.03   0.01     0.05   0.06   0.15     0.03   0.02   0.08
    91   1     0.03   0.00  -0.01     0.05   0.03   0.05     0.03  -0.00   0.02
    92   1    -0.03   0.02  -0.01    -0.03   0.00  -0.01     0.01   0.04   0.07
    93   1    -0.05  -0.00   0.02    -0.02   0.03   0.10     0.01   0.05   0.12
    94   1     0.00  -0.07  -0.03     0.07  -0.03  -0.15    -0.04   0.01   0.14
    95   1    -0.04  -0.01   0.01     0.08  -0.02  -0.08    -0.04  -0.00   0.06
    96   1     0.03  -0.00  -0.05    -0.05   0.01   0.06     0.01   0.05   0.06
    97   1     0.08  -0.07  -0.09    -0.04  -0.01  -0.03     0.00   0.05   0.14
    98   1     0.09   0.03  -0.03    -0.03  -0.07  -0.10     0.04  -0.01  -0.11
    99   1     0.06  -0.06   0.01    -0.01  -0.04  -0.05     0.05  -0.01  -0.03
   100   1    -0.08   0.01   0.04     0.01   0.02   0.03    -0.04  -0.03  -0.08
   101   1    -0.06   0.10  -0.00    -0.01  -0.02  -0.04    -0.03  -0.02  -0.14
   102   1    -0.02   0.03  -0.04    -0.00   0.00   0.02    -0.01   0.07  -0.06
   103   1    -0.04   0.00   0.07    -0.03  -0.02   0.10    -0.07   0.05  -0.03
   104   1    -0.05  -0.02   0.11    -0.04  -0.03   0.06    -0.09  -0.00   0.05
   105   1    -0.04  -0.01   0.04    -0.02  -0.02  -0.05    -0.07  -0.05   0.04
   106   1    -0.05   0.03   0.03     0.03  -0.04  -0.03    -0.01   0.04  -0.15
   107   1    -0.07  -0.01   0.11     0.05  -0.05   0.07    -0.02  -0.00  -0.04
   108   1    -0.07  -0.02   0.08     0.04  -0.03   0.09    -0.04  -0.05   0.14
   109   1    -0.04  -0.00  -0.03     0.02   0.01   0.01    -0.03  -0.05   0.12
   110   1    -0.05  -0.01  -0.05     0.03   0.01   0.01    -0.02  -0.00   0.02
   111   1    -0.03  -0.02   0.01     0.02   0.04  -0.07    -0.02  -0.04   0.07
   112   1    -0.02  -0.02   0.08     0.01   0.05  -0.07    -0.02  -0.06   0.03
   113   1    -0.03  -0.02   0.07     0.01   0.04   0.00    -0.00  -0.04  -0.05
   114   1    -0.11  -0.03   0.06    -0.01   0.01   0.03     0.01   0.00  -0.09
   115   1    -0.10  -0.10   0.08    -0.03   0.02  -0.07     0.03   0.00   0.01
   116   1    -0.06  -0.11   0.04    -0.02   0.02  -0.10     0.04  -0.01   0.10
   117   1    -0.02  -0.08  -0.04     0.00   0.01  -0.02     0.01  -0.01   0.06
   118   1    -0.02   0.00   0.09     0.01  -0.01  -0.01     0.01   0.05  -0.12
   119   1    -0.04   0.07  -0.15     0.03  -0.01  -0.02     0.01   0.06  -0.16
   120   1    -0.04   0.07  -0.25     0.04   0.00   0.00    -0.01   0.01   0.02
   121   1    -0.04   0.00  -0.10     0.03   0.02   0.03    -0.02  -0.03   0.15
   122   1     0.01  -0.00  -0.09    -0.01   0.03   0.04    -0.03   0.06  -0.02
   123   1     0.04   0.04  -0.25    -0.03   0.03   0.00    -0.06   0.05  -0.06
   124   1     0.03   0.03  -0.15    -0.03   0.01  -0.04    -0.06   0.00  -0.01
   125   1    -0.00  -0.02   0.08    -0.01  -0.00  -0.03    -0.04  -0.04   0.05
   126  17     0.18   0.04  -0.01    -0.11  -0.00  -0.00    -0.02  -0.01  -0.00
                     31                     32                     33
                      A                      A                      A
 Frequencies --    150.9071               152.2405               152.9626
 Red. masses --      4.9833                 3.8169                 3.7003
 Frc consts  --      0.0669                 0.0521                 0.0510
 IR Inten    --      0.8139                 1.4913                 0.0862
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.01   0.01     0.02  -0.00   0.01    -0.00  -0.00   0.00
     2   6    -0.01  -0.02  -0.02     0.01  -0.00   0.01    -0.00  -0.00   0.00
     3   6    -0.02  -0.01  -0.05     0.00   0.01  -0.00    -0.00  -0.00   0.00
     4   6    -0.02   0.01  -0.05     0.00   0.01  -0.01    -0.00  -0.00   0.00
     5   6    -0.01   0.01  -0.04     0.02   0.02  -0.00    -0.00  -0.00   0.00
     6   6     0.01   0.00  -0.01     0.03   0.01   0.00    -0.00  -0.00  -0.00
     7   6    -0.04  -0.01  -0.05    -0.00   0.01  -0.00    -0.00  -0.00  -0.00
     8   6    -0.05   0.00  -0.05    -0.00   0.01  -0.01    -0.00  -0.00  -0.00
     9   6    -0.05   0.02  -0.03    -0.00   0.02  -0.01    -0.00  -0.00   0.00
    10   6    -0.04   0.03  -0.01    -0.01   0.02  -0.01    -0.00  -0.00   0.00
    11   6    -0.04  -0.04  -0.03    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    12   6    -0.06  -0.05   0.02    -0.01  -0.00   0.00     0.00   0.00  -0.00
    13   6    -0.07  -0.03   0.02    -0.01   0.00   0.01     0.00  -0.00  -0.00
    14   6    -0.07  -0.00  -0.03    -0.01   0.01   0.01     0.00  -0.00  -0.00
    15   7    -0.05   0.03   0.01     0.00   0.02  -0.02    -0.00  -0.00  -0.00
    16   6    -0.04   0.04   0.04     0.00   0.01  -0.01    -0.00  -0.00   0.00
    17   6    -0.04   0.04   0.07    -0.01   0.00   0.00    -0.00  -0.00   0.00
    18   7    -0.04   0.04   0.05    -0.01   0.01  -0.00    -0.00  -0.00   0.01
    19   6    -0.03   0.02   0.03     0.01  -0.01  -0.00    -0.01  -0.00  -0.00
    20   6    -0.03   0.01  -0.00     0.01  -0.03   0.01    -0.01   0.00  -0.00
    21   6    -0.03   0.01   0.00    -0.00  -0.03   0.01    -0.01   0.00  -0.00
    22   6    -0.05   0.03   0.06    -0.01  -0.02   0.01    -0.00  -0.00   0.00
    23   6     0.00  -0.01   0.04     0.03  -0.01   0.00     0.00   0.00   0.00
    24   6    -0.05  -0.06   0.03    -0.01  -0.01  -0.00     0.01   0.00   0.00
    25   6    -0.03  -0.01  -0.04    -0.01  -0.04  -0.00    -0.01   0.00  -0.00
    26   6    -0.01  -0.05   0.02    -0.01  -0.01  -0.01     0.01   0.01   0.01
    27   6     0.00  -0.02   0.01    -0.00  -0.01  -0.01     0.01   0.01   0.01
    28   6    -0.01  -0.00   0.01    -0.00  -0.00  -0.00     0.00  -0.00   0.00
    29   6    -0.05  -0.01   0.02    -0.01  -0.00   0.00     0.00  -0.01  -0.01
    30   6    -0.06  -0.04   0.04    -0.01  -0.01   0.00     0.00  -0.01  -0.01
    31   6    -0.01  -0.01   0.04     0.03  -0.02  -0.02     0.00  -0.00  -0.01
    32   6    -0.01  -0.01   0.03     0.02  -0.01  -0.01     0.00  -0.00  -0.01
    33   6    -0.00   0.00   0.01     0.01   0.00   0.00     0.00   0.00   0.00
    34   6     0.00   0.01   0.03     0.02   0.01   0.01    -0.00   0.00   0.01
    35   6     0.00   0.00   0.04     0.02   0.00   0.01    -0.00   0.00   0.01
    36   6    -0.02  -0.02  -0.05    -0.02  -0.04  -0.01    -0.00   0.01   0.02
    37   6    -0.02  -0.02  -0.03    -0.01  -0.02  -0.01    -0.00   0.01   0.01
    38   6    -0.00  -0.00  -0.01     0.00  -0.00  -0.00    -0.01   0.00  -0.00
    39   6    -0.02  -0.01  -0.04     0.01  -0.02  -0.00    -0.01  -0.01  -0.01
    40   6    -0.03  -0.02  -0.06     0.00  -0.04  -0.00    -0.01  -0.01  -0.02
    41   7    -0.00   0.00  -0.03    -0.00   0.01  -0.00     0.00   0.00  -0.00
    42   7     0.01   0.02  -0.02    -0.00   0.00   0.00     0.01  -0.00  -0.00
    43   7     0.00   0.01   0.03     0.00   0.01  -0.00    -0.01   0.00   0.00
    44   6     0.01   0.00   0.02    -0.00  -0.00   0.02     0.01   0.01  -0.04
    45   6     0.02   0.02  -0.03     0.00   0.00  -0.01     0.00  -0.00   0.01
    46   6     0.02   0.00  -0.01     0.00   0.00   0.00     0.01   0.00  -0.01
    47   6     0.03   0.03  -0.07     0.00   0.01  -0.02     0.00  -0.01   0.04
    48   6     0.00   0.00  -0.01    -0.02   0.02  -0.07    -0.00   0.01  -0.02
    49   6    -0.00   0.01  -0.02     0.00   0.00   0.01     0.00   0.00   0.00
    50   6    -0.00   0.00  -0.02    -0.00   0.01  -0.02     0.00   0.00  -0.01
    51   6    -0.00   0.01  -0.04     0.01  -0.01   0.06     0.01  -0.00   0.02
    52   6     0.01  -0.01   0.06     0.00   0.02  -0.02    -0.01  -0.01   0.06
    53   6     0.01   0.00   0.01     0.00   0.01  -0.00    -0.01   0.01  -0.01
    54   6     0.01  -0.01   0.02     0.00   0.01  -0.01    -0.01  -0.00   0.01
    55   6     0.02   0.01  -0.01     0.00   0.01   0.01     0.00   0.02  -0.05
    56   6     0.02  -0.06   0.11     0.00  -0.02   0.05     0.01   0.03  -0.10
    57   6     0.05  -0.07   0.12     0.01  -0.02   0.04     0.00   0.03  -0.09
    58   6     0.08  -0.01  -0.03     0.02   0.00  -0.02    -0.01  -0.01   0.05
    59   6     0.07   0.05  -0.13     0.02   0.02  -0.05    -0.01  -0.04   0.11
    60   6     0.02  -0.03   0.10    -0.00  -0.01   0.05     0.01   0.03  -0.11
    61   6     0.04  -0.01   0.07     0.00  -0.00   0.03     0.00   0.01  -0.05
    62   6     0.05   0.03  -0.07     0.01   0.02  -0.04    -0.01  -0.03   0.09
    63   6     0.04   0.05  -0.11     0.01   0.02  -0.05    -0.01  -0.03   0.10
    64   6     0.01  -0.01   0.03    -0.05   0.04  -0.17    -0.01   0.01  -0.06
    65   6     0.02  -0.01   0.04    -0.05   0.03  -0.14    -0.01   0.01  -0.05
    66   6     0.00   0.00  -0.01     0.00  -0.02   0.08     0.01  -0.00   0.03
    67   6    -0.01   0.01  -0.05     0.03  -0.04   0.18     0.02  -0.01   0.06
    68   6     0.01   0.00   0.01    -0.06   0.03  -0.18    -0.01   0.01  -0.06
    69   6     0.02   0.01   0.02    -0.04  -0.00  -0.07    -0.00   0.01  -0.03
    70   6     0.01   0.01  -0.01     0.02  -0.05   0.15     0.01  -0.01   0.05
    71   6    -0.00   0.01  -0.02     0.04  -0.05   0.17     0.02  -0.01   0.06
    72   6     0.02  -0.05   0.08     0.01   0.01  -0.03    -0.02  -0.04   0.14
    73   6     0.05  -0.05   0.07     0.01   0.01  -0.02    -0.01  -0.04   0.12
    74   6     0.07  -0.01  -0.04     0.01   0.00   0.02     0.01   0.01  -0.06
    75   6     0.06   0.03  -0.07     0.01  -0.00   0.04     0.02   0.04  -0.15
    76   6     0.01  -0.03   0.12    -0.01   0.03  -0.03    -0.01  -0.04   0.15
    77   6     0.03  -0.01   0.05    -0.02   0.02  -0.01     0.00  -0.02   0.06
    78   6     0.04   0.03  -0.09    -0.02  -0.00   0.04     0.02   0.04  -0.12
    79   6     0.03   0.04  -0.09    -0.01  -0.01   0.03     0.01   0.04  -0.14
    80   1    -0.04   0.04   0.00     0.01   0.02  -0.02    -0.00  -0.00  -0.00
    81   1    -0.01  -0.03  -0.01     0.01  -0.01   0.01    -0.00  -0.00   0.00
    82   1    -0.00   0.03  -0.04     0.02   0.03  -0.00    -0.00  -0.00  -0.00
    83   1     0.02   0.01   0.01     0.03   0.01   0.00    -0.00  -0.00  -0.00
    84   1    -0.03  -0.05  -0.03     0.00  -0.01  -0.00    -0.00   0.00  -0.01
    85   1    -0.10  -0.03   0.05    -0.02   0.00   0.02     0.01   0.00   0.00
    86   1    -0.08   0.01  -0.03    -0.01   0.01   0.01     0.00  -0.00  -0.00
    87   1    -0.02   0.03   0.02     0.03  -0.00  -0.00    -0.01  -0.00  -0.00
    88   1    -0.03   0.01  -0.04     0.02  -0.03   0.01    -0.01   0.00  -0.00
    89   1    -0.06   0.02   0.08    -0.03  -0.02   0.02    -0.00  -0.00   0.00
    90   1     0.01  -0.08   0.02    -0.00  -0.02  -0.01     0.01   0.02   0.02
    91   1     0.02  -0.02   0.01    -0.00  -0.01  -0.01     0.01   0.01   0.01
    92   1    -0.07   0.01   0.01    -0.01   0.00   0.00     0.01  -0.01  -0.01
    93   1    -0.07  -0.05   0.04    -0.01  -0.00   0.00     0.00  -0.01  -0.02
    94   1    -0.01  -0.02   0.05     0.03  -0.04  -0.03     0.01  -0.01  -0.01
    95   1    -0.02  -0.02   0.02     0.02  -0.01  -0.02     0.01  -0.00  -0.01
    96   1     0.01   0.02   0.02     0.02   0.02   0.01    -0.00   0.01   0.01
    97   1     0.01   0.01   0.05     0.02   0.01   0.02    -0.01   0.01   0.01
    98   1    -0.02  -0.02  -0.05    -0.03  -0.04  -0.01     0.00   0.02   0.03
    99   1    -0.02  -0.01  -0.03    -0.02  -0.01  -0.01    -0.01   0.02   0.02
   100   1    -0.03  -0.01  -0.03     0.02  -0.02  -0.00    -0.01  -0.01  -0.02
   101   1    -0.02  -0.03  -0.06     0.01  -0.05  -0.00    -0.01  -0.02  -0.03
   102   1    -0.00  -0.12   0.20    -0.01  -0.04   0.09     0.02   0.06  -0.19
   103   1     0.05  -0.12   0.23     0.01  -0.03   0.08     0.01   0.05  -0.17
   104   1     0.10   0.00  -0.06     0.02   0.01  -0.04    -0.01  -0.02   0.09
   105   1     0.09   0.10  -0.21     0.02   0.04  -0.09    -0.02  -0.06   0.19
   106   1     0.02  -0.08   0.18    -0.00  -0.03   0.09     0.02   0.06  -0.19
   107   1     0.04  -0.04   0.12     0.00  -0.01   0.05     0.01   0.02  -0.09
   108   1     0.07   0.05  -0.13     0.01   0.03  -0.08    -0.02  -0.05   0.17
   109   1     0.05   0.09  -0.19     0.01   0.03  -0.09    -0.01  -0.06   0.19
   110   1     0.02  -0.02   0.06    -0.08   0.07  -0.31    -0.02   0.02  -0.11
   111   1     0.03  -0.01   0.08    -0.08   0.05  -0.27    -0.02   0.02  -0.10
   112   1     0.00   0.00  -0.01     0.02  -0.03   0.15     0.01  -0.01   0.05
   113   1    -0.01   0.02  -0.07     0.07  -0.07   0.30     0.03  -0.02   0.11
   114   1     0.02  -0.00   0.02    -0.10   0.07  -0.30    -0.02   0.02  -0.11
   115   1     0.02   0.01   0.04    -0.06   0.00  -0.13    -0.01   0.01  -0.05
   116   1     0.01   0.02  -0.01     0.05  -0.09   0.29     0.02  -0.02   0.10
   117   1    -0.01   0.02  -0.04     0.08  -0.08   0.31     0.03  -0.02   0.11
   118   1    -0.00  -0.09   0.14     0.01   0.02  -0.06    -0.03  -0.08   0.25
   119   1     0.05  -0.08   0.12     0.01   0.01  -0.04    -0.01  -0.07   0.23
   120   1     0.09   0.00  -0.08     0.01  -0.01   0.04     0.02   0.03  -0.12
   121   1     0.08   0.07  -0.13     0.00  -0.01   0.06     0.03   0.08  -0.25
   122   1     0.01  -0.07   0.19    -0.00   0.04  -0.06    -0.02  -0.08   0.25
   123   1     0.03  -0.02   0.08    -0.02   0.02  -0.01    -0.00  -0.03   0.12
   124   1     0.06   0.06  -0.18    -0.03  -0.02   0.07     0.03   0.07  -0.23
   125   1     0.04   0.08  -0.18    -0.01  -0.02   0.06     0.02   0.08  -0.26
   126  17     0.08   0.04  -0.00    -0.01   0.02   0.00     0.00  -0.00   0.00
                     34                     35                     36
                      A                      A                      A
 Frequencies --    155.4346               158.9855               174.0818
 Red. masses --      5.2601                 6.0372                 6.0936
 Frc consts  --      0.0749                 0.0899                 0.1088
 IR Inten    --      8.5670                 9.3392                 0.5723
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.01   0.02    -0.10   0.02  -0.03     0.04  -0.07   0.05
     2   6    -0.01  -0.01   0.02    -0.06   0.02  -0.05    -0.02  -0.07   0.09
     3   6    -0.03   0.01   0.00    -0.04  -0.02  -0.02    -0.06  -0.03   0.01
     4   6    -0.03   0.04  -0.01    -0.04  -0.04   0.02    -0.05  -0.01  -0.02
     5   6     0.01   0.05  -0.01    -0.08  -0.05   0.04     0.01   0.01  -0.04
     6   6     0.03   0.02   0.01    -0.11  -0.02   0.01     0.05  -0.03  -0.01
     7   6    -0.03   0.00   0.00    -0.04  -0.03  -0.01    -0.07  -0.01  -0.04
     8   6    -0.05   0.03  -0.02    -0.04  -0.04  -0.01    -0.05  -0.03   0.02
     9   6    -0.05   0.06  -0.04    -0.04  -0.05   0.02    -0.06  -0.02   0.04
    10   6    -0.05   0.06  -0.02    -0.02  -0.05   0.02    -0.05  -0.01  -0.01
    11   6    -0.04  -0.03   0.02    -0.04  -0.04   0.01    -0.06   0.05  -0.12
    12   6    -0.06  -0.04   0.02    -0.04  -0.04   0.00     0.01   0.08  -0.07
    13   6    -0.09  -0.01   0.02    -0.04  -0.04  -0.03     0.03   0.05  -0.01
    14   6    -0.08   0.02  -0.01    -0.04  -0.04  -0.04     0.01  -0.01   0.02
    15   7    -0.04   0.06  -0.04    -0.06  -0.04   0.05    -0.07  -0.02   0.06
    16   6    -0.04   0.04  -0.01    -0.05  -0.01   0.03    -0.07  -0.01   0.03
    17   6    -0.05   0.04   0.01    -0.02  -0.00  -0.01    -0.05  -0.00   0.01
    18   7    -0.06   0.05  -0.00    -0.01  -0.02   0.00    -0.05  -0.01  -0.01
    19   6    -0.01   0.01   0.01    -0.09   0.03   0.03    -0.08   0.00  -0.02
    20   6    -0.02  -0.03   0.03    -0.07   0.09  -0.02    -0.07   0.02  -0.05
    21   6    -0.04  -0.04   0.02    -0.02   0.10  -0.04    -0.05   0.02  -0.02
    22   6    -0.07  -0.00   0.03     0.01   0.06  -0.05    -0.05   0.01  -0.00
    23   6     0.04  -0.03   0.00    -0.11   0.05  -0.01     0.09  -0.11   0.02
    24   6    -0.05  -0.07   0.00    -0.03  -0.04   0.02     0.03   0.16  -0.00
    25   6    -0.04  -0.07  -0.01     0.00   0.13  -0.01    -0.04   0.04   0.00
    26   6    -0.01  -0.05   0.01    -0.00  -0.03   0.03    -0.00   0.18   0.04
    27   6     0.00  -0.02   0.01     0.01  -0.01   0.03    -0.02   0.11   0.05
    28   6    -0.00  -0.01  -0.00    -0.00  -0.00   0.01     0.01   0.04   0.01
    29   6    -0.05  -0.05  -0.03    -0.03  -0.02   0.00     0.06   0.09   0.05
    30   6    -0.06  -0.09  -0.04    -0.04  -0.04   0.01     0.07   0.15   0.04
    31   6     0.02  -0.03  -0.00    -0.06   0.06  -0.01     0.07  -0.14  -0.01
    32   6     0.01  -0.02  -0.00    -0.02   0.03  -0.01     0.03  -0.10  -0.02
    33   6     0.00  -0.00  -0.00    -0.02   0.01  -0.00     0.02  -0.03   0.00
    34   6     0.03  -0.01  -0.01    -0.09   0.02   0.03     0.08  -0.04  -0.02
    35   6     0.04  -0.02  -0.01    -0.13   0.05   0.03     0.12  -0.09  -0.01
    36   6    -0.06  -0.08  -0.04     0.04   0.10  -0.01    -0.03   0.03   0.01
    37   6    -0.04  -0.04  -0.03     0.03   0.04  -0.00    -0.02   0.02   0.01
    38   6    -0.00  -0.01  -0.00     0.00   0.02  -0.00    -0.02   0.01   0.01
    39   6     0.01  -0.03  -0.00    -0.03   0.09   0.03    -0.03   0.04   0.02
    40   6    -0.01  -0.06  -0.00    -0.01   0.15   0.03    -0.03   0.06   0.03
    41   7    -0.01   0.01  -0.00     0.03  -0.01   0.00    -0.03   0.02   0.00
    42   7     0.02   0.02  -0.00     0.01   0.01  -0.01    -0.01  -0.04  -0.02
    43   7     0.02   0.02   0.00    -0.00  -0.04   0.00    -0.01  -0.01  -0.01
    44   6     0.03   0.03  -0.05     0.01   0.01  -0.03    -0.00  -0.05  -0.01
    45   6     0.03   0.01  -0.00     0.01   0.01  -0.01    -0.00  -0.03   0.01
    46   6     0.03   0.01  -0.02     0.01   0.00  -0.02    -0.01  -0.03   0.01
    47   6     0.03   0.00   0.04     0.01   0.00  -0.00    -0.02  -0.04  -0.01
    48   6    -0.01   0.00   0.01     0.04   0.00  -0.02    -0.03   0.03  -0.01
    49   6    -0.01   0.00  -0.01     0.03   0.01   0.02    -0.02   0.02  -0.02
    50   6    -0.01   0.01  -0.01     0.03  -0.01   0.01    -0.02   0.02  -0.02
    51   6    -0.01   0.01  -0.01     0.04  -0.01   0.03    -0.02   0.03  -0.00
    52   6     0.02   0.03  -0.03     0.02  -0.04  -0.01     0.01  -0.01  -0.01
    53   6     0.02   0.01  -0.00     0.02  -0.03   0.02     0.01  -0.00   0.00
    54   6     0.02   0.01  -0.01     0.01  -0.03   0.02    -0.00  -0.01  -0.00
    55   6     0.02   0.01   0.03     0.00  -0.04   0.03     0.00  -0.01   0.00
    56   6     0.06   0.00  -0.12     0.02  -0.01  -0.03    -0.02  -0.01   0.00
    57   6     0.09  -0.01  -0.09     0.04  -0.02  -0.01    -0.04  -0.01  -0.02
    58   6     0.09  -0.04   0.07     0.04  -0.02   0.02    -0.05  -0.02  -0.03
    59   6     0.06  -0.02   0.13     0.03  -0.00   0.03    -0.04  -0.04  -0.01
    60   6     0.05   0.04  -0.12     0.02   0.01  -0.04     0.04  -0.07  -0.02
    61   6     0.05   0.02  -0.04     0.03   0.00  -0.01     0.07  -0.05  -0.03
    62   6     0.03  -0.02   0.12     0.03  -0.00   0.04     0.07  -0.02  -0.01
    63   6     0.03  -0.02   0.12     0.02   0.00   0.03     0.03  -0.01   0.01
    64   6    -0.00   0.00   0.02     0.03   0.01  -0.06     0.02   0.02  -0.01
    65   6     0.00   0.00   0.03     0.04   0.02  -0.07     0.05   0.04   0.02
    66   6    -0.01   0.01   0.00     0.05   0.01   0.01     0.04   0.07   0.02
    67   6    -0.01   0.01  -0.02     0.05  -0.01   0.06    -0.00   0.07   0.01
    68   6    -0.02  -0.01   0.02     0.07   0.04  -0.07    -0.04   0.02  -0.00
    69   6    -0.02  -0.02   0.02     0.08   0.08  -0.05    -0.04   0.00   0.02
    70   6    -0.02  -0.02  -0.01     0.07   0.08   0.03    -0.03  -0.01   0.03
    71   6    -0.01  -0.01  -0.02     0.04   0.05   0.06    -0.02   0.01   0.00
    72   6     0.04   0.00  -0.08     0.01  -0.02  -0.05     0.02  -0.04  -0.02
    73   6     0.06  -0.01  -0.05     0.02  -0.02  -0.07     0.04  -0.04  -0.02
    74   6     0.06  -0.02   0.05     0.01  -0.04   0.00     0.05  -0.04   0.00
    75   6     0.05  -0.01   0.09     0.00  -0.05   0.06     0.03  -0.01   0.01
    76   6     0.02   0.04  -0.07     0.07  -0.05  -0.06     0.05  -0.03  -0.03
    77   6     0.01   0.02  -0.02     0.11  -0.04  -0.05     0.08  -0.02  -0.01
    78   6     0.01  -0.01   0.08     0.10  -0.02   0.02     0.08   0.00   0.02
    79   6     0.01  -0.01   0.07     0.06  -0.01   0.06     0.04   0.02   0.03
    80   1    -0.03   0.06  -0.04    -0.06  -0.04   0.04    -0.06  -0.02   0.05
    81   1    -0.01  -0.04   0.04    -0.06   0.04  -0.09    -0.03  -0.11   0.15
    82   1     0.01   0.07  -0.02    -0.08  -0.08   0.07     0.02   0.05  -0.08
    83   1     0.05   0.03   0.01    -0.13  -0.02   0.03     0.08  -0.02  -0.04
    84   1    -0.02  -0.05   0.03    -0.04  -0.03   0.03    -0.09   0.08  -0.19
    85   1    -0.12  -0.02   0.04    -0.04  -0.04  -0.05     0.07   0.05   0.01
    86   1    -0.09   0.04  -0.02    -0.04  -0.04  -0.06     0.04  -0.04   0.06
    87   1     0.03   0.02   0.01    -0.13   0.02   0.05    -0.09  -0.00  -0.03
    88   1     0.00  -0.05   0.04    -0.10   0.12  -0.03    -0.08   0.03  -0.09
    89   1    -0.11  -0.01   0.04     0.05   0.07  -0.07    -0.04   0.01   0.01
    90   1     0.01  -0.06   0.03     0.01  -0.03   0.04    -0.03   0.21   0.05
    91   1     0.02  -0.01   0.02     0.02   0.00   0.03    -0.06   0.11   0.05
    92   1    -0.07  -0.04  -0.05    -0.05  -0.01  -0.01     0.08   0.07   0.06
    93   1    -0.08  -0.11  -0.06    -0.05  -0.05  -0.00     0.12   0.17   0.05
    94   1     0.02  -0.05   0.00    -0.04   0.09  -0.03     0.07  -0.18  -0.02
    95   1    -0.01  -0.02  -0.00     0.01   0.03  -0.02    -0.01  -0.11  -0.03
    96   1     0.03   0.00  -0.02    -0.11  -0.01   0.05     0.09  -0.02  -0.04
    97   1     0.06  -0.02  -0.02    -0.17   0.06   0.05     0.17  -0.08  -0.02
    98   1    -0.08  -0.10  -0.05     0.08   0.10  -0.02    -0.01   0.02  -0.00
    99   1    -0.06  -0.03  -0.04     0.05   0.01  -0.01    -0.03   0.02   0.01
   100   1     0.02  -0.02   0.00    -0.07   0.09   0.05    -0.04   0.04   0.03
   101   1     0.01  -0.08   0.00    -0.03   0.19   0.05    -0.03   0.06   0.04
   102   1     0.05   0.00  -0.23     0.02  -0.02  -0.06    -0.01  -0.00   0.01
   103   1     0.11  -0.01  -0.17     0.04  -0.02  -0.02    -0.05   0.01  -0.03
   104   1     0.11  -0.05   0.13     0.05  -0.02   0.04    -0.06  -0.02  -0.04
   105   1     0.07  -0.02   0.22     0.04   0.00   0.05    -0.05  -0.05  -0.01
   106   1     0.05   0.06  -0.21     0.03   0.01  -0.07     0.04  -0.10  -0.03
   107   1     0.05   0.03  -0.07     0.03   0.00  -0.01     0.09  -0.05  -0.04
   108   1     0.03  -0.04   0.22     0.03  -0.01   0.08     0.09  -0.01  -0.02
   109   1     0.02  -0.03   0.22     0.02   0.00   0.07     0.03   0.02   0.03
   110   1     0.00  -0.00   0.04     0.03   0.00  -0.11     0.04  -0.01  -0.02
   111   1     0.01  -0.00   0.05     0.03   0.03  -0.13     0.08   0.04   0.03
   112   1    -0.00   0.01  -0.00     0.06   0.01   0.01     0.05   0.08   0.04
   113   1    -0.02   0.02  -0.03     0.05  -0.00   0.10    -0.02   0.09   0.01
   114   1    -0.03  -0.01   0.04     0.10   0.02  -0.11    -0.05   0.02  -0.01
   115   1    -0.03  -0.03   0.03     0.10   0.10  -0.09    -0.04  -0.01   0.03
   116   1    -0.02  -0.02  -0.02     0.07   0.10   0.06    -0.02  -0.02   0.05
   117   1    -0.01  -0.01  -0.04     0.01   0.06   0.12    -0.01   0.00   0.00
   118   1     0.03   0.00  -0.16     0.01  -0.01  -0.10     0.00  -0.06  -0.04
   119   1     0.08  -0.01  -0.11     0.02  -0.00  -0.13     0.05  -0.05  -0.03
   120   1     0.08  -0.03   0.09     0.01  -0.04   0.00     0.07  -0.04   0.01
   121   1     0.05  -0.01   0.15     0.00  -0.06   0.10     0.05   0.01   0.03
   122   1     0.03   0.06  -0.13     0.07  -0.08  -0.10     0.05  -0.07  -0.05
   123   1     0.01   0.03  -0.04     0.13  -0.04  -0.09     0.10  -0.03  -0.02
   124   1    -0.00  -0.03   0.14     0.12  -0.02   0.05     0.10   0.01   0.04
   125   1     0.00  -0.02   0.14     0.05   0.02   0.12     0.04   0.05   0.06
   126  17     0.05   0.10  -0.00     0.08  -0.08  -0.00     0.03  -0.02  -0.00
                     37                     38                     39
                      A                      A                      A
 Frequencies --    197.5350               199.0311               213.7689
 Red. masses --      9.9123                 6.6625                 5.2209
 Frc consts  --      0.2279                 0.1555                 0.1406
 IR Inten    --     49.5566                 7.7296                 0.8580
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06  -0.07  -0.01     0.03  -0.01  -0.05    -0.06   0.01   0.09
     2   6    -0.03  -0.06  -0.01     0.02  -0.01  -0.11    -0.03   0.02   0.18
     3   6    -0.00  -0.08   0.01     0.01  -0.00  -0.06    -0.01   0.00   0.06
     4   6    -0.00  -0.08   0.02     0.01   0.01  -0.00    -0.01   0.00   0.01
     5   6    -0.04  -0.10   0.02     0.02   0.01  -0.00    -0.04  -0.01  -0.01
     6   6    -0.06  -0.08  -0.00     0.03   0.00  -0.01    -0.06   0.01  -0.00
     7   6     0.02  -0.07   0.02    -0.00  -0.01  -0.02    -0.01   0.00  -0.06
     8   6     0.02  -0.08   0.02    -0.01   0.01   0.06    -0.00   0.00  -0.04
     9   6     0.00  -0.06   0.00    -0.00   0.03   0.16     0.01   0.01  -0.02
    10   6     0.00  -0.07   0.01    -0.01   0.02   0.05     0.01   0.00  -0.02
    11   6     0.03  -0.04   0.01    -0.01  -0.03  -0.06    -0.02  -0.02  -0.16
    12   6     0.07  -0.02  -0.00    -0.03  -0.04  -0.06    -0.04  -0.02  -0.06
    13   6     0.09  -0.04   0.01    -0.04  -0.03  -0.13    -0.04  -0.02   0.03
    14   6     0.08  -0.06   0.02    -0.03   0.00  -0.05    -0.03  -0.00   0.01
    15   7    -0.02  -0.02  -0.02     0.01   0.02   0.24     0.02   0.00  -0.02
    16   6    -0.01  -0.02  -0.02     0.01  -0.01   0.07     0.03  -0.00   0.01
    17   6    -0.01  -0.03  -0.01    -0.00  -0.02  -0.05     0.03  -0.00   0.02
    18   7     0.01  -0.05  -0.00    -0.01   0.00  -0.05     0.02   0.00   0.01
    19   6    -0.03  -0.01   0.01     0.03  -0.04  -0.06     0.04  -0.00   0.01
    20   6    -0.03  -0.01   0.03     0.02  -0.08  -0.18     0.05   0.00   0.01
    21   6    -0.02  -0.01   0.01     0.01  -0.08  -0.11     0.06   0.00   0.01
    22   6    -0.01  -0.01  -0.00    -0.01  -0.06  -0.14     0.05   0.01   0.03
    23   6    -0.08  -0.05  -0.01     0.02   0.01   0.01    -0.05  -0.01   0.00
    24   6     0.08  -0.01  -0.01    -0.03  -0.03   0.03    -0.04  -0.02   0.00
    25   6    -0.02  -0.01   0.00     0.01  -0.05   0.04     0.07   0.01  -0.01
    26   6     0.07  -0.02  -0.03    -0.02  -0.00   0.07    -0.04   0.00   0.04
    27   6     0.06  -0.02  -0.02    -0.01   0.01   0.09    -0.04   0.01   0.06
    28   6     0.05  -0.01  -0.01    -0.02   0.00   0.06    -0.04   0.01   0.05
    29   6     0.07   0.00  -0.00    -0.03   0.01   0.08    -0.04   0.02   0.07
    30   6     0.08   0.01   0.00    -0.03  -0.01   0.06    -0.04  -0.00   0.04
    31   6    -0.06  -0.05  -0.01     0.00   0.03   0.05    -0.03  -0.04  -0.05
    32   6    -0.06  -0.05  -0.00    -0.01   0.03   0.06    -0.01  -0.05  -0.09
    33   6    -0.05  -0.04   0.00     0.00   0.02   0.04    -0.02  -0.04  -0.07
    34   6    -0.08  -0.04   0.01    -0.01   0.03   0.06    -0.00  -0.05  -0.10
    35   6    -0.09  -0.03   0.01    -0.00   0.02   0.05    -0.02  -0.03  -0.05
    36   6    -0.03  -0.02  -0.01     0.03   0.01   0.12     0.09   0.01  -0.00
    37   6    -0.03  -0.02  -0.01     0.03   0.03   0.15     0.08   0.00  -0.01
    38   6    -0.02  -0.00  -0.00     0.02   0.00   0.09     0.07  -0.01  -0.02
    39   6    -0.02  -0.01  -0.01     0.04   0.02   0.14     0.07  -0.00  -0.02
    40   6    -0.02  -0.02  -0.00     0.02  -0.00   0.11     0.07   0.00  -0.02
    41   7    -0.03  -0.04   0.00     0.01   0.00  -0.02    -0.03  -0.02   0.02
    42   7     0.04  -0.01   0.01    -0.01   0.00  -0.03    -0.03   0.01  -0.01
    43   7    -0.01   0.01   0.00     0.01  -0.01  -0.05     0.06  -0.02   0.00
    44   6     0.02  -0.01   0.02    -0.00   0.01  -0.05    -0.02   0.01  -0.04
    45   6     0.02  -0.02   0.01    -0.00   0.01  -0.04    -0.03   0.02  -0.03
    46   6     0.03  -0.00   0.01    -0.01   0.01  -0.04    -0.03   0.01  -0.04
    47   6     0.02  -0.02   0.00    -0.00   0.01  -0.05    -0.02   0.02  -0.03
    48   6    -0.01  -0.03  -0.01     0.01   0.00  -0.03    -0.02  -0.02   0.04
    49   6    -0.03  -0.02   0.01     0.01   0.00  -0.03    -0.03  -0.02   0.05
    50   6    -0.01  -0.04   0.00     0.00   0.01  -0.03    -0.01  -0.03   0.04
    51   6    -0.02  -0.02   0.01     0.00   0.00  -0.03    -0.02  -0.02   0.05
    52   6    -0.00   0.01   0.00     0.01   0.00  -0.07     0.04  -0.02   0.02
    53   6    -0.01   0.01   0.00     0.01   0.00  -0.07     0.05  -0.04   0.01
    54   6    -0.01   0.00  -0.00     0.01   0.01  -0.07     0.06  -0.01   0.02
    55   6    -0.00   0.01   0.01     0.01   0.00  -0.08     0.04  -0.03   0.01
    56   6    -0.01   0.07   0.03    -0.00  -0.02  -0.00    -0.01  -0.04  -0.01
    57   6    -0.07   0.08   0.01     0.01  -0.03   0.03     0.02  -0.06   0.02
    58   6    -0.10   0.05  -0.01     0.01  -0.01  -0.00     0.04  -0.03  -0.00
    59   6    -0.06  -0.01  -0.01     0.01   0.01  -0.04     0.02   0.02  -0.03
    60   6    -0.04   0.03   0.03     0.02  -0.00  -0.05     0.02  -0.02  -0.05
    61   6    -0.10   0.00   0.00     0.04  -0.01  -0.00     0.06  -0.00  -0.00
    62   6    -0.10  -0.03  -0.04     0.03  -0.00   0.05     0.06   0.02   0.04
    63   6    -0.04  -0.06  -0.03     0.01   0.01   0.02     0.02   0.04   0.02
    64   6     0.07  -0.04  -0.03    -0.02   0.00   0.01     0.04  -0.03  -0.03
    65   6     0.11   0.02  -0.03    -0.02  -0.02   0.03     0.06   0.02  -0.05
    66   6     0.10   0.05  -0.00    -0.02  -0.03  -0.01     0.06   0.05   0.01
    67   6     0.02   0.05   0.02    -0.01  -0.02  -0.04     0.01   0.04   0.06
    68   6     0.07   0.02  -0.02    -0.00  -0.00  -0.03     0.02  -0.00   0.04
    69   6     0.07   0.10  -0.01     0.00  -0.01  -0.00     0.01   0.04   0.01
    70   6     0.03   0.12   0.02     0.01  -0.02   0.02    -0.02   0.06  -0.02
    71   6    -0.03   0.08   0.03     0.01  -0.01  -0.00    -0.04   0.03   0.01
    72   6     0.00  -0.02  -0.01    -0.01   0.02   0.02     0.02   0.08   0.03
    73   6     0.03  -0.02  -0.01    -0.05   0.02   0.06    -0.06   0.10   0.01
    74   6     0.03  -0.01   0.01    -0.06   0.02  -0.01    -0.09   0.05  -0.00
    75   6     0.02   0.01   0.01    -0.03   0.00  -0.09    -0.05  -0.03  -0.00
    76   6     0.01  -0.00  -0.00     0.00   0.01  -0.07    -0.03   0.03   0.03
    77   6     0.02   0.00   0.00    -0.02  -0.01  -0.01    -0.10  -0.00  -0.00
    78   6     0.02   0.01   0.01    -0.02  -0.04   0.05    -0.10  -0.05  -0.04
    79   6     0.01   0.02   0.01    -0.01  -0.03   0.00    -0.03  -0.08  -0.03
    80   1    -0.03  -0.09  -0.02     0.02   0.01   0.23     0.02  -0.00  -0.02
    81   1    -0.02  -0.03  -0.02     0.02  -0.02  -0.16    -0.03   0.03   0.28
    82   1    -0.04  -0.13   0.02     0.02   0.03   0.03    -0.04  -0.03  -0.06
    83   1    -0.07  -0.09  -0.01     0.04   0.01   0.02    -0.06   0.00  -0.07
    84   1     0.01  -0.01   0.01     0.00  -0.05  -0.06    -0.01  -0.03  -0.25
    85   1     0.10  -0.03   0.00    -0.06  -0.03  -0.20    -0.05  -0.02   0.11
    86   1     0.09  -0.07   0.03    -0.05   0.02  -0.07    -0.04   0.01   0.04
    87   1    -0.06  -0.01   0.01     0.06  -0.03  -0.07     0.04  -0.00   0.01
    88   1    -0.03  -0.00   0.05     0.03  -0.09  -0.27     0.04   0.01   0.00
    89   1    -0.01  -0.01  -0.01    -0.04  -0.07  -0.15     0.05   0.01   0.04
    90   1     0.06  -0.02  -0.04    -0.02  -0.01   0.07    -0.05   0.00   0.04
    91   1     0.07  -0.02  -0.03    -0.00   0.02   0.09    -0.04   0.01   0.06
    92   1     0.08   0.00   0.01    -0.03   0.02   0.08    -0.03   0.03   0.08
    93   1     0.08   0.02   0.02    -0.03  -0.02   0.05    -0.03  -0.01   0.03
    94   1    -0.06  -0.04  -0.02     0.00   0.03   0.04    -0.03  -0.05  -0.05
    95   1    -0.06  -0.05  -0.00    -0.00   0.03   0.06    -0.02  -0.06  -0.10
    96   1    -0.09  -0.04   0.02    -0.01   0.04   0.07     0.01  -0.06  -0.11
    97   1    -0.10  -0.03   0.03    -0.01   0.02   0.04    -0.01  -0.02  -0.04
    98   1    -0.04  -0.03  -0.02     0.03   0.00   0.11     0.10   0.03   0.01
    99   1    -0.03  -0.01  -0.02     0.03   0.04   0.16     0.09   0.00  -0.00
   100   1    -0.01  -0.01  -0.00     0.05   0.03   0.14     0.07  -0.01  -0.02
   101   1    -0.01  -0.02   0.00     0.02  -0.01   0.09     0.07  -0.00  -0.03
   102   1     0.03   0.13   0.06    -0.01  -0.04   0.02    -0.03  -0.08  -0.01
   103   1    -0.09   0.12   0.01     0.01  -0.05   0.08     0.03  -0.09   0.05
   104   1    -0.14   0.05  -0.02     0.02  -0.02   0.01     0.06  -0.03   0.01
   105   1    -0.09  -0.07  -0.03     0.02   0.03  -0.06     0.04   0.05  -0.03
   106   1    -0.05   0.09   0.06     0.02  -0.02  -0.08     0.02  -0.05  -0.07
   107   1    -0.14   0.02   0.01     0.05  -0.02   0.01     0.09  -0.02  -0.00
   108   1    -0.13  -0.05  -0.06     0.04  -0.01   0.10     0.08   0.02   0.09
   109   1    -0.04  -0.12  -0.07     0.01   0.03   0.05     0.01   0.08   0.06
   110   1     0.10  -0.10  -0.07    -0.02   0.02   0.03     0.06  -0.07  -0.07
   111   1     0.15   0.02  -0.05    -0.03  -0.02   0.06     0.09   0.03  -0.11
   112   1     0.12   0.09   0.00    -0.03  -0.04  -0.00     0.08   0.08   0.00
   113   1    -0.01   0.11   0.04    -0.00  -0.03  -0.05    -0.01   0.08   0.09
   114   1     0.13  -0.02  -0.04    -0.01   0.01  -0.04     0.05  -0.02   0.05
   115   1     0.11   0.13  -0.02     0.00  -0.02   0.00     0.03   0.06  -0.00
   116   1     0.03   0.17   0.03     0.02  -0.03   0.04    -0.03   0.09  -0.07
   117   1    -0.10   0.11   0.07     0.02  -0.02   0.01    -0.08   0.05   0.00
   118   1    -0.01  -0.03  -0.02     0.00   0.04   0.07     0.06   0.15   0.06
   119   1     0.03  -0.03  -0.01    -0.07   0.02   0.14    -0.09   0.14   0.00
   120   1     0.05  -0.01   0.01    -0.08   0.01   0.00    -0.15   0.06  -0.02
   121   1     0.03   0.02   0.02    -0.05  -0.02  -0.12    -0.09  -0.09  -0.02
   122   1     0.01  -0.01  -0.01     0.00   0.03  -0.09    -0.03   0.09   0.05
   123   1     0.03   0.00  -0.00    -0.02  -0.02   0.01    -0.14   0.02   0.00
   124   1     0.03   0.01   0.01    -0.03  -0.06   0.12    -0.13  -0.06  -0.07
   125   1     0.01   0.03   0.01    -0.01  -0.05   0.03    -0.03  -0.15  -0.07
   126  17     0.02   0.38  -0.02    -0.00   0.10  -0.02     0.00   0.04  -0.00
                     40                     41                     42
                      A                      A                      A
 Frequencies --    219.0471               229.2433               234.7817
 Red. masses --      5.2169                 5.9243                 6.3620
 Frc consts  --      0.1475                 0.1834                 0.2066
 IR Inten    --      0.0540                 5.9214                18.2752
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.05  -0.06    -0.04   0.03   0.10    -0.02   0.02   0.07
     2   6    -0.00  -0.04  -0.17    -0.04   0.04   0.01    -0.03   0.01   0.03
     3   6    -0.03  -0.01  -0.07    -0.03   0.04  -0.08    -0.03  -0.01  -0.04
     4   6    -0.02   0.00  -0.04    -0.03   0.04  -0.15    -0.03  -0.03  -0.08
     5   6    -0.00   0.00  -0.01    -0.04   0.05  -0.05    -0.03  -0.03  -0.02
     6   6     0.02  -0.02   0.02    -0.04   0.05   0.12    -0.03  -0.01   0.07
     7   6    -0.03   0.01   0.06     0.01   0.04  -0.03    -0.02  -0.01  -0.03
     8   6    -0.01  -0.00   0.01     0.01   0.05  -0.05    -0.01  -0.03  -0.07
     9   6    -0.00  -0.00  -0.01    -0.00   0.04  -0.00    -0.02  -0.06  -0.05
    10   6    -0.00  -0.00  -0.01    -0.02   0.04  -0.11    -0.02  -0.07  -0.06
    11   6    -0.02   0.05   0.19     0.02   0.04   0.07    -0.02   0.01   0.05
    12   6    -0.01   0.06   0.09     0.03   0.03   0.08     0.00   0.02   0.07
    13   6     0.01   0.04   0.00     0.01   0.05   0.01     0.02   0.00   0.06
    14   6     0.00   0.00   0.00     0.01   0.05  -0.06     0.02  -0.02  -0.03
    15   7     0.00  -0.01  -0.00     0.01   0.03   0.16    -0.01  -0.07   0.04
    16   6     0.01  -0.01   0.01     0.00   0.02   0.12    -0.02  -0.11   0.08
    17   6     0.01  -0.01   0.01    -0.01   0.02   0.06    -0.01  -0.11   0.07
    18   7     0.00  -0.00   0.00    -0.03   0.03  -0.05    -0.02  -0.10   0.02
    19   6     0.01  -0.01   0.01     0.01   0.01   0.00    -0.05  -0.09   0.05
    20   6     0.01  -0.00   0.00     0.01  -0.01  -0.15    -0.05  -0.06  -0.05
    21   6     0.03  -0.00  -0.00    -0.01  -0.01  -0.04    -0.01  -0.04  -0.04
    22   6     0.02  -0.00   0.01    -0.02   0.00   0.06     0.01  -0.08   0.05
    23   6     0.02  -0.07   0.01    -0.00  -0.03   0.05     0.01   0.04   0.03
    24   6    -0.02   0.07  -0.01     0.03  -0.04   0.05    -0.00   0.02   0.03
    25   6     0.04   0.01  -0.01    -0.00  -0.00  -0.02     0.02   0.05  -0.05
    26   6    -0.03   0.05  -0.04     0.04  -0.08  -0.02    -0.00  -0.01  -0.02
    27   6    -0.04   0.03  -0.09     0.04  -0.09  -0.05    -0.01  -0.02  -0.07
    28   6    -0.04   0.03  -0.08     0.04  -0.07  -0.03    -0.02  -0.00  -0.06
    29   6    -0.05   0.02  -0.11     0.02  -0.10  -0.05    -0.03  -0.02  -0.07
    30   6    -0.04   0.04  -0.07     0.02  -0.08  -0.00    -0.03  -0.00  -0.02
    31   6     0.01  -0.06   0.04     0.01  -0.08  -0.03     0.04   0.03  -0.01
    32   6    -0.01  -0.05   0.07     0.03  -0.10  -0.08     0.06   0.02  -0.06
    33   6    -0.01  -0.05   0.07     0.01  -0.06  -0.05     0.06   0.05  -0.05
    34   6    -0.01  -0.04   0.09     0.04  -0.08  -0.07     0.07   0.04  -0.07
    35   6    -0.00  -0.06   0.06     0.03  -0.06  -0.01     0.05   0.05  -0.03
    36   6     0.05   0.02   0.00     0.01   0.01   0.02     0.03   0.09  -0.01
    37   6     0.05   0.01  -0.00     0.01   0.02   0.05     0.04   0.10   0.01
    38   6     0.05   0.00  -0.01     0.00   0.01   0.04     0.03   0.07  -0.02
    39   6     0.04   0.01  -0.01    -0.00   0.02   0.04     0.04   0.10   0.00
    40   6     0.05   0.01  -0.01    -0.00   0.01   0.01     0.04   0.08  -0.01
    41   7    -0.03  -0.03  -0.00    -0.04  -0.02   0.01     0.06   0.07  -0.00
    42   7    -0.04   0.01   0.01     0.06  -0.00   0.01    -0.01   0.01  -0.00
    43   7     0.04  -0.01  -0.00    -0.00  -0.00  -0.00     0.01  -0.01  -0.02
    44   6    -0.04  -0.01   0.05     0.06   0.01   0.02    -0.02   0.00   0.03
    45   6    -0.05   0.00   0.06     0.06  -0.01  -0.00    -0.02   0.00   0.04
    46   6    -0.05  -0.01   0.06     0.07   0.01   0.01    -0.02  -0.00   0.04
    47   6    -0.04   0.00   0.06     0.05   0.00   0.01    -0.01   0.01   0.03
    48   6    -0.03  -0.01  -0.05    -0.03  -0.01   0.02     0.05   0.07   0.03
    49   6    -0.05  -0.01  -0.05    -0.05  -0.02   0.02     0.08   0.06   0.02
    50   6    -0.04  -0.02  -0.05    -0.04  -0.03   0.01     0.06   0.08   0.04
    51   6    -0.04  -0.01  -0.04    -0.04  -0.01   0.02     0.07   0.05   0.02
    52   6     0.03  -0.01   0.01    -0.00  -0.00  -0.02    -0.00  -0.03   0.02
    53   6     0.03  -0.03   0.01     0.00   0.00  -0.02     0.00  -0.04   0.03
    54   6     0.04  -0.01   0.01     0.00   0.00  -0.02     0.00  -0.03   0.03
    55   6     0.03  -0.02   0.00    -0.00  -0.00  -0.02     0.00  -0.04   0.02
    56   6    -0.01  -0.06  -0.03     0.04   0.07   0.02    -0.00  -0.02  -0.01
    57   6     0.05  -0.06  -0.07    -0.01   0.08   0.02     0.02  -0.01  -0.04
    58   6     0.06  -0.04   0.01    -0.02   0.05   0.01     0.03  -0.01   0.01
    59   6     0.02  -0.00   0.08     0.00   0.00   0.00     0.01   0.00   0.04
    60   6     0.01  -0.04   0.05    -0.02   0.06   0.02    -0.01  -0.01   0.04
    61   6     0.07   0.00   0.01    -0.10   0.02   0.01     0.01   0.01   0.01
    62   6     0.07   0.05  -0.04    -0.10  -0.03  -0.02     0.01   0.03  -0.02
    63   6     0.01   0.06   0.02    -0.02  -0.06  -0.03    -0.00   0.02   0.00
    64   6     0.04  -0.04  -0.01     0.03  -0.03  -0.02    -0.06   0.10   0.03
    65   6     0.08  -0.00   0.03     0.07   0.03  -0.02    -0.12   0.03   0.00
    66   6     0.05   0.03  -0.00     0.06   0.06   0.01    -0.09  -0.03   0.01
    67   6    -0.01   0.04  -0.04    -0.01   0.05   0.03     0.02  -0.03   0.02
    68   6     0.01   0.01  -0.06    -0.01  -0.00   0.02    -0.04   0.01   0.05
    69   6     0.02   0.05  -0.00    -0.01   0.04   0.01    -0.05  -0.10   0.01
    70   6     0.01   0.06   0.06    -0.03   0.05   0.01     0.00  -0.12  -0.05
    71   6    -0.04   0.04   0.03    -0.06   0.03   0.01     0.09  -0.07  -0.04
    72   6     0.01   0.05   0.02    -0.00   0.00   0.00    -0.01   0.01   0.01
    73   6    -0.04   0.06   0.00    -0.01  -0.00   0.02    -0.04   0.02  -0.04
    74   6    -0.06   0.03  -0.00    -0.01  -0.00  -0.01    -0.05  -0.00  -0.01
    75   6    -0.03  -0.02  -0.00    -0.01  -0.00  -0.03    -0.04  -0.04   0.02
    76   6    -0.01   0.01   0.02     0.00  -0.00  -0.02     0.01  -0.04   0.03
    77   6    -0.05  -0.01  -0.00     0.01  -0.01  -0.01     0.02  -0.03  -0.01
    78   6    -0.05  -0.03  -0.03     0.01  -0.01   0.02     0.02  -0.02  -0.04
    79   6    -0.01  -0.05  -0.02     0.00  -0.00   0.00     0.01  -0.03  -0.00
    80   1     0.01  -0.01   0.00     0.02   0.05   0.16     0.00  -0.11   0.04
    81   1    -0.01  -0.05  -0.28    -0.04   0.04  -0.00    -0.03   0.01   0.05
    82   1     0.00   0.02   0.03    -0.04   0.04  -0.07    -0.03  -0.03  -0.04
    83   1     0.05  -0.01   0.11    -0.03   0.05   0.22    -0.06  -0.02   0.10
    84   1    -0.03   0.05   0.30     0.02   0.05   0.10    -0.03   0.02   0.06
    85   1     0.04   0.04  -0.07    -0.00   0.05  -0.01     0.05   0.01   0.10
    86   1     0.01  -0.01  -0.03     0.01   0.05  -0.11     0.03  -0.03  -0.06
    87   1     0.01  -0.01   0.01     0.03   0.01  -0.04    -0.09  -0.09   0.05
    88   1     0.01   0.00  -0.01     0.01  -0.02  -0.30    -0.07  -0.04  -0.12
    89   1     0.02  -0.00   0.02    -0.03  -0.00   0.10     0.04  -0.07   0.06
    90   1    -0.03   0.07  -0.03     0.05  -0.10  -0.02     0.01  -0.01  -0.01
    91   1    -0.04   0.03  -0.09     0.04  -0.11  -0.07     0.01  -0.03  -0.09
    92   1    -0.05   0.00  -0.13     0.00  -0.10  -0.08    -0.04  -0.02  -0.08
    93   1    -0.06   0.05  -0.06     0.02  -0.07   0.00    -0.05  -0.00  -0.01
    94   1     0.02  -0.08   0.02     0.01  -0.11  -0.02     0.03   0.04   0.01
    95   1    -0.00  -0.06   0.06     0.04  -0.11  -0.11     0.04   0.00  -0.08
    96   1    -0.02  -0.03   0.10     0.06  -0.07  -0.09     0.07   0.03  -0.08
    97   1    -0.01  -0.07   0.05     0.04  -0.05  -0.00     0.09   0.05  -0.02
    98   1     0.06   0.02   0.01     0.03   0.01   0.01     0.04   0.09  -0.00
    99   1     0.05   0.01   0.00     0.02   0.03   0.07     0.04   0.12   0.03
   100   1     0.04   0.01  -0.01    -0.01   0.02   0.04     0.04   0.11   0.02
   101   1     0.05   0.01  -0.02    -0.01   0.01   0.01     0.04   0.09  -0.00
   102   1    -0.04  -0.10  -0.09     0.07   0.12   0.04    -0.01  -0.03  -0.04
   103   1     0.07  -0.07  -0.15    -0.02   0.10   0.03     0.03  -0.02  -0.08
   104   1     0.10  -0.04   0.00    -0.06   0.05   0.01     0.05  -0.01   0.01
   105   1     0.05   0.04   0.11    -0.02  -0.04  -0.02     0.02   0.02   0.06
   106   1     0.01  -0.10   0.06    -0.02   0.14   0.04    -0.01  -0.02   0.05
   107   1     0.10  -0.01  -0.01    -0.15   0.05   0.02     0.02   0.01   0.00
   108   1     0.11   0.09  -0.09    -0.14  -0.06  -0.03     0.02   0.04  -0.06
   109   1     0.01   0.12   0.01    -0.02  -0.15  -0.07    -0.00   0.04  -0.01
   110   1     0.07  -0.09  -0.01     0.06  -0.08  -0.06    -0.11   0.18   0.05
   111   1     0.12  -0.01   0.08     0.11   0.03  -0.05    -0.18   0.04  -0.02
   112   1     0.07   0.06   0.01     0.08   0.10   0.02    -0.12  -0.08  -0.00
   113   1    -0.04   0.09  -0.05    -0.04   0.10   0.05     0.06  -0.11   0.01
   114   1     0.04  -0.00  -0.10     0.01  -0.01   0.01    -0.12   0.06   0.08
   115   1     0.05   0.07   0.00     0.00   0.05   0.01    -0.11  -0.13   0.02
   116   1     0.02   0.08   0.13    -0.04   0.07  -0.01    -0.01  -0.18  -0.10
   117   1    -0.07   0.06   0.07    -0.08   0.05   0.01     0.17  -0.11  -0.10
   118   1     0.04   0.09   0.04    -0.00   0.00   0.02     0.01   0.04   0.01
   119   1    -0.05   0.09  -0.00    -0.01  -0.01   0.04    -0.04   0.05  -0.07
   120   1    -0.09   0.03  -0.01    -0.02  -0.00  -0.00    -0.07  -0.00  -0.02
   121   1    -0.06  -0.06  -0.01    -0.01  -0.00  -0.03    -0.05  -0.07   0.04
   122   1    -0.01   0.05   0.03     0.01  -0.00  -0.03     0.00  -0.06   0.04
   123   1    -0.08   0.01  -0.00     0.01  -0.01  -0.00     0.02  -0.03  -0.02
   124   1    -0.07  -0.04  -0.05     0.01  -0.01   0.04     0.03  -0.01  -0.08
   125   1    -0.01  -0.10  -0.04     0.00  -0.00   0.01     0.01  -0.02  -0.01
   126  17    -0.00   0.01  -0.00    -0.01  -0.07  -0.00     0.00   0.13  -0.01
                     43                     44                     45
                      A                      A                      A
 Frequencies --    242.8467               248.7993               256.8438
 Red. masses --      5.5294                 5.8214                 5.5569
 Frc consts  --      0.1921                 0.2123                 0.2160
 IR Inten    --      4.8691                 9.0406                 0.5183
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.00   0.06    -0.00   0.02  -0.01     0.02  -0.02   0.01
     2   6     0.05   0.01   0.01     0.00   0.03   0.05     0.02  -0.02   0.07
     3   6     0.06  -0.01  -0.03     0.01   0.03   0.03     0.01  -0.02   0.02
     4   6     0.06  -0.03  -0.10     0.01   0.02   0.08     0.02  -0.01   0.04
     5   6     0.03  -0.04  -0.02     0.00   0.02  -0.00     0.02  -0.01   0.00
     6   6     0.01  -0.02   0.10    -0.00   0.02  -0.10     0.02  -0.02  -0.05
     7   6     0.05  -0.01   0.01     0.04   0.05  -0.07    -0.01  -0.03  -0.07
     8   6     0.06  -0.02   0.03     0.05   0.04  -0.10    -0.02  -0.02  -0.13
     9   6     0.06  -0.02   0.02     0.05   0.02  -0.06    -0.01  -0.00  -0.07
    10   6     0.06  -0.03  -0.09     0.02   0.01   0.10     0.00   0.01   0.05
    11   6     0.04  -0.00   0.04     0.05   0.05  -0.08    -0.02  -0.03  -0.04
    12   6     0.02  -0.00   0.01     0.02   0.04   0.03    -0.01  -0.02   0.06
    13   6     0.04  -0.02  -0.03     0.03   0.05   0.09    -0.01  -0.02   0.11
    14   6     0.04  -0.02   0.01     0.04   0.05  -0.04    -0.01  -0.02  -0.06
    15   7     0.05  -0.01   0.10     0.07  -0.02  -0.08    -0.02   0.02  -0.03
    16   6     0.05   0.00   0.05     0.06  -0.05  -0.01    -0.01   0.04   0.04
    17   6     0.05   0.00   0.02     0.03  -0.06   0.02    -0.01   0.05   0.03
    18   7     0.07  -0.02  -0.10     0.01  -0.03   0.16     0.01   0.03   0.12
    19   6     0.04   0.01  -0.04     0.05  -0.05   0.07    -0.00   0.04   0.08
    20   6     0.04   0.02  -0.08     0.04  -0.06   0.04     0.00   0.03  -0.01
    21   6     0.02   0.02   0.04     0.01  -0.07  -0.09    -0.00   0.02  -0.11
    22   6     0.04   0.01   0.08     0.03  -0.08  -0.10    -0.01   0.04  -0.08
    23   6    -0.03   0.03   0.02     0.02  -0.02   0.01    -0.01   0.01   0.00
    24   6    -0.01   0.01  -0.00    -0.00  -0.01   0.04     0.00   0.02   0.04
    25   6    -0.02  -0.01   0.03     0.00  -0.00  -0.07    -0.01  -0.03  -0.07
    26   6    -0.03   0.02   0.01    -0.04  -0.05   0.01     0.05   0.02   0.00
    27   6    -0.04   0.02  -0.00    -0.05  -0.08  -0.01     0.05   0.04  -0.08
    28   6    -0.06   0.03  -0.01    -0.04  -0.05   0.01     0.02   0.05  -0.10
    29   6    -0.04   0.03  -0.02    -0.03  -0.07  -0.01    -0.02   0.06  -0.07
    30   6    -0.04   0.03  -0.01    -0.01  -0.05   0.00    -0.03   0.04   0.01
    31   6    -0.05   0.00  -0.02     0.03  -0.02   0.00    -0.04   0.01   0.00
    32   6    -0.05   0.00  -0.08     0.03  -0.04   0.03    -0.05   0.03  -0.02
    33   6    -0.04   0.01  -0.08     0.01  -0.05   0.04    -0.03   0.03  -0.04
    34   6    -0.02   0.03  -0.07     0.02  -0.07   0.02    -0.02   0.05  -0.03
    35   6    -0.01   0.04  -0.01     0.01  -0.05   0.01    -0.01   0.04  -0.00
    36   6    -0.04  -0.03  -0.00    -0.00   0.06  -0.01     0.05  -0.05  -0.01
    37   6    -0.05  -0.04  -0.01     0.00   0.10   0.05     0.04  -0.06   0.11
    38   6    -0.07  -0.03   0.00    -0.04   0.07   0.04    -0.01  -0.05   0.14
    39   6    -0.06  -0.06  -0.01    -0.01   0.09   0.07    -0.06  -0.03   0.11
    40   6    -0.05  -0.04   0.01    -0.02   0.05   0.01    -0.06  -0.01  -0.01
    41   7    -0.02  -0.01  -0.03    -0.02  -0.03   0.03    -0.01   0.00  -0.04
    42   7    -0.07   0.02  -0.01    -0.03   0.01   0.02     0.01   0.02  -0.07
    43   7    -0.06   0.02   0.01    -0.07   0.01  -0.01     0.01  -0.03   0.08
    44   6    -0.08   0.01   0.00    -0.03   0.02  -0.01    -0.01  -0.02   0.04
    45   6    -0.09   0.03   0.01    -0.03   0.04  -0.02    -0.01  -0.03   0.08
    46   6    -0.09   0.01   0.00    -0.04   0.03  -0.03    -0.00  -0.03   0.08
    47   6    -0.07   0.02   0.01    -0.03   0.04  -0.01     0.00  -0.02   0.04
    48   6    -0.00  -0.03   0.04    -0.03  -0.01  -0.02     0.01  -0.01   0.02
    49   6    -0.00  -0.03   0.07    -0.05  -0.01  -0.04     0.01  -0.02   0.04
    50   6     0.01  -0.03   0.06    -0.04  -0.02  -0.04     0.02  -0.01   0.04
    51   6     0.00  -0.02   0.04    -0.04  -0.01  -0.02     0.01  -0.01   0.02
    52   6    -0.06   0.03  -0.01    -0.08  -0.01  -0.02     0.03   0.02  -0.06
    53   6    -0.07   0.05  -0.01    -0.08   0.02  -0.00     0.03   0.03  -0.11
    54   6    -0.08   0.03  -0.02    -0.09  -0.00  -0.01     0.03   0.03  -0.10
    55   6    -0.06   0.04  -0.00    -0.07   0.01  -0.01     0.02   0.01  -0.06
    56   6    -0.05  -0.08  -0.03    -0.02  -0.03  -0.02    -0.00  -0.00  -0.00
    57   6     0.03  -0.09  -0.03     0.03  -0.05   0.02    -0.01   0.02  -0.08
    58   6     0.06  -0.05  -0.00     0.05  -0.01   0.00    -0.01  -0.01   0.01
    59   6     0.01   0.02   0.02     0.03   0.04  -0.01    -0.02  -0.03   0.08
    60   6    -0.00  -0.04  -0.00    -0.01   0.02  -0.02    -0.00  -0.04   0.08
    61   6     0.08   0.01   0.00     0.01   0.03   0.01     0.00  -0.02   0.01
    62   6     0.08   0.07   0.01     0.01   0.04   0.04     0.01   0.01  -0.08
    63   6     0.00   0.10   0.03    -0.01   0.05   0.01     0.00  -0.01  -0.00
    64   6     0.01  -0.02  -0.01     0.02  -0.03  -0.01     0.00  -0.01  -0.00
    65   6     0.01  -0.00  -0.07     0.06  -0.00   0.03    -0.01  -0.01  -0.04
    66   6     0.02  -0.00   0.00     0.03   0.03  -0.00    -0.00  -0.02   0.00
    67   6     0.01  -0.01   0.07    -0.02   0.04  -0.03     0.01  -0.02   0.04
    68   6     0.03  -0.02   0.06    -0.02   0.00  -0.04     0.02  -0.01   0.04
    69   6     0.02   0.02   0.01    -0.01   0.03  -0.00     0.02   0.00   0.00
    70   6    -0.01   0.04  -0.05    -0.02   0.03   0.05     0.01   0.01  -0.04
    71   6    -0.02   0.01   0.00    -0.05   0.02   0.02     0.00  -0.00   0.00
    72   6    -0.04  -0.07  -0.03    -0.06  -0.08  -0.03     0.01   0.02   0.01
    73   6     0.04  -0.09  -0.00    -0.01  -0.09  -0.02    -0.01  -0.00   0.10
    74   6     0.08  -0.04   0.01     0.01  -0.05  -0.01    -0.00   0.02  -0.02
    75   6     0.03   0.05   0.00    -0.02   0.01  -0.01     0.01   0.03  -0.10
    76   6    -0.01  -0.00  -0.02     0.00  -0.06  -0.03     0.01   0.04  -0.10
    77   6     0.05   0.03   0.01     0.09  -0.02  -0.01    -0.01   0.01  -0.02
    78   6     0.05   0.07   0.04     0.09   0.04   0.02    -0.02  -0.03   0.09
    79   6    -0.00   0.09   0.03     0.01   0.08   0.03     0.00  -0.02  -0.00
    80   1     0.03  -0.02   0.11     0.08  -0.02  -0.10    -0.03   0.02  -0.05
    81   1     0.05   0.03   0.00     0.00   0.04   0.08     0.02  -0.03   0.11
    82   1     0.02  -0.07  -0.02    -0.00   0.02  -0.02     0.02  -0.01  -0.01
    83   1    -0.01  -0.03   0.19    -0.01   0.02  -0.20     0.03  -0.02  -0.12
    84   1     0.05  -0.01   0.07     0.05   0.04  -0.12    -0.02  -0.03  -0.06
    85   1     0.05  -0.01  -0.08     0.03   0.05   0.19    -0.01  -0.03   0.22
    86   1     0.03  -0.01  -0.00     0.04   0.05  -0.04    -0.01  -0.03  -0.08
    87   1     0.02   0.01  -0.10     0.05  -0.05   0.14     0.01   0.04   0.14
    88   1     0.04   0.01  -0.18     0.06  -0.08   0.13     0.01   0.02  -0.00
    89   1     0.05   0.02   0.11     0.03  -0.08  -0.14    -0.03   0.03  -0.11
    90   1    -0.04   0.03   0.01    -0.05  -0.04   0.00     0.09  -0.00   0.03
    91   1    -0.02   0.03  -0.00    -0.05  -0.10  -0.03     0.10   0.04  -0.10
    92   1    -0.03   0.02  -0.01    -0.02  -0.09  -0.01    -0.06   0.10  -0.09
    93   1    -0.06   0.02  -0.01    -0.01  -0.05  -0.01    -0.07   0.05   0.03
    94   1    -0.07  -0.02   0.00     0.04  -0.02  -0.01    -0.05  -0.01   0.01
    95   1    -0.06  -0.01  -0.09     0.06  -0.03   0.03    -0.08   0.02  -0.02
    96   1    -0.01   0.06  -0.08     0.03  -0.08   0.02    -0.02   0.07  -0.03
    97   1    -0.00   0.05   0.00    -0.01  -0.06  -0.00     0.01   0.05   0.01
    98   1    -0.05  -0.04  -0.01    -0.01   0.05  -0.02     0.10  -0.05  -0.04
    99   1    -0.04  -0.06  -0.02     0.02   0.10   0.08     0.08  -0.09   0.14
   100   1    -0.05  -0.07  -0.03     0.01   0.12   0.10    -0.12  -0.02   0.15
   101   1    -0.06  -0.03   0.01    -0.04   0.08   0.00    -0.11   0.01  -0.05
   102   1    -0.09  -0.15  -0.07    -0.04  -0.08  -0.03     0.01   0.02  -0.03
   103   1     0.05  -0.13  -0.06     0.05  -0.08   0.05    -0.00   0.05  -0.17
   104   1     0.11  -0.05   0.01     0.09  -0.01   0.01    -0.02  -0.01   0.01
   105   1     0.05   0.09   0.04     0.05   0.09  -0.02    -0.03  -0.05   0.11
   106   1    -0.00  -0.12  -0.02    -0.01   0.01  -0.04    -0.01  -0.05   0.11
   107   1     0.13  -0.02  -0.01     0.03   0.02   0.01     0.00  -0.01   0.01
   108   1     0.12   0.09   0.01     0.02   0.04   0.07     0.02   0.04  -0.17
   109   1    -0.00   0.18   0.06    -0.01   0.07   0.03     0.00   0.00  -0.03
   110   1     0.02  -0.03  -0.04     0.04  -0.08  -0.01    -0.01   0.00  -0.01
   111   1     0.00   0.01  -0.14     0.09  -0.01   0.07    -0.03   0.00  -0.09
   112   1     0.03   0.01   0.00     0.05   0.05   0.00    -0.00  -0.02   0.00
   113   1     0.01  -0.01   0.09    -0.05   0.08  -0.04     0.02  -0.03   0.05
   114   1     0.06  -0.04   0.08     0.00  -0.01  -0.07     0.04  -0.02   0.05
   115   1     0.03   0.03  -0.00     0.01   0.04  -0.00     0.02   0.01  -0.00
   116   1    -0.02   0.06  -0.12    -0.01   0.04   0.10    -0.01   0.03  -0.09
   117   1    -0.05   0.03  -0.01    -0.07   0.03   0.04    -0.01   0.01  -0.01
   118   1    -0.08  -0.14  -0.06    -0.09  -0.13  -0.04     0.01   0.02   0.05
   119   1     0.07  -0.14   0.01     0.00  -0.12  -0.02    -0.02  -0.03   0.22
   120   1     0.13  -0.04   0.02     0.05  -0.06  -0.01    -0.01   0.02  -0.01
   121   1     0.08   0.12   0.01     0.01   0.05   0.01     0.01   0.04  -0.15
   122   1    -0.01  -0.06  -0.04    -0.00  -0.14  -0.04     0.02   0.08  -0.14
   123   1     0.09   0.00   0.00     0.14  -0.05  -0.02    -0.02   0.01  -0.01
   124   1     0.08   0.08   0.06     0.14   0.06   0.04    -0.04  -0.07   0.21
   125   1    -0.00   0.15   0.05     0.01   0.16   0.07     0.00  -0.05   0.03
   126  17    -0.01   0.02  -0.00    -0.02   0.02   0.00     0.01  -0.02   0.00
                     46                     47                     48
                      A                      A                      A
 Frequencies --    270.9542               281.3245               294.6598
 Red. masses --      5.3317                 5.1843                 4.8443
 Frc consts  --      0.2306                 0.2417                 0.2478
 IR Inten    --      4.5344                 0.7230                 0.0522
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.08  -0.02  -0.01     0.07  -0.05  -0.00     0.02  -0.01  -0.01
     2   6     0.06  -0.03  -0.00     0.03  -0.06  -0.07     0.01  -0.01   0.03
     3   6     0.02   0.01  -0.00    -0.02  -0.01  -0.03     0.00  -0.00   0.02
     4   6     0.02   0.04   0.00    -0.01  -0.01  -0.02     0.00  -0.00   0.03
     5   6     0.07   0.05  -0.01     0.04   0.00  -0.04     0.01  -0.00   0.03
     6   6     0.10   0.01  -0.01     0.08  -0.03   0.00     0.02  -0.01  -0.02
     7   6    -0.01   0.01  -0.00    -0.02   0.01   0.03     0.00   0.00  -0.03
     8   6    -0.02   0.04  -0.00    -0.01  -0.00   0.02     0.00  -0.00  -0.03
     9   6    -0.01   0.06   0.00    -0.03  -0.01  -0.03    -0.00  -0.00   0.02
    10   6    -0.02   0.06   0.01    -0.03  -0.01   0.02    -0.00  -0.00   0.01
    11   6    -0.02  -0.03  -0.01    -0.00   0.07   0.08     0.01   0.02  -0.05
    12   6    -0.04  -0.04  -0.00     0.04   0.09   0.00     0.02   0.02   0.03
    13   6    -0.07  -0.01  -0.00     0.05   0.07  -0.00     0.03   0.02   0.02
    14   6    -0.06   0.03  -0.01     0.04   0.02   0.04     0.02   0.00  -0.04
    15   7     0.01   0.04   0.00    -0.04  -0.01  -0.07    -0.01   0.00   0.05
    16   6     0.01   0.00  -0.01    -0.04  -0.01  -0.02    -0.01   0.00   0.01
    17   6    -0.01  -0.00  -0.01    -0.03  -0.01   0.02    -0.01   0.00  -0.02
    18   7    -0.03   0.04   0.01    -0.03  -0.01   0.07    -0.00   0.00  -0.02
    19   6     0.04  -0.04  -0.00    -0.05  -0.01   0.04    -0.02   0.01  -0.02
    20   6     0.02  -0.09  -0.00    -0.05   0.00   0.04    -0.02   0.01  -0.02
    21   6    -0.01  -0.10  -0.01    -0.03   0.00  -0.03    -0.02   0.01   0.01
    22   6    -0.03  -0.07  -0.01    -0.03  -0.00  -0.01    -0.01   0.01  -0.02
    23   6     0.04  -0.00  -0.00     0.05  -0.04   0.03     0.01  -0.01  -0.02
    24   6    -0.02  -0.01  -0.00     0.03   0.06  -0.04     0.02   0.01   0.05
    25   6     0.00  -0.04  -0.00    -0.02   0.01  -0.05    -0.01   0.00   0.04
    26   6     0.03   0.02   0.01    -0.07   0.02  -0.04     0.01  -0.01   0.02
    27   6     0.05   0.06  -0.01    -0.09  -0.07   0.02    -0.00  -0.04  -0.03
    28   6     0.03   0.06  -0.04    -0.03  -0.09   0.08    -0.00  -0.03  -0.03
    29   6    -0.01   0.07  -0.00     0.05  -0.11   0.02    -0.00  -0.03  -0.03
    30   6    -0.03   0.03   0.01     0.08  -0.01  -0.04     0.01  -0.01   0.02
    31   6    -0.05  -0.00   0.01    -0.04  -0.05   0.04    -0.00   0.00  -0.01
    32   6    -0.11   0.05  -0.01    -0.10   0.01  -0.02    -0.01   0.02   0.02
    33   6    -0.08   0.05  -0.05    -0.06   0.06  -0.07    -0.01   0.01   0.01
    34   6    -0.04   0.10  -0.00    -0.01   0.11  -0.01    -0.01   0.01   0.01
    35   6     0.02   0.05   0.02     0.05   0.04   0.04     0.00   0.00  -0.01
    36   6    -0.04   0.05   0.02     0.01   0.00  -0.02    -0.03  -0.00   0.02
    37   6    -0.01   0.14  -0.01     0.01   0.00   0.03    -0.03  -0.01  -0.02
    38   6     0.02   0.11  -0.06     0.01   0.00   0.04    -0.01  -0.01  -0.03
    39   6     0.09   0.10  -0.01    -0.02   0.03   0.03     0.00  -0.01  -0.02
    40   6     0.07   0.01   0.02    -0.02   0.02  -0.02    -0.00  -0.01   0.02
    41   7    -0.04  -0.01  -0.08    -0.03   0.02  -0.11    -0.00  -0.00   0.00
    42   7     0.03   0.01  -0.06    -0.02  -0.03   0.13    -0.01   0.00  -0.01
    43   7    -0.01   0.03  -0.10     0.02  -0.02   0.03     0.01   0.01  -0.03
    44   6     0.02  -0.02   0.01     0.01   0.02  -0.02    -0.02  -0.03   0.14
    45   6     0.02  -0.04   0.04     0.01   0.04  -0.09    -0.02  -0.02   0.11
    46   6     0.03  -0.03   0.05    -0.00   0.04  -0.09    -0.00   0.03  -0.09
    47   6     0.03  -0.03   0.02    -0.01   0.03  -0.02    -0.00   0.05  -0.13
    48   6    -0.01  -0.06   0.02     0.00  -0.03   0.02     0.00  -0.01   0.02
    49   6    -0.02  -0.06   0.07     0.02  -0.03   0.08     0.00  -0.01   0.01
    50   6    -0.00  -0.07   0.06     0.03  -0.03   0.08    -0.00  -0.00  -0.02
    51   6    -0.01  -0.04   0.02     0.01  -0.01   0.02    -0.00  -0.00  -0.02
    52   6    -0.04  -0.02   0.03     0.03  -0.00  -0.02     0.02   0.03  -0.14
    53   6    -0.04  -0.03   0.08     0.03  -0.01  -0.03     0.02   0.02  -0.09
    54   6    -0.03  -0.04   0.08     0.04  -0.00  -0.02     0.00  -0.03   0.13
    55   6    -0.02  -0.02   0.02     0.03  -0.01  -0.01    -0.00  -0.04   0.15
    56   6     0.02   0.02   0.01    -0.00   0.00  -0.01     0.01   0.03  -0.13
    57   6    -0.02   0.04  -0.04     0.02  -0.03   0.09     0.00  -0.02   0.05
    58   6    -0.03   0.01   0.00     0.03   0.01  -0.01     0.00  -0.03   0.11
    59   6    -0.01  -0.04   0.04     0.02   0.05  -0.08     0.01   0.03  -0.08
    60   6     0.01  -0.02   0.04    -0.00   0.05  -0.08    -0.02  -0.01   0.10
    61   6    -0.00  -0.03   0.00    -0.01   0.03  -0.01     0.00   0.05  -0.10
    62   6     0.00  -0.03  -0.05    -0.02  -0.00   0.09    -0.00   0.04  -0.06
    63   6     0.01  -0.04  -0.01    -0.00   0.02  -0.00    -0.02  -0.02   0.13
    64   6     0.02  -0.06  -0.02     0.01  -0.02   0.00    -0.00  -0.00  -0.02
    65   6     0.02  -0.04  -0.08    -0.02  -0.01  -0.08     0.00  -0.01   0.01
    66   6     0.03  -0.03   0.00     0.00  -0.03   0.01     0.00  -0.01   0.01
    67   6     0.00  -0.04   0.06     0.02  -0.04   0.07    -0.00  -0.00  -0.02
    68   6     0.05  -0.04   0.05     0.04  -0.03   0.07     0.01  -0.01   0.01
    69   6     0.04   0.03   0.00     0.03   0.01   0.01     0.00   0.01  -0.02
    70   6    -0.01   0.06  -0.06     0.00   0.03  -0.08     0.00   0.01  -0.01
    71   6    -0.04   0.02   0.02    -0.00  -0.00   0.01     0.00  -0.00   0.02
    72   6    -0.03  -0.03  -0.00     0.02   0.02   0.01     0.00  -0.02   0.14
    73   6    -0.03  -0.01  -0.08    -0.01   0.02   0.03     0.02   0.03  -0.07
    74   6    -0.03  -0.03   0.00    -0.02   0.02  -0.01     0.02   0.04  -0.11
    75   6    -0.04  -0.04   0.07     0.00  -0.01  -0.03     0.00  -0.03   0.11
    76   6    -0.01  -0.06   0.07     0.02   0.01  -0.03     0.01   0.02  -0.07
    77   6     0.04  -0.03   0.00    -0.01  -0.01  -0.01    -0.02  -0.03   0.12
    78   6     0.04   0.01  -0.07    -0.01  -0.04   0.02    -0.01  -0.02   0.04
    79   6     0.00   0.01   0.01     0.01  -0.04  -0.01     0.01   0.02  -0.13
    80   1     0.03   0.06   0.00    -0.03  -0.02  -0.08    -0.01   0.00   0.05
    81   1     0.05  -0.06   0.00     0.02  -0.08  -0.11     0.01  -0.01   0.06
    82   1     0.07   0.10  -0.00     0.05   0.05  -0.05     0.01   0.01   0.04
    83   1     0.14   0.02  -0.01     0.10  -0.03   0.04     0.02  -0.01  -0.06
    84   1    -0.00  -0.05  -0.00    -0.02   0.09   0.12    -0.00   0.03  -0.09
    85   1    -0.10  -0.02   0.01     0.08   0.08  -0.04     0.04   0.02   0.05
    86   1    -0.07   0.04  -0.01     0.07  -0.01   0.07     0.03  -0.01  -0.08
    87   1     0.10  -0.03   0.01    -0.06  -0.01   0.07    -0.02   0.01  -0.04
    88   1     0.04  -0.12   0.02    -0.05   0.00   0.08    -0.02   0.01  -0.04
    89   1    -0.08  -0.08  -0.01    -0.03  -0.00  -0.02    -0.01   0.01  -0.02
    90   1     0.06  -0.01   0.02    -0.13   0.07  -0.07     0.01  -0.01   0.02
    91   1     0.08   0.08  -0.00    -0.17  -0.09   0.04     0.00  -0.05  -0.04
    92   1    -0.04   0.11  -0.01     0.11  -0.18   0.03    -0.01  -0.05  -0.05
    93   1    -0.05   0.02   0.02     0.15  -0.00  -0.07     0.01  -0.00   0.02
    94   1    -0.07  -0.06   0.03    -0.07  -0.11   0.06     0.00   0.00  -0.01
    95   1    -0.16   0.04  -0.00    -0.18  -0.00  -0.03    -0.02   0.02   0.03
    96   1    -0.02   0.18  -0.01     0.00   0.19  -0.02    -0.02   0.02   0.02
    97   1     0.05   0.07   0.04     0.11   0.07   0.06     0.00   0.00  -0.01
    98   1    -0.10   0.05   0.04     0.03   0.00  -0.03    -0.04  -0.00   0.03
    99   1    -0.05   0.19  -0.01     0.02   0.00   0.05    -0.04   0.00  -0.03
   100   1     0.16   0.13  -0.01    -0.05   0.03   0.05     0.01  -0.02  -0.04
   101   1     0.11  -0.02   0.04    -0.03   0.02  -0.04     0.01  -0.01   0.03
   102   1     0.04   0.06   0.01    -0.02  -0.03   0.01     0.00   0.03  -0.18
   103   1    -0.02   0.08  -0.09     0.01  -0.07   0.19     0.00  -0.06   0.14
   104   1    -0.06   0.01  -0.00     0.04   0.01  -0.02    -0.00  -0.08   0.27
   105   1    -0.04  -0.08   0.05     0.04   0.08  -0.11     0.02   0.04  -0.07
   106   1     0.01  -0.02   0.06     0.00   0.07  -0.12    -0.02  -0.01   0.09
   107   1    -0.02  -0.02   0.01    -0.01   0.03  -0.02     0.02   0.09  -0.25
   108   1    -0.00  -0.02  -0.11    -0.03  -0.03   0.20     0.01   0.07  -0.17
   109   1     0.01  -0.05  -0.03    -0.00   0.01   0.02    -0.02  -0.03   0.16
   110   1     0.03  -0.08  -0.04    -0.00  -0.01  -0.02    -0.00  -0.00  -0.02
   111   1     0.02  -0.02  -0.15    -0.04   0.01  -0.17     0.00  -0.01   0.02
   112   1     0.04  -0.01   0.01     0.01  -0.03   0.02     0.01  -0.01   0.03
   113   1     0.00  -0.03   0.09     0.03  -0.05   0.10    -0.00  -0.01  -0.01
   114   1     0.11  -0.07   0.07     0.07  -0.04   0.10     0.01  -0.01   0.01
   115   1     0.07   0.05  -0.01     0.04   0.01   0.01     0.00   0.01  -0.04
   116   1    -0.02   0.12  -0.13    -0.02   0.06  -0.17     0.00   0.01  -0.01
   117   1    -0.09   0.05   0.02    -0.02   0.01  -0.01    -0.00   0.00   0.03
   118   1    -0.02  -0.02  -0.03     0.04   0.05   0.03     0.00  -0.03   0.17
   119   1    -0.02   0.02  -0.18    -0.02   0.03   0.06     0.03   0.07  -0.20
   120   1    -0.03  -0.03   0.01    -0.04   0.02  -0.02     0.03   0.08  -0.27
   121   1    -0.04  -0.06   0.11    -0.01  -0.03  -0.04    -0.00  -0.03   0.11
   122   1    -0.01  -0.11   0.09     0.02   0.03  -0.03     0.01   0.03  -0.06
   123   1     0.06  -0.04   0.00    -0.03  -0.00  -0.00    -0.04  -0.08   0.28
   124   1     0.07   0.05  -0.16    -0.03  -0.05   0.05    -0.02  -0.04   0.12
   125   1     0.00   0.06   0.00     0.01  -0.06  -0.01     0.02   0.02  -0.19
   126  17    -0.00  -0.02   0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
                     49                     50                     51
                      A                      A                      A
 Frequencies --    294.8634               294.9160               296.1297
 Red. masses --      4.7384                 4.7382                 5.4263
 Frc consts  --      0.2427                 0.2428                 0.2804
 IR Inten    --      5.5697                 4.4734                 0.2863
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.04   0.03   0.04
     2   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.02   0.03  -0.09
     3   6     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.01  -0.05
     4   6     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.01  -0.08
     5   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.03   0.00  -0.08
     6   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.05   0.02   0.07
     7   6     0.00   0.00  -0.00     0.00   0.00   0.00     0.00  -0.00   0.08
     8   6     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.01   0.08
     9   6     0.00  -0.00   0.00     0.00   0.00   0.00     0.01   0.02  -0.04
    10   6     0.00  -0.00  -0.00     0.00   0.00   0.00     0.01   0.01  -0.02
    11   6     0.00   0.00  -0.01     0.00  -0.00   0.00    -0.01  -0.05   0.13
    12   6    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.05  -0.07  -0.07
    13   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.07  -0.06  -0.07
    14   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.05  -0.00   0.12
    15   7     0.00  -0.00   0.00     0.00   0.00  -0.00     0.03   0.00  -0.12
    16   6     0.00  -0.00   0.00     0.00   0.00  -0.00     0.03  -0.01  -0.03
    17   6     0.00  -0.00  -0.00     0.00   0.00   0.00     0.02  -0.01   0.06
    18   7     0.00  -0.00  -0.00     0.00   0.00   0.01     0.01   0.00   0.07
    19   6    -0.00  -0.00  -0.00     0.01   0.00  -0.00     0.05  -0.02   0.06
    20   6    -0.00   0.00  -0.00     0.01  -0.00   0.00     0.04  -0.03   0.06
    21   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.03  -0.03  -0.04
    22   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.02  -0.02   0.04
    23   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.03   0.03   0.06
    24   6    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.04  -0.05  -0.13
    25   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.03  -0.01  -0.10
    26   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.01  -0.05
    27   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.02   0.12   0.08
    28   6    -0.01  -0.00  -0.00    -0.00   0.00   0.00     0.03   0.09   0.07
    29   6    -0.00  -0.00  -0.00    -0.00   0.00   0.00     0.02   0.10   0.08
    30   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.02   0.01  -0.04
    31   6     0.00   0.00  -0.00    -0.00  -0.01  -0.00     0.00   0.00   0.02
    32   6     0.00   0.00   0.00    -0.01  -0.01  -0.00     0.05  -0.05  -0.05
    33   6     0.00   0.00   0.00    -0.01  -0.01  -0.00     0.04  -0.04  -0.04
    34   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.04  -0.05  -0.04
    35   6     0.00   0.00  -0.00    -0.00  -0.00   0.01    -0.01  -0.01   0.02
    36   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.05   0.01  -0.05
    37   6    -0.00  -0.00  -0.00    -0.00   0.00   0.00     0.05   0.04   0.05
    38   6    -0.01  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.04   0.07
    39   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.01   0.05   0.06
    40   6    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.02  -0.05
    41   7     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    42   7    -0.00   0.00  -0.00     0.00   0.00  -0.00     0.01  -0.00   0.01
    43   7    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.02  -0.01   0.06
    44   6     0.01   0.04  -0.15     0.00   0.01  -0.03     0.00  -0.03   0.04
    45   6     0.01   0.03  -0.11     0.00   0.01  -0.03     0.01  -0.04   0.02
    46   6    -0.01  -0.03   0.11    -0.00  -0.01   0.03     0.03  -0.01  -0.06
    47   6    -0.01  -0.04   0.15    -0.00  -0.01   0.03     0.03  -0.02  -0.07
    48   6     0.01  -0.01   0.07    -0.04   0.03  -0.19     0.00   0.02   0.02
    49   6     0.01  -0.01   0.05    -0.03   0.03  -0.14     0.00   0.01   0.02
    50   6    -0.01   0.01  -0.05     0.03  -0.03   0.15    -0.01   0.02  -0.01
    51   6    -0.01   0.01  -0.07     0.04  -0.03   0.20    -0.01   0.01  -0.01
    52   6     0.01   0.03  -0.13     0.00   0.01  -0.06    -0.03   0.01  -0.08
    53   6     0.01   0.02  -0.10     0.00   0.01  -0.04    -0.03   0.03  -0.09
    54   6    -0.01  -0.02   0.10    -0.01  -0.01   0.05    -0.03  -0.01  -0.00
    55   6    -0.01  -0.03   0.13    -0.01  -0.01   0.06    -0.03  -0.01   0.05
    56   6    -0.01  -0.04   0.14    -0.00  -0.01   0.03     0.01   0.02  -0.04
    57   6     0.01   0.02  -0.06     0.00   0.00  -0.01    -0.04   0.01   0.03
    58   6     0.02   0.04  -0.12     0.00   0.01  -0.03    -0.05  -0.01   0.03
    59   6    -0.01  -0.02   0.10    -0.00  -0.01   0.02    -0.02  -0.02  -0.06
    60   6     0.01   0.02  -0.10     0.00   0.00  -0.02     0.02  -0.04   0.01
    61   6    -0.01  -0.04   0.12    -0.00  -0.01   0.03     0.02  -0.02  -0.06
    62   6    -0.00  -0.02   0.06    -0.00  -0.01   0.01     0.02  -0.04  -0.02
    63   6     0.01   0.04  -0.14     0.00   0.01  -0.03     0.01  -0.05   0.05
    64   6    -0.01   0.01  -0.06     0.04  -0.03   0.18    -0.01   0.02  -0.02
    65   6     0.01  -0.01   0.03    -0.02   0.02  -0.08     0.00   0.02   0.01
    66   6     0.01  -0.01   0.05    -0.03   0.04  -0.16     0.01   0.02   0.02
    67   6    -0.01   0.01  -0.04     0.03  -0.02   0.13    -0.00   0.02  -0.00
    68   6     0.01  -0.01   0.04    -0.02   0.02  -0.13    -0.02   0.01   0.02
    69   6    -0.01   0.01  -0.05     0.04  -0.03   0.16    -0.03  -0.01  -0.01
    70   6    -0.01   0.01  -0.03     0.02  -0.01   0.08    -0.02  -0.01  -0.01
    71   6     0.01  -0.01   0.06    -0.04   0.03  -0.18     0.00  -0.00   0.01
    72   6    -0.01  -0.03   0.12    -0.01  -0.02   0.06    -0.03  -0.04   0.05
    73   6     0.01   0.01  -0.05     0.00   0.00  -0.03    -0.02  -0.03   0.00
    74   6     0.01   0.03  -0.10     0.01   0.01  -0.05    -0.01   0.00  -0.07
    75   6    -0.00  -0.02   0.09    -0.00  -0.01   0.04    -0.02  -0.00   0.00
    76   6     0.01   0.02  -0.08     0.00   0.01  -0.04    -0.00  -0.00  -0.08
    77   6    -0.01  -0.03   0.10    -0.00  -0.01   0.05     0.02  -0.02   0.03
    78   6    -0.00  -0.01   0.05     0.00  -0.01   0.02     0.02  -0.00   0.07
    79   6     0.01   0.03  -0.12     0.00   0.02  -0.06     0.00   0.04  -0.05
    80   1     0.00  -0.00   0.01     0.00   0.00  -0.00     0.03   0.01  -0.13
    81   1     0.00   0.00   0.01     0.00   0.00  -0.01    -0.02   0.05  -0.17
    82   1     0.00  -0.00   0.00    -0.00  -0.00  -0.01    -0.03  -0.02  -0.11
    83   1    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.06   0.02   0.15
    84   1     0.00   0.00  -0.01     0.00  -0.00   0.01     0.02  -0.08   0.24
    85   1     0.00   0.00   0.01    -0.00  -0.00  -0.00    -0.10  -0.06  -0.15
    86   1     0.00  -0.00  -0.01    -0.00   0.00   0.00    -0.08   0.02   0.20
    87   1    -0.00  -0.00  -0.00     0.01   0.00   0.00     0.06  -0.01   0.10
    88   1    -0.00   0.00  -0.01     0.01  -0.00   0.01     0.05  -0.04   0.12
    89   1     0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.01  -0.02   0.05
    90   1    -0.00   0.00   0.01    -0.00  -0.00  -0.00    -0.00  -0.00  -0.06
    91   1    -0.00  -0.01  -0.01     0.00   0.00   0.00     0.03   0.16   0.14
    92   1    -0.00   0.00   0.00    -0.00   0.01   0.00     0.01   0.14   0.11
    93   1    -0.01  -0.00  -0.00    -0.00  -0.00  -0.00    -0.01   0.00  -0.05
    94   1     0.00   0.01  -0.00    -0.01  -0.01   0.00    -0.00   0.01   0.03
    95   1     0.01   0.00  -0.00    -0.01  -0.00   0.00     0.07  -0.06  -0.07
    96   1    -0.00  -0.00   0.00     0.00  -0.00  -0.01     0.04  -0.07  -0.06
    97   1    -0.00   0.00  -0.00    -0.00  -0.00   0.01    -0.01  -0.01   0.02
    98   1    -0.01  -0.00  -0.00    -0.00  -0.00  -0.00     0.06   0.01  -0.07
    99   1    -0.00   0.00   0.00     0.00   0.01   0.01     0.09   0.03   0.09
   100   1    -0.00  -0.01  -0.01     0.00   0.00   0.00    -0.02   0.06   0.09
   101   1    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.04   0.04  -0.07
   102   1    -0.02  -0.05   0.18    -0.00  -0.01   0.04     0.03   0.06  -0.03
   103   1     0.02   0.05  -0.17     0.00   0.01  -0.04    -0.05   0.01   0.09
   104   1     0.03   0.08  -0.29     0.01   0.02  -0.07    -0.08  -0.03   0.08
   105   1    -0.00  -0.02   0.09    -0.00  -0.01   0.02    -0.04  -0.06  -0.06
   106   1     0.01   0.02  -0.09     0.00   0.00  -0.02     0.02  -0.04   0.02
   107   1    -0.02  -0.09   0.29    -0.00  -0.02   0.07     0.03  -0.00  -0.12
   108   1    -0.01  -0.05   0.17    -0.00  -0.01   0.04     0.03  -0.03  -0.04
   109   1     0.02   0.05  -0.18     0.00   0.01  -0.04     0.01  -0.05   0.08
   110   1    -0.02   0.01  -0.08     0.05  -0.04   0.24    -0.01   0.01  -0.03
   111   1     0.02  -0.02   0.08    -0.05   0.05  -0.23     0.01   0.02   0.02
   112   1     0.03  -0.03   0.13    -0.08   0.08  -0.38     0.01   0.02   0.04
   113   1    -0.01   0.01  -0.04     0.02  -0.01   0.13    -0.01   0.03  -0.01
   114   1     0.01  -0.01   0.04    -0.02   0.02  -0.12    -0.04   0.02   0.02
   115   1    -0.03   0.03  -0.13     0.09  -0.07   0.38    -0.04  -0.01  -0.02
   116   1    -0.02   0.01  -0.07     0.05  -0.04   0.22    -0.02  -0.02  -0.03
   117   1     0.01  -0.01   0.08    -0.05   0.04  -0.24     0.02  -0.01   0.01
   118   1    -0.01  -0.04   0.16    -0.01  -0.02   0.07    -0.04  -0.06   0.08
   119   1     0.02   0.04  -0.15     0.01   0.02  -0.07    -0.02  -0.04   0.00
   120   1     0.03   0.07  -0.25     0.01   0.03  -0.12     0.01   0.02  -0.14
   121   1    -0.00  -0.01   0.08    -0.00  -0.01   0.04    -0.01   0.01  -0.01
   122   1     0.01   0.02  -0.08     0.00   0.00  -0.04     0.00  -0.03  -0.10
   123   1    -0.02  -0.07   0.25    -0.01  -0.04   0.12     0.04  -0.05   0.10
   124   1    -0.01  -0.04   0.15    -0.00  -0.02   0.07     0.03  -0.02   0.17
   125   1     0.01   0.04  -0.16     0.01   0.03  -0.07     0.00   0.07  -0.04
   126  17    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.01   0.00
                     52                     53                     54
                      A                      A                      A
 Frequencies --    305.6853               326.5533               332.9098
 Red. masses --      5.9318                 6.2938                 6.5091
 Frc consts  --      0.3266                 0.3954                 0.4250
 IR Inten    --      0.9133                 1.4913                 0.3737
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.05  -0.02  -0.04     0.03  -0.01  -0.03    -0.08  -0.11  -0.01
     2   6     0.03  -0.02   0.16    -0.02  -0.01   0.01    -0.07  -0.10   0.01
     3   6     0.01  -0.01   0.09    -0.06   0.03   0.01    -0.07  -0.07   0.01
     4   6     0.01   0.00  -0.03    -0.04   0.04   0.02    -0.04  -0.03   0.02
     5   6     0.04   0.01   0.11    -0.01   0.05   0.02    -0.08  -0.04   0.02
     6   6     0.06  -0.01   0.05     0.03   0.02  -0.02    -0.07  -0.07  -0.02
     7   6    -0.00  -0.01   0.04    -0.08   0.04  -0.01    -0.05  -0.05  -0.01
     8   6    -0.01  -0.00  -0.06    -0.05   0.02   0.01    -0.02  -0.04  -0.05
     9   6    -0.01   0.00  -0.12    -0.01  -0.02   0.02     0.01   0.03  -0.03
    10   6    -0.01   0.00  -0.17     0.01  -0.02   0.00    -0.00   0.03  -0.00
    11   6    -0.01  -0.01   0.04    -0.09   0.05  -0.03    -0.04   0.00   0.02
    12   6    -0.00  -0.00  -0.01    -0.11   0.05   0.01    -0.02   0.03   0.03
    13   6    -0.01  -0.00   0.07    -0.09   0.03  -0.00    -0.00  -0.00   0.05
    14   6    -0.01  -0.00   0.02    -0.08   0.03  -0.02    -0.02  -0.05  -0.02
    15   7    -0.01   0.00  -0.01     0.05  -0.08   0.02     0.02   0.07   0.02
    16   6    -0.01  -0.00   0.11     0.05  -0.13  -0.00     0.06   0.13   0.02
    17   6    -0.01  -0.00   0.08     0.08  -0.13  -0.01     0.02   0.13  -0.01
    18   7    -0.01  -0.00  -0.15     0.01  -0.08  -0.04     0.02   0.11   0.00
    19   6    -0.00  -0.01   0.10     0.00  -0.09  -0.02     0.15   0.08   0.01
    20   6    -0.01  -0.03  -0.10     0.03   0.01   0.02     0.14   0.00  -0.04
    21   6    -0.01  -0.03  -0.02     0.09   0.04   0.05     0.08  -0.02  -0.03
    22   6    -0.02  -0.02   0.19     0.13  -0.04   0.03     0.01   0.06  -0.03
    23   6     0.03  -0.00  -0.18     0.06  -0.04  -0.03    -0.07  -0.14  -0.02
    24   6     0.00   0.01  -0.07    -0.11   0.06   0.03    -0.01   0.07  -0.00
    25   6    -0.01  -0.01  -0.08     0.12   0.10   0.05     0.07  -0.08   0.00
    26   6    -0.02   0.02  -0.04    -0.09   0.05   0.01    -0.03   0.05  -0.02
    27   6    -0.02   0.03   0.03    -0.09   0.01  -0.03    -0.05  -0.00  -0.03
    28   6     0.00   0.02   0.05    -0.03  -0.02  -0.02    -0.01  -0.02   0.00
    29   6     0.03   0.02   0.03    -0.08  -0.02  -0.01     0.01  -0.03  -0.02
    30   6     0.02   0.01  -0.04    -0.08   0.02   0.02     0.01   0.03  -0.02
    31   6     0.01   0.05  -0.10     0.01  -0.03  -0.00    -0.07  -0.12   0.01
    32   6    -0.04   0.11   0.08    -0.04   0.02   0.03    -0.09  -0.08   0.04
    33   6    -0.06   0.06   0.11    -0.03   0.04   0.02    -0.05   0.00   0.02
    34   6    -0.08   0.05   0.08    -0.01   0.05   0.03    -0.09  -0.03   0.01
    35   6    -0.03   0.01  -0.09     0.05   0.00  -0.00    -0.07  -0.08  -0.01
    36   6     0.01   0.01  -0.04     0.13   0.04  -0.01     0.04  -0.04   0.01
    37   6     0.03   0.05   0.05     0.08  -0.10  -0.07     0.04   0.03   0.02
    38   6     0.01   0.04   0.05    -0.01  -0.10  -0.03     0.03   0.03   0.00
    39   6    -0.00   0.05   0.03    -0.03  -0.09  -0.06     0.09  -0.01   0.03
    40   6    -0.01   0.02  -0.04     0.03   0.05   0.00     0.08  -0.07   0.03
    41   7     0.01  -0.02   0.10    -0.01   0.01  -0.04     0.01   0.03  -0.02
    42   7    -0.00  -0.02   0.06     0.03  -0.01  -0.00    -0.00  -0.02   0.07
    43   7    -0.00  -0.01   0.04    -0.03  -0.03   0.09    -0.01   0.03  -0.07
    44   6    -0.00  -0.00  -0.01     0.07  -0.01   0.01     0.02  -0.00   0.01
    45   6     0.00   0.00  -0.04     0.09  -0.03   0.01     0.02   0.00  -0.03
    46   6     0.00   0.00  -0.04     0.09  -0.00   0.00     0.02   0.01  -0.03
    47   6     0.00  -0.01  -0.01     0.06  -0.02  -0.00     0.01  -0.00   0.01
    48   6    -0.01  -0.03  -0.02    -0.01  -0.02  -0.01     0.05   0.06   0.00
    49   6    -0.02  -0.02  -0.07    -0.00  -0.02   0.01     0.09   0.06   0.01
    50   6    -0.01  -0.02  -0.07     0.01  -0.01   0.01     0.07   0.08   0.00
    51   6     0.01  -0.02  -0.01     0.00  -0.00  -0.01     0.07   0.05  -0.01
    52   6    -0.01  -0.01  -0.01    -0.03   0.01   0.01    -0.05   0.01  -0.01
    53   6    -0.00  -0.00  -0.03    -0.04   0.05  -0.03    -0.06   0.02   0.03
    54   6     0.00  -0.00  -0.03    -0.06   0.04  -0.03    -0.06  -0.00   0.03
    55   6     0.00  -0.01  -0.01    -0.06   0.03   0.02    -0.04   0.02  -0.00
    56   6    -0.00   0.00  -0.00     0.07   0.07   0.01     0.02   0.02  -0.00
    57   6    -0.01  -0.01   0.03     0.03   0.08   0.03     0.01   0.01   0.03
    58   6    -0.01   0.00  -0.01     0.01   0.03   0.02     0.01   0.01  -0.00
    59   6    -0.00   0.00  -0.03     0.04  -0.02  -0.01     0.01   0.01  -0.02
    60   6     0.01  -0.00  -0.03     0.04   0.01   0.02     0.01   0.01  -0.02
    61   6     0.01  -0.01  -0.01    -0.03  -0.02  -0.01    -0.01   0.00  -0.01
    62   6     0.01  -0.02   0.03    -0.03  -0.07  -0.03    -0.01  -0.02   0.02
    63   6     0.00  -0.00  -0.00     0.02  -0.09  -0.02     0.01  -0.02  -0.01
    64   6     0.01  -0.03  -0.00     0.01  -0.02   0.00    -0.03   0.11   0.02
    65   6     0.01  -0.05   0.05    -0.00  -0.02  -0.02    -0.07   0.06   0.02
    66   6    -0.01  -0.04  -0.03     0.00  -0.02  -0.00    -0.03   0.01   0.02
    67   6    -0.01  -0.03  -0.06     0.00  -0.02   0.01     0.05   0.01  -0.01
    68   6     0.02  -0.01  -0.07     0.01  -0.01   0.01     0.03   0.04   0.02
    69   6     0.03   0.02  -0.02     0.01   0.01   0.00     0.03  -0.03  -0.02
    70   6     0.03   0.02   0.06     0.00   0.01  -0.01     0.07  -0.06  -0.04
    71   6    -0.01   0.01  -0.00    -0.01   0.00   0.01     0.11  -0.03  -0.02
    72   6    -0.01  -0.00   0.00    -0.04  -0.04  -0.02    -0.05  -0.05  -0.00
    73   6    -0.02  -0.01   0.02     0.01  -0.06   0.02    -0.02  -0.05  -0.05
    74   6    -0.02  -0.00  -0.01     0.03  -0.01  -0.01    -0.01  -0.03  -0.00
    75   6    -0.01  -0.01  -0.03    -0.00   0.05  -0.01    -0.03   0.01   0.03
    76   6     0.01  -0.01  -0.03    -0.03   0.03  -0.03    -0.03  -0.02   0.01
    77   6     0.02  -0.01  -0.01    -0.01   0.04   0.01     0.02   0.01   0.02
    78   6     0.01  -0.02   0.02    -0.01   0.06   0.06     0.02   0.06  -0.01
    79   6     0.00  -0.00  -0.00    -0.02   0.08  -0.00    -0.02   0.06   0.02
    80   1    -0.00   0.01  -0.01     0.07  -0.11   0.02    -0.01   0.09   0.02
    81   1     0.03  -0.05   0.26    -0.03  -0.05   0.02    -0.07  -0.08   0.02
    82   1     0.05   0.04   0.18    -0.00   0.10   0.04    -0.08  -0.07   0.03
    83   1     0.08  -0.00   0.06     0.06   0.03  -0.03    -0.04  -0.06  -0.03
    84   1    -0.00  -0.01   0.04    -0.09   0.04  -0.06    -0.06   0.02   0.03
    85   1    -0.01  -0.00   0.11    -0.08   0.04  -0.00     0.03   0.00   0.09
    86   1    -0.00  -0.01   0.03    -0.08   0.03  -0.04    -0.00  -0.06  -0.04
    87   1     0.01  -0.01   0.10    -0.07  -0.10  -0.05     0.24   0.10   0.02
    88   1    -0.00  -0.04  -0.26    -0.01   0.06   0.00     0.17  -0.03  -0.06
    89   1    -0.04  -0.02   0.27     0.22  -0.02   0.02    -0.06   0.05  -0.02
    90   1    -0.04   0.04  -0.06    -0.07   0.04   0.02    -0.05   0.07  -0.02
    91   1    -0.04   0.04   0.05    -0.13  -0.01  -0.04    -0.09  -0.02  -0.02
    92   1     0.05   0.01   0.05    -0.11  -0.01  -0.03     0.02  -0.05  -0.02
    93   1     0.05   0.01  -0.06    -0.05   0.03   0.02     0.05   0.04  -0.03
    94   1     0.03   0.07  -0.13     0.01  -0.06  -0.00    -0.06  -0.12  -0.00
    95   1    -0.02   0.16   0.15    -0.08   0.02   0.04    -0.16  -0.09   0.04
    96   1    -0.12   0.04   0.14    -0.00   0.09   0.04    -0.11  -0.05   0.03
    97   1    -0.06  -0.02  -0.12     0.07   0.00  -0.00    -0.02  -0.07  -0.00
    98   1     0.03  -0.00  -0.06     0.18   0.06  -0.00    -0.01  -0.05   0.02
    99   1     0.05   0.06   0.09     0.14  -0.19  -0.08     0.04   0.04   0.02
   100   1    -0.01   0.06   0.06    -0.07  -0.12  -0.08     0.16   0.01   0.03
   101   1    -0.01   0.02  -0.05    -0.02   0.12   0.00     0.09  -0.09   0.02
   102   1     0.00   0.00   0.01     0.10   0.11   0.02     0.02   0.02  -0.00
   103   1    -0.02  -0.02   0.07     0.02   0.10   0.03     0.00   0.00   0.07
   104   1    -0.01   0.00  -0.02    -0.04   0.03   0.03    -0.00   0.01  -0.01
   105   1    -0.01  -0.00  -0.04     0.02  -0.05  -0.02     0.01   0.01  -0.04
   106   1     0.01  -0.00  -0.04     0.04   0.07   0.03     0.01   0.03  -0.03
   107   1     0.01  -0.00  -0.02    -0.07   0.01  -0.02    -0.02   0.01  -0.02
   108   1     0.00  -0.03   0.07    -0.06  -0.08  -0.05    -0.02  -0.03   0.05
   109   1     0.00  -0.00   0.01     0.03  -0.15  -0.03     0.01  -0.03  -0.01
   110   1     0.01  -0.03   0.02     0.00  -0.01   0.01    -0.06   0.17   0.04
   111   1     0.02  -0.07   0.11    -0.01  -0.01  -0.04    -0.11   0.06   0.03
   112   1    -0.01  -0.03  -0.05     0.00  -0.02   0.00    -0.07  -0.05   0.03
   113   1    -0.01  -0.03  -0.07     0.01  -0.02   0.02     0.08  -0.04  -0.02
   114   1     0.05  -0.02  -0.09     0.03  -0.02   0.02    -0.01   0.06   0.04
   115   1     0.05   0.03  -0.03     0.02   0.01   0.01    -0.02  -0.06  -0.02
   116   1     0.05   0.02   0.14    -0.00   0.03  -0.03     0.07  -0.09  -0.06
   117   1    -0.03   0.02   0.03    -0.02   0.01   0.01     0.17  -0.06  -0.02
   118   1    -0.00   0.00   0.02    -0.08  -0.09  -0.03    -0.07  -0.08  -0.01
   119   1    -0.03  -0.01   0.05     0.02  -0.10   0.05    -0.01  -0.05  -0.08
   120   1    -0.02  -0.00  -0.02     0.07  -0.01  -0.03     0.02  -0.03   0.00
   121   1    -0.02  -0.01  -0.03     0.03   0.10  -0.03    -0.02   0.02   0.05
   122   1     0.01  -0.02  -0.04    -0.03   0.03  -0.07    -0.03  -0.06   0.02
   123   1     0.02  -0.02  -0.02     0.02   0.03   0.00     0.05  -0.01   0.03
   124   1     0.02  -0.02   0.05    -0.00   0.05   0.11     0.05   0.08  -0.03
   125   1     0.00   0.01   0.01    -0.02   0.10  -0.00    -0.02   0.11   0.03
   126  17    -0.00   0.00   0.00    -0.00   0.04  -0.00    -0.00  -0.02   0.00
                     55                     56                     57
                      A                      A                      A
 Frequencies --    345.7788               366.0680               369.6946
 Red. masses --      6.2051                 6.2595                 5.9167
 Frc consts  --      0.4371                 0.4942                 0.4764
 IR Inten    --      0.1260                 1.6969                 0.6299
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.03  -0.01     0.05   0.02   0.07    -0.01  -0.02   0.13
     2   6    -0.03  -0.02   0.00     0.08   0.01   0.03    -0.03  -0.01   0.08
     3   6    -0.03  -0.01   0.00     0.07  -0.03  -0.03    -0.03   0.00  -0.05
     4   6    -0.03   0.01  -0.01     0.08  -0.06  -0.08    -0.03   0.02  -0.19
     5   6    -0.02   0.01   0.01     0.07  -0.07  -0.06    -0.02   0.03  -0.15
     6   6    -0.01  -0.00   0.01     0.04  -0.05   0.09     0.00   0.02   0.19
     7   6     0.00   0.00   0.02    -0.06  -0.05  -0.00     0.01   0.01  -0.00
     8   6     0.01   0.01   0.19    -0.04  -0.09   0.05     0.01   0.02   0.03
     9   6     0.00   0.02   0.10    -0.01  -0.06   0.02     0.00   0.02   0.01
    10   6    -0.02   0.02  -0.02     0.05  -0.04   0.01    -0.02   0.02  -0.00
    11   6     0.01   0.02  -0.14    -0.08  -0.02  -0.01     0.02   0.01   0.01
    12   6     0.03   0.02  -0.08    -0.07   0.01  -0.00     0.02  -0.00  -0.02
    13   6     0.03   0.02  -0.19    -0.01  -0.06  -0.04     0.01   0.02  -0.04
    14   6     0.03   0.01   0.06    -0.02  -0.10   0.02     0.01   0.02   0.03
    15   7     0.00   0.02  -0.08    -0.05  -0.01  -0.00     0.02   0.00   0.04
    16   6     0.01   0.02  -0.09    -0.02   0.06  -0.04     0.01  -0.02  -0.06
    17   6    -0.01   0.02   0.01     0.01   0.07   0.01    -0.00  -0.02   0.02
    18   7    -0.02   0.02  -0.11     0.07   0.02   0.08    -0.02   0.00   0.23
    19   6     0.03   0.00  -0.02     0.01   0.04  -0.03    -0.00  -0.01  -0.08
    20   6     0.02  -0.02   0.10     0.01   0.01   0.05     0.00   0.00   0.09
    21   6    -0.00  -0.02   0.07     0.01  -0.00  -0.02    -0.00   0.00  -0.02
    22   6    -0.02  -0.00   0.17    -0.01   0.04  -0.05     0.01  -0.02  -0.15
    23   6     0.00  -0.05  -0.02    -0.03   0.13   0.01     0.02  -0.06  -0.08
    24   6     0.03  -0.00   0.12    -0.05   0.15   0.06     0.02  -0.04  -0.00
    25   6     0.00  -0.02  -0.11    -0.01  -0.08  -0.03     0.01   0.03   0.02
    26   6     0.02  -0.02   0.12    -0.10   0.13   0.04     0.03  -0.04   0.01
    27   6     0.02  -0.10  -0.02    -0.14  -0.03  -0.08     0.04  -0.01   0.02
    28   6    -0.02  -0.10  -0.08    -0.07  -0.10  -0.07     0.02   0.00   0.01
    29   6    -0.02  -0.09  -0.03    -0.06  -0.07  -0.06     0.02   0.00   0.01
    30   6     0.01  -0.01   0.11    -0.03   0.10   0.04     0.01  -0.03   0.01
    31   6    -0.01  -0.05  -0.01     0.01   0.13  -0.02    -0.01  -0.08  -0.11
    32   6    -0.04  -0.01   0.02     0.08   0.06  -0.07    -0.11   0.05   0.01
    33   6    -0.03   0.01   0.02     0.05  -0.00  -0.03    -0.12   0.10   0.08
    34   6    -0.03   0.01   0.02     0.03  -0.00  -0.05    -0.09   0.08   0.01
    35   6     0.00  -0.03  -0.01    -0.03   0.08  -0.02     0.03  -0.03  -0.11
    36   6     0.01   0.00  -0.10    -0.03  -0.05  -0.01     0.02   0.02   0.03
    37   6     0.04   0.08   0.03    -0.01   0.04   0.04    -0.00  -0.04  -0.02
    38   6     0.03   0.09   0.07     0.02   0.05   0.04    -0.02  -0.05  -0.03
    39   6     0.02   0.08   0.03     0.05   0.03   0.05    -0.02  -0.02  -0.01
    40   6     0.01   0.00  -0.10     0.02  -0.07  -0.02    -0.01   0.03   0.02
    41   7    -0.00   0.01  -0.01     0.03  -0.03   0.13     0.01  -0.00   0.16
    42   7     0.00   0.02  -0.16    -0.01  -0.03   0.03     0.00   0.01  -0.04
    43   7    -0.01  -0.01   0.12     0.01   0.02  -0.04    -0.00  -0.00  -0.02
    44   6     0.01   0.02  -0.01     0.06  -0.00   0.02    -0.01   0.00  -0.01
    45   6    -0.01   0.01   0.07     0.07  -0.01  -0.00    -0.02   0.00   0.01
    46   6    -0.03   0.01   0.07     0.05   0.02   0.00    -0.02  -0.00   0.01
    47   6    -0.02   0.03  -0.01     0.02  -0.00   0.01    -0.01   0.01  -0.01
    48   6     0.01   0.01  -0.00    -0.01  -0.02   0.03     0.00  -0.03   0.02
    49   6     0.02   0.01   0.00    -0.04  -0.01  -0.04     0.01  -0.01  -0.06
    50   6     0.02   0.02   0.00    -0.04  -0.03  -0.04     0.03   0.01  -0.06
    51   6     0.02   0.01  -0.01    -0.02  -0.03   0.03     0.05   0.01   0.02
    52   6    -0.02  -0.01   0.01    -0.02   0.00  -0.01     0.01   0.00  -0.00
    53   6    -0.01  -0.00  -0.06    -0.02  -0.01   0.01     0.01   0.00   0.01
    54   6     0.00  -0.01  -0.06    -0.01  -0.01   0.01     0.00   0.01   0.01
    55   6     0.01  -0.02   0.01     0.00  -0.00  -0.01    -0.00   0.01  -0.00
    56   6    -0.01  -0.01   0.01     0.05   0.06   0.00    -0.01  -0.02   0.00
    57   6     0.03   0.01  -0.06     0.05   0.05   0.04    -0.01  -0.01  -0.02
    58   6     0.04  -0.00   0.03     0.04   0.03   0.02    -0.01  -0.01   0.00
    59   6     0.01   0.02   0.05     0.05   0.01  -0.01    -0.01  -0.00   0.01
    60   6    -0.02   0.02   0.05     0.03   0.02   0.00    -0.01  -0.00   0.01
    61   6    -0.03   0.03   0.04    -0.03  -0.01  -0.01     0.00   0.01   0.01
    62   6    -0.02   0.06  -0.05    -0.03  -0.04  -0.00     0.00   0.02  -0.01
    63   6    -0.01   0.03   0.01     0.02  -0.05  -0.02    -0.00   0.02   0.01
    64   6    -0.01   0.02   0.01     0.01  -0.04  -0.02    -0.00   0.01  -0.01
    65   6    -0.02   0.01   0.00     0.04  -0.04   0.03    -0.01  -0.04   0.05
    66   6    -0.01  -0.00   0.00     0.01  -0.01  -0.02    -0.02  -0.04  -0.03
    67   6     0.01  -0.00  -0.00    -0.03  -0.01  -0.03     0.01  -0.03  -0.04
    68   6     0.01   0.01   0.00    -0.03  -0.01  -0.03     0.04   0.00  -0.04
    69   6     0.02  -0.00  -0.00    -0.03   0.01  -0.01     0.05   0.01  -0.04
    70   6     0.02  -0.01  -0.01    -0.03   0.01   0.06     0.07  -0.00   0.04
    71   6     0.03  -0.01  -0.00    -0.05   0.02  -0.01     0.03  -0.01  -0.02
    72   6    -0.01  -0.01  -0.01    -0.01  -0.01   0.01     0.00   0.01   0.00
    73   6    -0.04  -0.02   0.04    -0.02  -0.00  -0.02     0.02   0.01  -0.00
    74   6    -0.03  -0.00  -0.03    -0.02  -0.01  -0.00     0.01   0.00   0.01
    75   6    -0.02  -0.01  -0.04    -0.01  -0.01   0.01     0.01   0.01   0.01
    76   6     0.01  -0.02  -0.04    -0.00  -0.02   0.01    -0.00   0.01   0.01
    77   6     0.03  -0.02  -0.03     0.01  -0.01   0.00    -0.01   0.01   0.01
    78   6     0.02  -0.03   0.04     0.01   0.00  -0.01    -0.01   0.01  -0.01
    79   6     0.00  -0.00  -0.01    -0.00   0.00   0.01     0.00  -0.00   0.00
    80   1     0.01   0.02  -0.09    -0.08  -0.01   0.01     0.03   0.00   0.06
    81   1    -0.03  -0.03   0.03     0.09   0.02   0.03    -0.03  -0.03   0.09
    82   1    -0.02   0.02   0.02     0.06  -0.09  -0.11    -0.01   0.04  -0.24
    83   1     0.01   0.00   0.03    -0.00  -0.06   0.14     0.04   0.03   0.33
    84   1     0.00   0.03  -0.21    -0.10  -0.01  -0.03     0.02   0.01   0.02
    85   1     0.05   0.02  -0.32     0.05  -0.04  -0.08    -0.00   0.01  -0.08
    86   1     0.04   0.00   0.10    -0.02  -0.10   0.04     0.01   0.02   0.06
    87   1     0.05   0.01  -0.03     0.04   0.05  -0.03    -0.02  -0.02  -0.10
    88   1     0.03  -0.03   0.17     0.02   0.01   0.12    -0.00   0.00   0.23
    89   1    -0.05  -0.01   0.22    -0.05   0.03  -0.07     0.03  -0.01  -0.25
    90   1     0.03  -0.00   0.15    -0.13   0.20   0.07     0.03  -0.05   0.00
    91   1     0.03  -0.12  -0.06    -0.23  -0.07  -0.09     0.06   0.00   0.03
    92   1    -0.03  -0.11  -0.07    -0.05  -0.11  -0.07     0.01   0.00   0.01
    93   1     0.00   0.01   0.15     0.04   0.13   0.06     0.00  -0.03   0.01
    94   1    -0.01  -0.06  -0.01     0.00   0.17  -0.02     0.00  -0.14  -0.14
    95   1    -0.07  -0.01   0.03     0.15   0.07  -0.07    -0.17   0.05   0.02
    96   1    -0.03   0.02   0.02     0.03  -0.03  -0.06    -0.10   0.12   0.03
    97   1     0.02  -0.02  -0.01    -0.07   0.07  -0.02     0.10  -0.05  -0.15
    98   1     0.01  -0.02  -0.13    -0.07  -0.07  -0.02     0.03   0.04   0.05
    99   1     0.06   0.10   0.06    -0.02   0.07   0.04     0.00  -0.06  -0.03
   100   1     0.02   0.10   0.06     0.09   0.05   0.06    -0.04  -0.03  -0.00
   101   1    -0.00  -0.02  -0.12     0.03  -0.11  -0.03    -0.02   0.05   0.03
   102   1    -0.02  -0.04  -0.01     0.05   0.07  -0.01    -0.02  -0.02   0.00
   103   1     0.05   0.01  -0.14     0.05   0.05   0.05    -0.01  -0.01  -0.04
   104   1     0.05  -0.01   0.05     0.01   0.04   0.01     0.00  -0.01   0.01
   105   1     0.03   0.04   0.08     0.05   0.02  -0.03    -0.01  -0.00   0.02
   106   1    -0.02   0.03   0.07     0.03   0.08  -0.00    -0.01  -0.01   0.01
   107   1    -0.03   0.02   0.06    -0.06   0.02  -0.01     0.01  -0.00   0.02
   108   1    -0.02   0.07  -0.12    -0.05  -0.06   0.00     0.01   0.03  -0.02
   109   1    -0.01   0.02  -0.00     0.02  -0.11  -0.04    -0.01   0.03   0.01
   110   1    -0.01   0.04   0.01     0.02  -0.07  -0.04    -0.02   0.05   0.01
   111   1    -0.03   0.01  -0.00     0.06  -0.05   0.08    -0.02  -0.05   0.12
   112   1    -0.02  -0.02   0.01     0.02   0.02  -0.05    -0.04  -0.05  -0.06
   113   1     0.02  -0.02   0.00    -0.05   0.02  -0.05     0.03  -0.06  -0.07
   114   1     0.01   0.01   0.01    -0.03  -0.01  -0.07     0.06  -0.01  -0.06
   115   1     0.01  -0.01  -0.00    -0.01   0.03  -0.03     0.04   0.02  -0.07
   116   1     0.02  -0.01  -0.02    -0.02   0.01   0.11     0.08  -0.00   0.11
   117   1     0.03  -0.01   0.00    -0.07   0.03  -0.02     0.01  -0.00  -0.00
   118   1    -0.00   0.00   0.01    -0.00  -0.01   0.02     0.00   0.00  -0.01
   119   1    -0.05  -0.03   0.10    -0.02   0.00  -0.04     0.02   0.01  -0.01
   120   1    -0.04   0.00  -0.05    -0.02  -0.01   0.01     0.01   0.00   0.01
   121   1    -0.03  -0.03  -0.06    -0.02  -0.03   0.02     0.02   0.02   0.01
   122   1     0.01  -0.04  -0.06    -0.01  -0.04   0.02     0.00   0.02   0.01
   123   1     0.04  -0.02  -0.05     0.02  -0.01   0.01    -0.01   0.01   0.01
   124   1     0.03  -0.04   0.10     0.02   0.01  -0.03    -0.01   0.01  -0.02
   125   1     0.00   0.02   0.01    -0.00   0.02   0.02     0.00  -0.01  -0.01
   126  17    -0.00  -0.01   0.00     0.01   0.01  -0.00    -0.00  -0.00  -0.00
                     58                     59                     60
                      A                      A                      A
 Frequencies --    386.3610               387.9553               409.4991
 Red. masses --      6.7807                 5.3547                 6.8210
 Frc consts  --      0.5964                 0.4748                 0.6739
 IR Inten    --      7.8989                 1.5798                 1.4880
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.05   0.00     0.00  -0.00   0.01     0.08  -0.09   0.01
     2   6    -0.08   0.01  -0.01     0.01  -0.00  -0.00     0.15  -0.06  -0.02
     3   6    -0.09  -0.01  -0.00     0.01  -0.00  -0.01     0.10  -0.02   0.01
     4   6    -0.08   0.06  -0.00     0.01  -0.00  -0.01     0.07  -0.09   0.03
     5   6    -0.02   0.10  -0.01     0.00  -0.01  -0.01     0.09  -0.13  -0.01
     6   6     0.00   0.09   0.00     0.00  -0.01   0.01     0.09  -0.15  -0.01
     7   6    -0.10  -0.07   0.01     0.00  -0.00  -0.01     0.05   0.03   0.00
     8   6    -0.07  -0.11   0.01    -0.00   0.00  -0.04    -0.05   0.13  -0.02
     9   6    -0.07  -0.01   0.01     0.00   0.01   0.09    -0.09   0.05  -0.00
    10   6    -0.05   0.03   0.01     0.00   0.00   0.02    -0.05   0.02   0.02
    11   6    -0.08  -0.09   0.01     0.00  -0.01  -0.02     0.05   0.05   0.01
    12   6     0.04  -0.07   0.01    -0.00  -0.00   0.11     0.02   0.05  -0.01
    13   6     0.05  -0.10   0.00    -0.01  -0.00   0.12    -0.06   0.14   0.01
    14   6     0.02  -0.12  -0.01    -0.01   0.00  -0.15    -0.06   0.16  -0.01
    15   7    -0.09   0.02   0.00     0.00   0.01   0.16    -0.08   0.02  -0.01
    16   6    -0.07   0.03  -0.01     0.00  -0.00  -0.09    -0.09  -0.00   0.01
    17   6    -0.03   0.04  -0.01    -0.00  -0.00  -0.05    -0.05   0.01  -0.01
    18   7    -0.05   0.04   0.01    -0.00   0.00  -0.00    -0.05   0.04  -0.02
    19   6    -0.02  -0.02  -0.00     0.01  -0.01  -0.20    -0.07  -0.05   0.02
    20   6    -0.01  -0.03   0.01     0.00  -0.00   0.15    -0.08  -0.08  -0.02
    21   6     0.06  -0.02   0.00    -0.01  -0.00   0.15    -0.00  -0.06   0.00
    22   6    -0.00   0.02  -0.01    -0.00  -0.01   0.00    -0.04  -0.03   0.00
    23   6     0.05   0.06   0.00    -0.01   0.00   0.00    -0.09   0.04   0.06
    24   6     0.11   0.01   0.01    -0.00   0.00   0.01     0.02  -0.01  -0.02
    25   6     0.13  -0.00   0.01    -0.01  -0.00   0.01     0.07   0.03   0.03
    26   6     0.12  -0.01  -0.00     0.02  -0.01  -0.04     0.01  -0.02  -0.02
    27   6     0.10  -0.04  -0.01     0.03   0.05  -0.04     0.02  -0.00   0.04
    28   6     0.06  -0.03  -0.02     0.02   0.08   0.01     0.02  -0.01   0.02
    29   6     0.12  -0.04  -0.04     0.00   0.06  -0.03     0.03  -0.02   0.01
    30   6     0.13   0.00   0.01    -0.03  -0.01  -0.05     0.04  -0.01   0.01
    31   6     0.06   0.08   0.01    -0.01   0.00  -0.00    -0.10   0.03   0.04
    32   6     0.06   0.06  -0.01    -0.00  -0.00  -0.01    -0.02  -0.04  -0.09
    33   6     0.04   0.03  -0.01    -0.00  -0.00  -0.00     0.00  -0.05  -0.10
    34   6     0.06   0.05   0.01    -0.01  -0.00  -0.01    -0.04  -0.06  -0.10
    35   6     0.06   0.06   0.00    -0.01   0.00  -0.00    -0.10   0.03   0.05
    36   6     0.15  -0.00   0.02    -0.05  -0.00  -0.07     0.10   0.04   0.04
    37   6     0.14  -0.05  -0.04    -0.01   0.08  -0.05     0.08  -0.05  -0.07
    38   6     0.07  -0.04  -0.02     0.03   0.12   0.02     0.05  -0.04  -0.06
    39   6     0.11  -0.05   0.00     0.04   0.08  -0.04     0.07  -0.02  -0.03
    40   6     0.13  -0.02   0.00     0.02  -0.03  -0.07     0.09   0.02   0.01
    41   7     0.01   0.01  -0.01     0.00  -0.00   0.02     0.03  -0.04   0.15
    42   7     0.01  -0.02   0.05    -0.01  -0.02   0.15     0.01   0.01  -0.06
    43   7     0.01  -0.01   0.02    -0.01  -0.02   0.21     0.01  -0.03   0.07
    44   6    -0.03   0.00   0.02    -0.02  -0.01   0.03    -0.00   0.01  -0.02
    45   6    -0.05   0.03  -0.01    -0.01  -0.00  -0.05    -0.01   0.01   0.01
    46   6    -0.06   0.01  -0.02     0.01  -0.01  -0.05    -0.01  -0.00   0.01
    47   6    -0.04   0.01   0.01     0.01  -0.02   0.03    -0.00   0.01  -0.02
    48   6    -0.02  -0.02   0.00     0.00  -0.00   0.00     0.03   0.00   0.05
    49   6    -0.04  -0.02   0.01     0.00   0.00  -0.00     0.01   0.02  -0.03
    50   6    -0.02  -0.04   0.00     0.00   0.00  -0.00    -0.01   0.02  -0.02
    51   6    -0.02  -0.02  -0.01     0.00   0.00   0.00     0.01  -0.01   0.06
    52   6    -0.04   0.01   0.01    -0.03  -0.02   0.05    -0.01   0.00   0.04
    53   6    -0.05   0.04   0.00    -0.01  -0.01  -0.07    -0.01   0.02  -0.00
    54   6    -0.07   0.01  -0.01     0.02  -0.01  -0.07    -0.03   0.00  -0.02
    55   6    -0.04   0.02   0.00     0.02  -0.03   0.05    -0.02  -0.01   0.02
    56   6    -0.05  -0.06  -0.02    -0.00  -0.00  -0.02    -0.01  -0.02   0.01
    57   6    -0.04  -0.07  -0.01    -0.03  -0.02   0.04    -0.01  -0.01  -0.03
    58   6    -0.02  -0.04  -0.02    -0.02   0.00  -0.03    -0.01  -0.02   0.00
    59   6    -0.05   0.01  -0.01    -0.01  -0.01  -0.03    -0.01  -0.01   0.01
    60   6    -0.04   0.03  -0.01     0.01  -0.01  -0.03    -0.01   0.01   0.01
    61   6    -0.00   0.05   0.01     0.02  -0.01  -0.03    -0.00   0.02   0.01
    62   6    -0.00   0.08   0.04     0.01  -0.03   0.04    -0.00   0.03  -0.01
    63   6    -0.01   0.08   0.01    -0.00  -0.00  -0.02     0.00   0.02   0.02
    64   6     0.02  -0.05  -0.01    -0.00   0.00  -0.00    -0.03   0.03  -0.03
    65   6     0.03  -0.05  -0.02    -0.00   0.00   0.01    -0.00   0.03   0.07
    66   6     0.02  -0.03  -0.01    -0.00   0.00  -0.00    -0.01   0.04  -0.00
    67   6    -0.02  -0.03   0.01     0.00   0.00  -0.00    -0.01   0.04  -0.03
    68   6    -0.03  -0.02   0.00     0.00   0.00  -0.00     0.02   0.02  -0.04
    69   6    -0.03   0.02   0.01     0.00  -0.00  -0.00     0.02  -0.02  -0.02
    70   6    -0.05   0.03   0.02     0.00  -0.00   0.00     0.04  -0.03   0.04
    71   6    -0.05   0.02   0.01     0.00  -0.00  -0.00     0.02  -0.01  -0.04
    72   6    -0.06  -0.07  -0.02     0.00  -0.00  -0.02    -0.02  -0.05  -0.03
    73   6    -0.04  -0.08  -0.02    -0.04  -0.02   0.06    -0.03  -0.06   0.00
    74   6    -0.02  -0.04  -0.02    -0.03   0.00  -0.04    -0.03  -0.04  -0.02
    75   6    -0.05   0.01   0.00    -0.02  -0.01  -0.04    -0.04  -0.00  -0.02
    76   6    -0.05   0.03  -0.01     0.01  -0.02  -0.04    -0.03   0.05  -0.02
    77   6    -0.00   0.06   0.02     0.03  -0.02  -0.04    -0.01   0.06   0.01
    78   6    -0.00   0.09   0.04     0.02  -0.05   0.06    -0.01   0.06   0.05
    79   6    -0.01   0.09   0.01     0.00  -0.01  -0.03     0.01   0.06  -0.01
    80   1    -0.08   0.03   0.00     0.01   0.01   0.21    -0.06   0.03  -0.02
    81   1    -0.09  -0.02  -0.00     0.01  -0.00   0.00     0.14  -0.06  -0.06
    82   1    -0.01   0.14  -0.01     0.00  -0.01  -0.01     0.09  -0.11  -0.03
    83   1     0.02   0.10   0.01     0.00  -0.01   0.03     0.08  -0.16  -0.02
    84   1    -0.12  -0.04  -0.01     0.00  -0.01  -0.12     0.05   0.05   0.02
    85   1     0.05  -0.10   0.01    -0.02  -0.00   0.17    -0.13   0.13   0.03
    86   1     0.04  -0.15  -0.02    -0.01   0.00  -0.32    -0.05   0.16  -0.00
    87   1     0.03  -0.01  -0.00     0.01  -0.01  -0.33    -0.03  -0.04   0.04
    88   1    -0.03   0.00   0.01     0.01  -0.01   0.26    -0.10  -0.05  -0.04
    89   1    -0.05   0.01  -0.00    -0.01  -0.01  -0.08    -0.10  -0.04   0.03
    90   1     0.11  -0.01  -0.01     0.05  -0.05  -0.05    -0.00  -0.03  -0.04
    91   1     0.12  -0.03  -0.01     0.06   0.05  -0.06     0.01   0.01   0.06
    92   1     0.14  -0.08  -0.04    -0.02   0.09  -0.03     0.04  -0.05   0.01
    93   1     0.14   0.02   0.03    -0.06  -0.04  -0.08     0.06   0.01   0.02
    94   1     0.05   0.09   0.01    -0.01  -0.00  -0.00    -0.12   0.04   0.08
    95   1     0.09   0.07  -0.01    -0.00  -0.00  -0.01    -0.03  -0.04  -0.10
    96   1     0.06   0.07   0.01    -0.01  -0.00  -0.01    -0.03  -0.06  -0.10
    97   1     0.05   0.05  -0.00    -0.01   0.00  -0.00    -0.13   0.05   0.09
    98   1     0.17   0.02   0.04    -0.11  -0.03  -0.08     0.13   0.08   0.09
    99   1     0.16  -0.10  -0.04    -0.04   0.12  -0.07     0.09  -0.08  -0.09
   100   1     0.13  -0.04   0.00     0.09   0.10  -0.05     0.08  -0.00  -0.02
   101   1     0.12  -0.02  -0.01     0.04  -0.09  -0.10     0.09   0.02   0.01
   102   1    -0.07  -0.09  -0.03     0.01   0.01  -0.02    -0.01  -0.03   0.02
   103   1    -0.03  -0.09   0.00    -0.04  -0.03   0.10    -0.01  -0.00  -0.05
   104   1     0.02  -0.04  -0.03    -0.02   0.01  -0.06    -0.00  -0.02   0.01
   105   1    -0.03   0.03  -0.01    -0.02  -0.02  -0.06    -0.01  -0.01   0.04
   106   1    -0.04   0.02  -0.04     0.01  -0.03  -0.06    -0.01   0.01   0.03
   107   1     0.04   0.04   0.00     0.03  -0.00  -0.05     0.00   0.01   0.03
   108   1     0.00   0.07   0.07     0.02  -0.04   0.10    -0.00   0.04  -0.03
   109   1    -0.01   0.12  -0.00    -0.00   0.02  -0.02     0.00   0.02   0.03
   110   1     0.04  -0.08  -0.01    -0.00   0.00  -0.00    -0.04   0.04  -0.09
   111   1     0.03  -0.04  -0.03     0.00  -0.00   0.01     0.02   0.02   0.11
   112   1     0.04  -0.00  -0.01    -0.00   0.00  -0.00    -0.03   0.04  -0.03
   113   1    -0.03  -0.01   0.02    -0.00   0.00  -0.01    -0.03   0.06  -0.10
   114   1    -0.02  -0.02  -0.01     0.00   0.00  -0.01    -0.01   0.04  -0.09
   115   1    -0.01   0.03   0.02    -0.00  -0.00  -0.01    -0.00  -0.02  -0.05
   116   1    -0.05   0.04   0.01     0.01  -0.00   0.01     0.05  -0.04   0.09
   117   1    -0.07   0.03   0.01     0.00  -0.00  -0.00     0.03  -0.02  -0.08
   118   1    -0.08  -0.11  -0.02     0.02   0.03  -0.03    -0.04  -0.06  -0.04
   119   1    -0.04  -0.09  -0.02    -0.05  -0.03   0.14    -0.04  -0.06   0.03
   120   1     0.03  -0.05  -0.02    -0.04   0.01  -0.08     0.01  -0.04  -0.04
   121   1    -0.03   0.04   0.01    -0.03  -0.03  -0.09    -0.03   0.01  -0.04
   122   1    -0.05   0.02  -0.03     0.02  -0.04  -0.08    -0.02   0.07  -0.06
   123   1     0.04   0.04   0.01     0.03  -0.01  -0.08     0.02   0.05  -0.00
   124   1     0.00   0.09   0.05     0.02  -0.06   0.14    -0.02   0.05   0.07
   125   1    -0.01   0.13   0.00     0.00   0.02  -0.03     0.02   0.08  -0.05
   126  17     0.01  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.01   0.00
                     61                     62                     63
                      A                      A                      A
 Frequencies --    417.0948               419.7298               424.3872
 Red. masses --      5.6603                 4.8826                 4.0553
 Frc consts  --      0.5802                 0.5068                 0.4303
 IR Inten    --      7.1708                 2.5683                 1.9644
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.01   0.02     0.01  -0.01  -0.03     0.01  -0.01  -0.03
     2   6     0.02  -0.02  -0.03     0.01  -0.01   0.08     0.04   0.00   0.08
     3   6    -0.00  -0.00   0.00     0.00  -0.01  -0.02     0.04   0.01  -0.04
     4   6     0.01   0.07   0.03     0.01   0.03  -0.05     0.03  -0.01  -0.09
     5   6     0.02   0.08  -0.03     0.02   0.04   0.06     0.03  -0.02   0.04
     6   6     0.04   0.05  -0.01     0.02   0.02  -0.02     0.02  -0.01   0.02
     7   6    -0.01  -0.03   0.00    -0.01  -0.03  -0.04     0.02   0.01  -0.01
     8   6    -0.00  -0.02   0.05    -0.00  -0.03  -0.09    -0.01   0.04   0.05
     9   6     0.03   0.06   0.04     0.01   0.03  -0.10    -0.01   0.01   0.01
    10   6     0.00   0.07   0.04     0.00   0.04  -0.06     0.00   0.00  -0.05
    11   6    -0.03  -0.08  -0.04    -0.02  -0.05   0.10     0.01  -0.00  -0.02
    12   6    -0.02  -0.08   0.01    -0.01  -0.04  -0.06    -0.00  -0.01   0.01
    13   6    -0.03  -0.09  -0.04    -0.01  -0.06  -0.02    -0.03   0.02  -0.06
    14   6    -0.03  -0.04   0.00    -0.01  -0.05   0.10    -0.02   0.04   0.02
    15   7     0.06   0.04  -0.08     0.02   0.03   0.08    -0.01  -0.00   0.01
    16   6     0.05  -0.01   0.00     0.02   0.01   0.03    -0.02  -0.02  -0.03
    17   6     0.01  -0.03  -0.00     0.00   0.00   0.01    -0.00  -0.01   0.03
    18   7    -0.02   0.02  -0.05    -0.01   0.03   0.09    -0.00  -0.01   0.04
    19   6     0.06  -0.03   0.08     0.04  -0.01  -0.05    -0.03  -0.02  -0.04
    20   6     0.03  -0.07  -0.04     0.02  -0.05   0.00    -0.03  -0.01   0.06
    21   6    -0.02  -0.06  -0.04    -0.01  -0.05   0.01    -0.00  -0.00  -0.01
    22   6    -0.00  -0.08   0.05    -0.01  -0.05  -0.10    -0.00  -0.01  -0.00
    23   6    -0.04   0.00   0.05    -0.03   0.01  -0.05    -0.02   0.00  -0.07
    24   6     0.03   0.05   0.08     0.02   0.04  -0.06     0.00   0.00   0.06
    25   6    -0.02   0.07   0.01    -0.01   0.04   0.08     0.01   0.01  -0.05
    26   6     0.06   0.05   0.05    -0.03   0.05  -0.02     0.02  -0.03  -0.01
    27   6     0.03   0.00  -0.10    -0.05  -0.02   0.07     0.04   0.04  -0.02
    28   6     0.02  -0.01  -0.11    -0.02  -0.10   0.00     0.01   0.03  -0.05
    29   6     0.02   0.00  -0.11     0.03  -0.08   0.01    -0.01  -0.01  -0.09
    30   6     0.02   0.06   0.05     0.07   0.06   0.03    -0.01   0.04   0.07
    31   6    -0.05  -0.02   0.01     0.00   0.03  -0.03     0.04  -0.01  -0.10
    32   6    -0.05  -0.02  -0.05     0.02   0.01   0.06    -0.01   0.04   0.14
    33   6    -0.03  -0.02  -0.06     0.04  -0.05   0.01     0.03  -0.05   0.04
    34   6    -0.03  -0.03  -0.08     0.01  -0.07  -0.00     0.03  -0.11  -0.03
    35   6    -0.05   0.01   0.04    -0.08   0.01   0.03    -0.10   0.02   0.06
    36   6    -0.02   0.06  -0.01    -0.04   0.05   0.04     0.05   0.05   0.05
    37   6    -0.03   0.02   0.01    -0.04   0.03  -0.09     0.00  -0.08  -0.03
    38   6    -0.06  -0.05  -0.06    -0.02   0.02  -0.09    -0.00  -0.04   0.03
    39   6    -0.10  -0.03  -0.08    -0.01   0.02  -0.09    -0.00   0.04   0.11
    40   6    -0.05   0.13   0.08     0.00   0.04   0.05    -0.03  -0.04  -0.09
    41   7     0.01  -0.03   0.11    -0.01  -0.00  -0.09    -0.01  -0.00  -0.11
    42   7    -0.01  -0.05   0.18     0.00  -0.00  -0.11    -0.00  -0.02   0.10
    43   7    -0.03  -0.02   0.02    -0.02  -0.03   0.16     0.01   0.01  -0.08
    44   6    -0.00  -0.02   0.08     0.03   0.01  -0.04    -0.01  -0.01   0.04
    45   6    -0.00   0.01  -0.02     0.02   0.01   0.03    -0.00  -0.00  -0.01
    46   6    -0.01   0.00  -0.03    -0.01   0.01   0.03     0.00  -0.01  -0.01
    47   6    -0.01  -0.02   0.07    -0.02   0.02  -0.04     0.00  -0.02   0.04
    48   6     0.02  -0.01   0.03     0.00   0.01  -0.03     0.00   0.01  -0.05
    49   6     0.01   0.00  -0.02     0.00   0.01   0.02     0.00   0.00   0.01
    50   6    -0.00   0.01  -0.01    -0.01   0.00   0.02    -0.02   0.01   0.01
    51   6     0.01  -0.00   0.05    -0.02   0.00  -0.03    -0.03   0.01  -0.05
    52   6     0.02  -0.02   0.01    -0.01  -0.02   0.06     0.01   0.01  -0.04
    53   6     0.02  -0.01   0.00     0.00  -0.01  -0.02     0.01   0.01   0.01
    54   6     0.01   0.02   0.01     0.01   0.00  -0.01    -0.00   0.00   0.01
    55   6    -0.01   0.01   0.02    -0.00  -0.01   0.07    -0.00   0.00  -0.03
    56   6    -0.00  -0.01  -0.05    -0.00  -0.00   0.02     0.00  -0.00  -0.04
    57   6    -0.02  -0.04   0.05     0.02   0.01  -0.03    -0.02  -0.03   0.03
    58   6    -0.01  -0.02  -0.02     0.02  -0.01   0.02    -0.02  -0.01  -0.01
    59   6    -0.02   0.01  -0.05     0.01   0.00   0.02    -0.01  -0.00  -0.04
    60   6    -0.00   0.03  -0.05    -0.01   0.02   0.03     0.00   0.02  -0.03
    61   6    -0.00   0.02  -0.00    -0.02   0.02   0.02     0.01   0.01   0.00
    62   6    -0.01   0.00   0.07    -0.02   0.04  -0.03     0.00  -0.01   0.04
    63   6     0.01   0.03  -0.05     0.01   0.01   0.03     0.01   0.01  -0.03
    64   6    -0.03   0.03  -0.02    -0.01   0.01   0.02    -0.02   0.01   0.04
    65   6    -0.01   0.02   0.05    -0.01   0.04  -0.02    -0.02   0.05  -0.03
    66   6    -0.02   0.03   0.00    -0.00   0.03   0.02    -0.01   0.05   0.02
    67   6    -0.01   0.03  -0.03    -0.00   0.02   0.02    -0.00   0.04   0.04
    68   6     0.03   0.01  -0.03     0.01  -0.00   0.02     0.03  -0.01   0.03
    69   6     0.04  -0.01  -0.02     0.00  -0.02   0.01     0.02  -0.02  -0.00
    70   6     0.05  -0.03   0.02    -0.01  -0.01  -0.03     0.00  -0.01  -0.05
    71   6     0.02  -0.02  -0.03     0.01  -0.01   0.02     0.01  -0.02   0.03
    72   6     0.01   0.06  -0.01     0.01   0.03  -0.04     0.00  -0.02   0.02
    73   6     0.05   0.05   0.03     0.01   0.01   0.07     0.00  -0.01  -0.03
    74   6     0.05   0.05   0.02     0.02   0.03   0.00    -0.00  -0.02  -0.00
    75   6     0.05   0.04  -0.01     0.02   0.03  -0.04    -0.01  -0.01   0.02
    76   6     0.02  -0.02  -0.01     0.02  -0.02  -0.04    -0.01   0.02   0.03
    77   6    -0.01  -0.05  -0.01     0.01  -0.04  -0.02    -0.01   0.03   0.01
    78   6    -0.01  -0.05  -0.01    -0.00  -0.06   0.04    -0.00   0.03  -0.02
    79   6    -0.01  -0.04  -0.02    -0.01  -0.02  -0.05     0.01   0.01   0.03
    80   1     0.08   0.06  -0.10     0.03   0.05   0.08    -0.00  -0.00   0.03
    81   1     0.02  -0.03  -0.07     0.01  -0.02   0.16     0.05   0.01   0.19
    82   1     0.02   0.09  -0.06     0.02   0.04   0.15     0.03  -0.02   0.13
    83   1     0.09   0.06  -0.02     0.05   0.03  -0.02     0.03  -0.01   0.07
    84   1    -0.02  -0.10  -0.07    -0.02  -0.06   0.25     0.02  -0.01  -0.05
    85   1    -0.06  -0.10  -0.06    -0.01  -0.06   0.00    -0.06   0.01  -0.11
    86   1    -0.05  -0.03  -0.00    -0.02  -0.04   0.23    -0.03   0.05   0.03
    87   1     0.09  -0.02   0.15     0.08  -0.00  -0.11    -0.04  -0.02  -0.06
    88   1     0.07  -0.12  -0.06     0.05  -0.08   0.01    -0.04   0.01   0.11
    89   1    -0.02  -0.09   0.12    -0.03  -0.06  -0.17    -0.00  -0.01  -0.04
    90   1     0.09   0.05   0.09    -0.09   0.10  -0.04     0.04  -0.09  -0.04
    91   1     0.08   0.01  -0.12    -0.12  -0.00   0.13     0.09   0.08   0.01
    92   1    -0.01   0.02  -0.13     0.09  -0.15   0.02    -0.06  -0.01  -0.15
    93   1     0.00   0.08   0.09     0.16   0.13   0.08    -0.04   0.07   0.13
    94   1    -0.06  -0.05   0.02     0.03   0.07  -0.06     0.10  -0.01  -0.20
    95   1    -0.09  -0.02  -0.05     0.05   0.05   0.12     0.00   0.11   0.24
    96   1    -0.01  -0.01  -0.10     0.01  -0.14  -0.01     0.06  -0.22  -0.08
    97   1    -0.05   0.03   0.08    -0.16   0.03   0.07    -0.22   0.06   0.15
    98   1     0.00   0.05  -0.03    -0.09   0.05   0.06     0.11   0.12   0.13
    99   1    -0.00   0.04   0.06    -0.08   0.07  -0.10     0.02  -0.17  -0.09
   100   1    -0.15  -0.07  -0.11     0.03   0.02  -0.11    -0.03   0.09   0.20
   101   1    -0.06   0.23   0.16     0.03   0.04   0.08    -0.07  -0.07  -0.18
   102   1    -0.00   0.00  -0.11    -0.02  -0.03   0.03     0.01   0.01  -0.09
   103   1    -0.03  -0.05   0.11     0.03   0.01  -0.07    -0.02  -0.03   0.06
   104   1     0.00  -0.01  -0.06     0.02  -0.01   0.04    -0.01  -0.01  -0.03
   105   1    -0.01   0.03  -0.12     0.02   0.02   0.05    -0.01   0.01  -0.10
   106   1     0.01   0.06  -0.13    -0.01   0.04   0.07     0.01   0.03  -0.08
   107   1     0.01   0.03  -0.04    -0.02   0.01   0.05     0.01   0.01  -0.02
   108   1    -0.02  -0.02   0.13    -0.02   0.04  -0.07    -0.00  -0.02   0.07
   109   1     0.02   0.05  -0.12     0.00  -0.02   0.04     0.01   0.03  -0.08
   110   1    -0.04   0.04  -0.07    -0.00  -0.01   0.04    -0.01  -0.01   0.08
   111   1     0.01   0.02   0.08    -0.00   0.04  -0.05    -0.01   0.06  -0.06
   112   1    -0.03   0.03  -0.02     0.00   0.02   0.04    -0.01   0.04   0.04
   113   1    -0.02   0.05  -0.08    -0.01   0.04   0.05    -0.00   0.05   0.10
   114   1     0.02   0.01  -0.07    -0.00   0.00   0.04     0.03  -0.02   0.07
   115   1     0.02  -0.02  -0.04     0.00  -0.02   0.03     0.02  -0.03   0.02
   116   1     0.06  -0.02   0.06    -0.01  -0.00  -0.06    -0.00   0.00  -0.08
   117   1     0.02  -0.02  -0.06     0.03  -0.02   0.03     0.04  -0.04   0.07
   118   1     0.01   0.06  -0.04     0.02   0.06  -0.11    -0.01  -0.03   0.05
   119   1     0.06   0.03   0.04     0.01  -0.01   0.11     0.00   0.01  -0.06
   120   1     0.03   0.05   0.02     0.01   0.04  -0.03    -0.00  -0.02   0.01
   121   1     0.07   0.07  -0.04     0.03   0.05  -0.12    -0.01  -0.02   0.05
   122   1     0.03  -0.01  -0.03     0.03  -0.01  -0.11    -0.01   0.02   0.08
   123   1    -0.03  -0.04  -0.01    -0.00  -0.02  -0.05    -0.00   0.02   0.03
   124   1    -0.01  -0.05  -0.00     0.00  -0.06   0.09    -0.01   0.03  -0.05
   125   1    -0.01  -0.06  -0.04    -0.00  -0.01  -0.10     0.01  -0.01   0.07
   126  17    -0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
                     64                     65                     66
                      A                      A                      A
 Frequencies --    426.2660               426.8592               427.3138
 Red. masses --      3.2004                 3.3086                 3.5590
 Frc consts  --      0.3426                 0.3552                 0.3829
 IR Inten    --      1.6871                 1.3528                 1.1925
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00     0.00  -0.01  -0.01     0.01  -0.01  -0.02
     2   6     0.01  -0.00  -0.00     0.01  -0.01   0.03     0.03  -0.01   0.04
     3   6     0.00  -0.00   0.01     0.01  -0.00   0.01     0.03  -0.01   0.00
     4   6     0.00   0.01  -0.01     0.01  -0.01  -0.03     0.02  -0.03  -0.06
     5   6     0.01   0.01  -0.01     0.01  -0.01  -0.01     0.02  -0.04  -0.01
     6   6     0.01   0.01   0.02     0.01  -0.02   0.02     0.02  -0.03   0.05
     7   6     0.00  -0.01   0.02     0.01   0.00   0.01     0.01   0.01   0.02
     8   6     0.00  -0.01   0.01    -0.00   0.02   0.02    -0.01   0.03   0.03
     9   6     0.00   0.01  -0.01     0.00   0.02  -0.01    -0.02   0.01   0.00
    10   6    -0.00   0.01  -0.01    -0.00   0.01  -0.02    -0.01   0.00  -0.03
    11   6     0.00  -0.01   0.00     0.00  -0.01  -0.02     0.01   0.00  -0.02
    12   6     0.00  -0.01  -0.00    -0.01  -0.01  -0.01     0.00   0.00   0.01
    13   6     0.01  -0.02   0.00    -0.02  -0.00  -0.01    -0.02   0.03  -0.00
    14   6     0.01  -0.01  -0.01    -0.02   0.01   0.00    -0.02   0.04  -0.02
    15   7    -0.00   0.01  -0.01     0.01   0.01  -0.00    -0.02   0.00   0.02
    16   6    -0.01   0.00   0.00     0.01   0.00  -0.00    -0.02  -0.00  -0.03
    17   6    -0.01   0.00   0.01    -0.00  -0.00   0.01    -0.01   0.00   0.01
    18   7    -0.01   0.01   0.01    -0.01   0.01   0.02    -0.01   0.01   0.04
    19   6     0.00  -0.01   0.01     0.01  -0.01  -0.00    -0.02  -0.01  -0.03
    20   6    -0.01  -0.02  -0.01     0.00  -0.02   0.00    -0.02  -0.01   0.05
    21   6    -0.01  -0.02  -0.01    -0.01  -0.02  -0.01     0.00  -0.01  -0.00
    22   6    -0.01  -0.01  -0.00    -0.01  -0.02  -0.00    -0.01  -0.01  -0.02
    23   6    -0.01   0.00  -0.01    -0.01   0.00  -0.04    -0.02   0.01  -0.06
    24   6     0.01   0.00  -0.01     0.00   0.01   0.02     0.01   0.00   0.01
    25   6     0.00   0.01   0.01    -0.00   0.02  -0.00     0.02   0.01  -0.02
    26   6     0.03   0.12   0.16     0.01   0.00   0.00     0.02   0.03   0.05
    27   6    -0.03  -0.12  -0.16     0.01   0.01  -0.01     0.01  -0.03  -0.06
    28   6    -0.00  -0.01  -0.00     0.00  -0.01  -0.03     0.01   0.00  -0.01
    29   6     0.04   0.11   0.16     0.00  -0.01  -0.04     0.02   0.03   0.03
    30   6    -0.02  -0.11  -0.16     0.01   0.03   0.03    -0.00  -0.03  -0.04
    31   6     0.00   0.00  -0.02    -0.09   0.10   0.14    -0.02   0.05   0.00
    32   6    -0.00   0.01   0.02     0.10  -0.09  -0.12     0.05  -0.02   0.02
    33   6     0.01  -0.02   0.00     0.02  -0.03   0.02     0.03  -0.04   0.03
    34   6     0.00  -0.03  -0.01    -0.09   0.05   0.17    -0.02  -0.03   0.07
    35   6    -0.03   0.00   0.02     0.05  -0.10  -0.16    -0.03  -0.03  -0.05
    36   6     0.02   0.06   0.07     0.02   0.07   0.07     0.01  -0.10  -0.15
    37   6    -0.01  -0.05  -0.07    -0.02  -0.05  -0.07     0.06   0.08   0.15
    38   6    -0.01  -0.01  -0.02    -0.02  -0.02  -0.02     0.01  -0.03   0.01
    39   6     0.00   0.04   0.04    -0.01   0.04   0.06    -0.02  -0.12  -0.13
    40   6    -0.01  -0.02  -0.04    -0.03  -0.02  -0.05     0.04   0.11   0.13
    41   7    -0.00  -0.00  -0.02    -0.00   0.00  -0.06    -0.01   0.00  -0.09
    42   7    -0.00  -0.00  -0.01    -0.00  -0.01   0.03     0.00  -0.00   0.02
    43   7    -0.00  -0.01   0.01    -0.01  -0.01   0.00     0.01  -0.00  -0.03
    44   6    -0.01  -0.01   0.01     0.00  -0.00   0.02    -0.00  -0.00   0.02
    45   6    -0.01  -0.00   0.01     0.00   0.00   0.00    -0.00  -0.00   0.01
    46   6    -0.01   0.01  -0.01    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    47   6    -0.01   0.02  -0.01    -0.00  -0.01   0.02    -0.00  -0.00   0.00
    48   6     0.00   0.00  -0.01    -0.00   0.02  -0.04    -0.00   0.02  -0.05
    49   6     0.00   0.00   0.00     0.00   0.02  -0.01    -0.00   0.01   0.00
    50   6    -0.01   0.00   0.00     0.00   0.00   0.01    -0.01   0.00   0.01
    51   6    -0.01   0.00  -0.01     0.00  -0.00  -0.01    -0.02   0.00  -0.04
    52   6     0.01   0.00   0.00     0.01  -0.00  -0.01    -0.00  -0.00   0.01
    53   6     0.01   0.00   0.00     0.01   0.00  -0.00    -0.00   0.00   0.02
    54   6     0.00  -0.00   0.01     0.00   0.00   0.01    -0.01   0.01  -0.01
    55   6    -0.00  -0.01   0.01    -0.00  -0.00   0.01    -0.01   0.01  -0.03
    56   6    -0.01   0.01   0.01     0.00  -0.00  -0.02    -0.00  -0.01  -0.01
    57   6     0.01   0.02   0.00    -0.00  -0.01   0.01    -0.01  -0.01   0.00
    58   6     0.01   0.02   0.01    -0.00  -0.01   0.00    -0.01  -0.01  -0.00
    59   6     0.01   0.02   0.01    -0.00   0.00  -0.02    -0.01  -0.00  -0.01
    60   6     0.00  -0.02  -0.01     0.00   0.01  -0.01    -0.00   0.01  -0.01
    61   6    -0.00  -0.02  -0.00    -0.00   0.01   0.01    -0.00   0.01   0.00
    62   6    -0.00  -0.02  -0.00    -0.00   0.00   0.01    -0.00   0.00   0.01
    63   6    -0.01  -0.01  -0.01     0.01   0.01  -0.02     0.00   0.01  -0.01
    64   6    -0.01   0.00   0.01     0.01   0.00   0.01    -0.00   0.00   0.03
    65   6    -0.01   0.02  -0.00     0.00   0.01  -0.02    -0.01   0.03  -0.03
    66   6    -0.00   0.02   0.01     0.01  -0.00   0.00     0.00   0.02   0.01
    67   6    -0.00   0.01   0.01     0.01  -0.00   0.01     0.00   0.01   0.03
    68   6     0.01  -0.00   0.00    -0.01   0.00   0.03     0.00  -0.00   0.03
    69   6     0.01  -0.01  -0.00    -0.02   0.00   0.00    -0.01  -0.01   0.00
    70   6     0.01  -0.01  -0.01    -0.02   0.01  -0.02    -0.02   0.00  -0.04
    71   6     0.00  -0.01   0.00     0.01   0.01   0.03     0.01  -0.01   0.04
    72   6     0.00   0.00  -0.01     0.00   0.01  -0.01    -0.01  -0.01   0.02
    73   6     0.00  -0.01   0.01     0.01   0.01   0.01    -0.00  -0.00  -0.02
    74   6    -0.00  -0.01   0.00     0.01   0.00   0.01     0.00  -0.00  -0.00
    75   6    -0.00   0.00  -0.01     0.01   0.01  -0.01    -0.01  -0.00   0.02
    76   6     0.00   0.01  -0.01     0.00   0.00  -0.00    -0.01   0.01   0.00
    77   6    -0.00   0.01   0.00    -0.00  -0.00   0.00    -0.01   0.01   0.01
    78   6    -0.00   0.00   0.01    -0.00  -0.01  -0.00    -0.01   0.02  -0.00
    79   6     0.01   0.00  -0.01     0.00  -0.01  -0.00    -0.00   0.01   0.00
    80   1     0.00   0.02  -0.00     0.01   0.02   0.00    -0.02   0.00   0.04
    81   1     0.01  -0.00  -0.01     0.01  -0.01   0.05     0.03  -0.01   0.08
    82   1     0.01   0.02  -0.02     0.01  -0.02  -0.01     0.02  -0.04   0.02
    83   1     0.02   0.01   0.04    -0.00  -0.02   0.04     0.01  -0.04   0.10
    84   1     0.01  -0.02  -0.01     0.01  -0.02  -0.03     0.01   0.00  -0.07
    85   1     0.02  -0.02   0.00    -0.04  -0.01  -0.01    -0.04   0.02  -0.02
    86   1     0.00  -0.01  -0.03    -0.02   0.02  -0.00    -0.02   0.04  -0.05
    87   1     0.01  -0.00   0.02     0.03  -0.01   0.00    -0.01  -0.01  -0.03
    88   1    -0.00  -0.02  -0.01     0.01  -0.03   0.02    -0.01  -0.01   0.10
    89   1    -0.03  -0.02   0.01    -0.02  -0.02  -0.01    -0.01  -0.01  -0.04
    90   1     0.06   0.27   0.34     0.01  -0.01  -0.00     0.04   0.07   0.10
    91   1    -0.07  -0.24  -0.31     0.02   0.03   0.01     0.01  -0.07  -0.10
    92   1     0.08   0.23   0.32    -0.01  -0.02  -0.05     0.02   0.07   0.07
    93   1    -0.05  -0.24  -0.33     0.01   0.05   0.06    -0.01  -0.07  -0.08
    94   1     0.01   0.00  -0.04    -0.17   0.23   0.29    -0.02   0.13   0.03
    95   1     0.00   0.02   0.04     0.21  -0.17  -0.25     0.12  -0.01   0.02
    96   1     0.01  -0.05  -0.02    -0.19   0.11   0.34    -0.06  -0.07   0.12
    97   1    -0.05   0.01   0.03     0.10  -0.20  -0.32    -0.08  -0.06  -0.08
    98   1     0.04   0.11   0.14     0.04   0.13   0.15    -0.01  -0.21  -0.30
    99   1    -0.02  -0.09  -0.12    -0.03  -0.10  -0.13     0.11   0.17   0.30
   100   1     0.01   0.08   0.10    -0.01   0.09   0.12    -0.07  -0.23  -0.26
   101   1    -0.03  -0.06  -0.10    -0.05  -0.05  -0.11     0.07   0.25   0.28
   102   1    -0.01   0.00   0.03     0.00   0.00  -0.04    -0.00  -0.01  -0.01
   103   1     0.02   0.00   0.00    -0.01  -0.01   0.02    -0.01  -0.01   0.01
   104   1     0.01   0.02   0.02    -0.00  -0.01  -0.00    -0.00  -0.01  -0.00
   105   1     0.02   0.02   0.04    -0.00   0.01  -0.04    -0.01  -0.00  -0.01
   106   1     0.01  -0.02  -0.04     0.00   0.02  -0.04     0.00   0.01  -0.04
   107   1    -0.00  -0.02  -0.01    -0.00   0.01   0.00     0.00   0.01  -0.00
   108   1     0.01  -0.01  -0.01    -0.01  -0.00   0.02    -0.00   0.00   0.01
   109   1    -0.01   0.00  -0.03     0.01   0.01  -0.04     0.00   0.02  -0.03
   110   1    -0.01   0.00   0.01     0.01   0.00   0.01     0.01  -0.02   0.07
   111   1    -0.00   0.02  -0.01    -0.01   0.01  -0.04    -0.01   0.03  -0.06
   112   1    -0.01   0.01   0.01     0.01  -0.00   0.00     0.00   0.01   0.02
   113   1    -0.00   0.02   0.01     0.01  -0.01   0.01     0.01   0.01   0.08
   114   1     0.01  -0.00   0.01    -0.01  -0.00   0.09     0.00  -0.01   0.10
   115   1     0.01  -0.01   0.00    -0.01  -0.00   0.02    -0.00  -0.01   0.02
   116   1     0.00  -0.00  -0.01    -0.02  -0.00  -0.03    -0.02   0.00  -0.06
   117   1     0.01  -0.01   0.01     0.03  -0.01   0.08     0.03  -0.02   0.09
   118   1     0.00   0.00  -0.04     0.00   0.01  -0.04    -0.02  -0.03   0.06
   119   1    -0.00  -0.00   0.01     0.01   0.00   0.00     0.00  -0.00  -0.02
   120   1     0.00  -0.01  -0.00     0.01   0.01   0.00     0.00  -0.01   0.01
   121   1     0.00   0.01  -0.04     0.01   0.02  -0.04    -0.00  -0.01   0.07
   122   1     0.00   0.02  -0.01     0.00   0.01   0.01    -0.00   0.01  -0.02
   123   1    -0.00   0.01   0.01    -0.01  -0.00   0.01    -0.00   0.01   0.00
   124   1    -0.01   0.00   0.01    -0.00  -0.01   0.00    -0.01   0.02  -0.02
   125   1     0.01   0.00  -0.01     0.00  -0.01   0.00    -0.00   0.01  -0.02
   126  17    -0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
                     67                     68                     69
                      A                      A                      A
 Frequencies --    433.2934               434.6776               436.2642
 Red. masses --      3.9425                 3.2835                 3.4194
 Frc consts  --      0.4361                 0.3655                 0.3834
 IR Inten    --      2.7656                 0.6226                 0.6177
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.01  -0.01    -0.00   0.01   0.03     0.00  -0.00  -0.01
     2   6     0.02  -0.01  -0.04     0.01   0.01  -0.07     0.00  -0.00   0.02
     3   6    -0.01   0.01   0.06     0.01   0.00   0.07    -0.00  -0.00  -0.01
     4   6     0.00   0.04   0.00     0.01  -0.00   0.02    -0.00  -0.00  -0.03
     5   6     0.02   0.05  -0.05     0.00  -0.01  -0.10     0.00   0.00   0.01
     6   6     0.04   0.03   0.04    -0.00   0.00   0.08     0.00  -0.00   0.02
     7   6    -0.03  -0.01   0.07     0.00  -0.00   0.07     0.00  -0.00   0.01
     8   6    -0.02  -0.02   0.00    -0.00  -0.01   0.03     0.00  -0.00   0.03
     9   6    -0.00   0.01   0.02    -0.00  -0.00   0.03     0.00   0.00   0.01
    10   6     0.01   0.02  -0.00     0.01   0.00   0.04    -0.00   0.00  -0.01
    11   6    -0.04  -0.02  -0.03    -0.00  -0.01  -0.06     0.00   0.00  -0.02
    12   6    -0.02  -0.02   0.02    -0.00  -0.00   0.02     0.00   0.01   0.01
    13   6    -0.02  -0.03   0.10     0.00  -0.01   0.07     0.01   0.00  -0.01
    14   6    -0.02  -0.03  -0.10    -0.00  -0.01  -0.08     0.01  -0.00  -0.01
    15   7     0.01  -0.01   0.03    -0.01   0.00  -0.04    -0.00   0.00  -0.00
    16   6     0.01  -0.03  -0.02    -0.01   0.01  -0.00    -0.00   0.00  -0.02
    17   6     0.02  -0.02  -0.00    -0.00   0.01  -0.01    -0.00   0.00   0.01
    18   7     0.01  -0.01  -0.02     0.01   0.00  -0.02    -0.00   0.00   0.01
    19   6     0.01  -0.02  -0.04     0.00   0.00   0.05     0.00   0.00  -0.01
    20   6     0.01   0.00   0.04    -0.00  -0.01  -0.04    -0.00  -0.00   0.02
    21   6     0.01   0.00   0.02    -0.00  -0.01  -0.02    -0.00  -0.00  -0.01
    22   6     0.02  -0.01   0.03    -0.01  -0.00   0.03    -0.00  -0.00   0.01
    23   6    -0.01   0.01  -0.01    -0.00   0.01  -0.01    -0.00  -0.00  -0.03
    24   6     0.01   0.03  -0.05    -0.00   0.01  -0.01     0.00  -0.00   0.02
    25   6     0.00   0.01  -0.04    -0.00   0.00   0.00     0.00  -0.00  -0.02
    26   6    -0.01   0.03  -0.03    -0.01  -0.01  -0.03     0.00  -0.02  -0.00
    27   6    -0.02  -0.02   0.03    -0.01   0.01   0.03     0.01   0.01  -0.01
    28   6     0.01  -0.05   0.03    -0.01  -0.01   0.01     0.00   0.02  -0.01
    29   6     0.04  -0.04   0.03    -0.00  -0.02  -0.02    -0.01   0.00  -0.03
    30   6     0.05   0.01  -0.02     0.01   0.02   0.02    -0.01  -0.00   0.01
    31   6    -0.03   0.03   0.01     0.02  -0.01  -0.04     0.00   0.01  -0.01
    32   6     0.00  -0.01  -0.01    -0.00   0.01   0.03     0.01   0.00   0.02
    33   6     0.01  -0.04  -0.02     0.00  -0.00   0.02     0.01  -0.01   0.02
    34   6    -0.02  -0.03   0.00     0.01  -0.02  -0.01    -0.00  -0.01   0.03
    35   6    -0.04  -0.00   0.01    -0.01   0.01   0.00    -0.01  -0.00  -0.01
    36   6     0.01   0.01  -0.02     0.00   0.02   0.02     0.01   0.00  -0.01
    37   6    -0.00  -0.02   0.02    -0.00  -0.00  -0.01     0.01  -0.00   0.02
    38   6    -0.02  -0.01   0.04    -0.00  -0.00  -0.02    -0.00  -0.01   0.01
    39   6    -0.03   0.00   0.05     0.00   0.01   0.00    -0.01  -0.00   0.02
    40   6    -0.03   0.00  -0.04     0.00   0.00   0.00    -0.00   0.01  -0.00
    41   7    -0.00  -0.02  -0.01    -0.00   0.00  -0.01    -0.00   0.00  -0.05
    42   7     0.02  -0.00  -0.06    -0.00   0.00  -0.01    -0.00  -0.00   0.04
    43   7    -0.01   0.01  -0.06    -0.00  -0.00   0.00     0.00   0.00  -0.04
    44   6     0.03   0.03  -0.04     0.00   0.01  -0.03    -0.01   0.00  -0.03
    45   6     0.03   0.03  -0.04     0.00   0.01  -0.04     0.00   0.02  -0.10
    46   6     0.01   0.01  -0.06     0.00   0.01  -0.03     0.01   0.03  -0.09
    47   6     0.00   0.00  -0.07     0.00   0.01  -0.02     0.00   0.01  -0.02
    48   6     0.01  -0.01  -0.01    -0.01   0.00  -0.05     0.01  -0.00   0.02
    49   6     0.00  -0.01   0.01    -0.02   0.01  -0.10     0.02  -0.02   0.10
    50   6    -0.02  -0.01   0.03    -0.02   0.02  -0.10     0.02  -0.02   0.11
    51   6    -0.02  -0.00   0.03    -0.01   0.01  -0.05     0.00  -0.01   0.02
    52   6    -0.00   0.01  -0.07    -0.00  -0.01   0.03     0.00  -0.01   0.03
    53   6    -0.00   0.02  -0.07    -0.00  -0.02   0.06    -0.00  -0.03   0.10
    54   6     0.00   0.03  -0.05    -0.01  -0.02   0.06    -0.01  -0.03   0.10
    55   6    -0.00   0.03  -0.04    -0.01  -0.01   0.03    -0.01  -0.01   0.02
    56   6     0.00  -0.05   0.08    -0.00  -0.01   0.04    -0.01  -0.01   0.08
    57   6    -0.01  -0.02  -0.05     0.01   0.01  -0.01     0.00   0.01  -0.00
    58   6    -0.02  -0.04  -0.06     0.01   0.01  -0.02     0.01   0.03  -0.06
    59   6    -0.03  -0.06   0.07     0.00  -0.01   0.04     0.00  -0.01   0.08
    60   6    -0.02   0.04   0.08    -0.00  -0.01   0.04    -0.01  -0.04   0.08
    61   6    -0.01   0.08  -0.02     0.00   0.01  -0.03     0.01   0.00  -0.07
    62   6    -0.01   0.07  -0.02    -0.00   0.00  -0.01     0.00  -0.01  -0.01
    63   6     0.02   0.01   0.08    -0.00  -0.01   0.04    -0.02  -0.03   0.08
    64   6    -0.04   0.01  -0.02     0.02  -0.02   0.10    -0.02   0.02  -0.08
    65   6    -0.02   0.05   0.02    -0.01   0.01  -0.03     0.00   0.00   0.01
    66   6    -0.02   0.06   0.03    -0.02   0.02  -0.07     0.02  -0.01   0.07
    67   6    -0.02   0.06  -0.02     0.02  -0.01   0.11    -0.02   0.02  -0.09
    68   6     0.04  -0.01  -0.02     0.03  -0.03   0.11    -0.02   0.02  -0.09
    69   6     0.05  -0.03  -0.00    -0.01   0.01  -0.07     0.01  -0.02   0.07
    70   6     0.03  -0.02  -0.01    -0.00   0.00  -0.03    -0.00  -0.00   0.01
    71   6     0.01  -0.03  -0.02     0.02  -0.02   0.10    -0.02   0.02  -0.08
    72   6    -0.01   0.01   0.08     0.00   0.02  -0.06     0.01   0.02  -0.08
    73   6     0.03   0.04  -0.02    -0.00  -0.00   0.02    -0.00  -0.00   0.01
    74   6     0.03   0.05  -0.03    -0.00  -0.01   0.05    -0.01  -0.02   0.07
    75   6     0.02   0.00   0.09     0.01   0.02  -0.07     0.01   0.02  -0.09
    76   6    -0.01  -0.05   0.08     0.01   0.02  -0.07     0.01   0.03  -0.09
    77   6     0.00  -0.02  -0.06    -0.00  -0.01   0.04    -0.01  -0.01   0.07
    78   6     0.00  -0.02  -0.05    -0.00  -0.01   0.02    -0.00   0.00   0.01
    79   6    -0.03  -0.04   0.09     0.01   0.01  -0.06     0.01   0.02  -0.08
    80   1     0.02  -0.00   0.05    -0.01   0.01  -0.04    -0.00   0.00   0.00
    81   1     0.01  -0.02  -0.10     0.01   0.02  -0.19     0.00  -0.00   0.06
    82   1     0.02   0.07  -0.10     0.00  -0.02  -0.24     0.00   0.00   0.03
    83   1     0.07   0.04   0.09    -0.01   0.00   0.12     0.01  -0.00   0.04
    84   1    -0.04  -0.02  -0.13    -0.00  -0.00  -0.17     0.00   0.01  -0.07
    85   1    -0.03  -0.03   0.16    -0.00  -0.01   0.11     0.01   0.00  -0.03
    86   1    -0.02  -0.03  -0.23    -0.00  -0.01  -0.20     0.01  -0.00  -0.04
    87   1    -0.01  -0.02  -0.06     0.02   0.01   0.11     0.00   0.00   0.00
    88   1     0.01   0.00   0.07     0.00  -0.02  -0.05     0.00  -0.01   0.04
    89   1     0.04  -0.01   0.02    -0.02  -0.01   0.08    -0.01  -0.00   0.01
    90   1    -0.04   0.06  -0.05    -0.02  -0.02  -0.06     0.01  -0.03  -0.01
    91   1    -0.08  -0.02   0.06    -0.02   0.03   0.05     0.03   0.02  -0.01
    92   1     0.08  -0.07   0.05     0.00  -0.05  -0.03    -0.02   0.01  -0.03
    93   1     0.12   0.04  -0.02     0.03   0.04   0.04    -0.03  -0.00   0.02
    94   1    -0.04   0.05   0.03     0.04  -0.02  -0.07     0.01   0.03  -0.01
    95   1     0.03  -0.01  -0.01     0.00   0.03   0.05     0.03   0.00   0.02
    96   1    -0.03  -0.03   0.02     0.02  -0.04  -0.02    -0.01  -0.03   0.03
    97   1    -0.07  -0.00   0.01    -0.04   0.01   0.01    -0.03  -0.01  -0.01
    98   1     0.04   0.02  -0.02     0.00   0.03   0.04     0.03   0.00  -0.01
    99   1     0.03  -0.06   0.02    -0.01  -0.01  -0.02     0.02  -0.02   0.03
   100   1    -0.07   0.01   0.08     0.01   0.01   0.01    -0.02  -0.01   0.02
   101   1    -0.07   0.01  -0.07     0.00  -0.00   0.01    -0.01   0.02  -0.00
   102   1    -0.01  -0.10   0.23    -0.01  -0.02   0.10    -0.02  -0.05   0.21
   103   1    -0.02  -0.00  -0.05     0.01   0.00  -0.01     0.01  -0.00   0.03
   104   1    -0.01  -0.04  -0.06     0.01   0.02  -0.04     0.02   0.05  -0.11
   105   1    -0.05  -0.10   0.22    -0.00  -0.02   0.10    -0.01  -0.05   0.20
   106   1    -0.03   0.03   0.19    -0.01  -0.03   0.11    -0.02  -0.09   0.21
   107   1    -0.00   0.08  -0.03     0.00   0.01  -0.04     0.01   0.01  -0.12
   108   1    -0.04   0.05  -0.03    -0.00   0.00  -0.01     0.01  -0.02   0.02
   109   1     0.01  -0.03   0.18    -0.01  -0.04   0.12    -0.03  -0.07   0.23
   110   1    -0.05   0.02  -0.08     0.05  -0.05   0.28    -0.05   0.04  -0.23
   111   1     0.01   0.05   0.01     0.00   0.01  -0.01    -0.00   0.01  -0.03
   112   1    -0.02   0.05   0.04    -0.03   0.03  -0.11     0.03  -0.02   0.12
   113   1    -0.05   0.09  -0.07     0.06  -0.04   0.27    -0.05   0.05  -0.22
   114   1     0.04  -0.01  -0.03     0.07  -0.06   0.26    -0.05   0.05  -0.22
   115   1     0.05  -0.04   0.01    -0.02   0.02  -0.11     0.02  -0.02   0.12
   116   1     0.03   0.00  -0.01     0.00   0.00  -0.01    -0.01   0.00  -0.03
   117   1     0.01  -0.03  -0.03     0.06  -0.06   0.28    -0.05   0.04  -0.23
   118   1    -0.02  -0.03   0.20     0.01   0.05  -0.18     0.02   0.06  -0.23
   119   1     0.04   0.02  -0.03     0.00  -0.00   0.00     0.00   0.01  -0.03
   120   1     0.03   0.05  -0.05    -0.00  -0.02   0.07    -0.01  -0.04   0.12
   121   1     0.02  -0.02   0.20     0.02   0.05  -0.17     0.02   0.06  -0.22
   122   1    -0.02  -0.10   0.23     0.02   0.05  -0.16     0.02   0.07  -0.22
   123   1    -0.00  -0.02  -0.07    -0.01  -0.02   0.07    -0.01  -0.03   0.12
   124   1     0.02  -0.01  -0.04    -0.00  -0.00   0.00    -0.00   0.01  -0.02
   125   1    -0.04  -0.08   0.25     0.01   0.04  -0.17     0.02   0.06  -0.24
   126  17     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
                     70                     71                     72
                      A                      A                      A
 Frequencies --    437.1059               437.5880               438.7790
 Red. masses --      3.6821                 5.7823                 4.6237
 Frc consts  --      0.4145                 0.6524                 0.5245
 IR Inten    --      3.6946                 5.1987                 2.2125
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.01   0.01     0.01   0.04   0.01     0.01   0.02  -0.01
     2   6     0.00   0.01  -0.05    -0.01   0.03  -0.01    -0.00   0.02   0.04
     3   6     0.00   0.01   0.07    -0.00   0.02   0.01    -0.01   0.02  -0.07
     4   6     0.01   0.01   0.01     0.00   0.06   0.01    -0.00   0.02   0.01
     5   6     0.00   0.01  -0.08     0.02   0.08  -0.02     0.00   0.03   0.09
     6   6     0.00   0.01   0.07     0.03   0.09   0.00     0.01   0.03  -0.10
     7   6    -0.01   0.00   0.08    -0.00  -0.01   0.00    -0.02   0.02  -0.08
     8   6    -0.01  -0.00   0.00     0.02  -0.05  -0.01    -0.00   0.00  -0.04
     9   6    -0.00  -0.01   0.01     0.01  -0.01  -0.00     0.00  -0.02  -0.02
    10   6     0.01  -0.01   0.01     0.02   0.01   0.01     0.02  -0.02  -0.01
    11   6    -0.01  -0.00  -0.04     0.00  -0.02  -0.00    -0.02   0.01   0.07
    12   6    -0.01   0.00   0.01     0.02  -0.02  -0.00    -0.02   0.00  -0.01
    13   6    -0.01  -0.00   0.09     0.06  -0.05   0.01    -0.02  -0.00  -0.06
    14   6    -0.01  -0.01  -0.08     0.05  -0.06   0.00    -0.02   0.00   0.08
    15   7    -0.00  -0.01   0.00    -0.01   0.00  -0.01     0.01  -0.03   0.03
    16   6     0.00  -0.01  -0.01    -0.03  -0.01   0.01     0.01  -0.03   0.01
    17   6     0.01  -0.01  -0.01    -0.01  -0.01  -0.01     0.02  -0.03   0.01
    18   7     0.01  -0.01  -0.01     0.01  -0.02  -0.00     0.02  -0.03  -0.00
    19   6    -0.01   0.00   0.00    -0.04  -0.00   0.01    -0.03   0.00  -0.04
    20   6     0.00   0.02   0.00    -0.04   0.01  -0.01    -0.01   0.06   0.02
    21   6     0.01   0.01   0.00    -0.02   0.01  -0.00     0.01   0.06   0.03
    22   6     0.01   0.01   0.02    -0.01   0.00  -0.01     0.04   0.03  -0.02
    23   6     0.00   0.00  -0.02     0.01   0.01   0.00     0.02   0.00   0.04
    24   6    -0.01   0.01  -0.05     0.01  -0.01  -0.00    -0.02   0.00   0.01
    25   6    -0.00  -0.01  -0.01    -0.01  -0.01   0.01    -0.01  -0.03  -0.01
    26   6    -0.02   0.01  -0.03    -0.01  -0.03  -0.02     0.01   0.02   0.03
    27   6    -0.02   0.00   0.05    -0.00   0.01   0.04     0.00  -0.02  -0.04
    28   6     0.00  -0.02   0.04    -0.02   0.01   0.01     0.02  -0.00  -0.01
    29   6     0.01  -0.02   0.04    -0.02  -0.01  -0.02     0.00   0.02   0.02
    30   6     0.02   0.01  -0.01    -0.00   0.02   0.02    -0.02  -0.03  -0.02
    31   6     0.01   0.00  -0.02    -0.02   0.02   0.02    -0.02  -0.00   0.05
    32   6     0.00   0.01   0.03    -0.00  -0.02  -0.03    -0.01  -0.02  -0.06
    33   6     0.00  -0.01   0.02    -0.03  -0.02   0.00    -0.03   0.01  -0.03
    34   6     0.00  -0.01   0.02    -0.02   0.00   0.04    -0.01   0.03  -0.01
    35   6    -0.01  -0.00  -0.00     0.02  -0.03  -0.02     0.04  -0.01  -0.00
    36   6    -0.00  -0.01  -0.01    -0.01  -0.03  -0.01    -0.03  -0.05  -0.04
    37   6    -0.00   0.00   0.02     0.00   0.01   0.01    -0.01   0.02   0.04
    38   6     0.00   0.01   0.02     0.02   0.01  -0.00     0.01   0.04   0.06
    39   6     0.00   0.00   0.02     0.01  -0.01  -0.03     0.02   0.00   0.03
    40   6    -0.01  -0.02  -0.01     0.01  -0.00   0.01    -0.01  -0.05  -0.03
    41   7    -0.01  -0.00  -0.04    -0.03  -0.02  -0.00    -0.01  -0.02   0.06
    42   7     0.01   0.01  -0.08    -0.03   0.01  -0.01     0.02  -0.01   0.02
    43   7     0.00   0.01  -0.03     0.02  -0.00   0.02     0.01   0.02  -0.04
    44   6     0.02   0.00   0.03    -0.04  -0.03  -0.05     0.04   0.03   0.05
    45   6     0.01  -0.03   0.14    -0.04  -0.01  -0.02     0.04   0.01   0.01
    46   6    -0.00  -0.04   0.12    -0.03   0.02   0.04     0.04  -0.02  -0.04
    47   6    -0.00  -0.02   0.00    -0.02   0.04   0.05     0.02  -0.04  -0.05
    48   6     0.00  -0.01   0.00     0.01  -0.06  -0.06     0.00  -0.04  -0.03
    49   6     0.01  -0.02   0.06    -0.02  -0.05  -0.03    -0.02  -0.02  -0.08
    50   6     0.00  -0.01   0.07    -0.05  -0.02   0.05    -0.04  -0.00  -0.04
    51   6    -0.01  -0.00   0.02    -0.06   0.01   0.06    -0.03   0.01   0.04
    52   6    -0.01  -0.01   0.01     0.03   0.02   0.04    -0.01   0.00   0.01
    53   6    -0.01  -0.02   0.06     0.03   0.01   0.00    -0.01  -0.02   0.08
    54   6    -0.01  -0.02   0.07     0.03  -0.02  -0.04     0.00  -0.03   0.07
    55   6    -0.00  -0.00   0.02     0.02  -0.03  -0.04     0.01  -0.01   0.00
    56   6     0.02   0.00  -0.09    -0.03   0.08  -0.02     0.03  -0.07   0.02
    57   6    -0.01  -0.02  -0.01     0.05   0.07   0.04    -0.04  -0.07  -0.03
    58   6    -0.03  -0.06   0.08     0.07   0.11   0.05    -0.07  -0.10  -0.05
    59   6    -0.01   0.00  -0.11     0.07   0.10  -0.00    -0.06  -0.09   0.00
    60   6     0.01   0.07  -0.10     0.01  -0.12  -0.02    -0.01   0.11   0.02
    61   6    -0.02   0.02   0.11     0.01  -0.13  -0.04    -0.01   0.12   0.03
    62   6    -0.00   0.04   0.01     0.01  -0.09  -0.04    -0.00   0.08   0.04
    63   6     0.03   0.05  -0.09    -0.07  -0.05  -0.00     0.06   0.04   0.00
    64   6    -0.03   0.01  -0.05    -0.11   0.02  -0.01    -0.05  -0.00   0.02
    65   6    -0.01   0.02   0.01    -0.05   0.10   0.05    -0.02   0.05   0.04
    66   6    -0.00   0.02   0.05    -0.07   0.15   0.06    -0.05   0.08  -0.01
    67   6    -0.02   0.03  -0.05    -0.06   0.14   0.00    -0.03   0.06   0.04
    68   6     0.01  -0.00  -0.06     0.14  -0.06  -0.02     0.09  -0.04   0.03
    69   6     0.03  -0.02   0.04     0.15  -0.07  -0.05     0.08  -0.03  -0.07
    70   6     0.02  -0.01  -0.01     0.10  -0.05  -0.05     0.06  -0.03  -0.02
    71   6    -0.01  -0.01  -0.05     0.01  -0.11   0.00     0.01  -0.07   0.04
    72   6     0.00   0.02  -0.05     0.02  -0.06   0.02     0.01   0.00  -0.05
    73   6     0.00   0.00   0.01    -0.04  -0.05  -0.03    -0.02  -0.01  -0.01
    74   6    -0.00  -0.01   0.05    -0.06  -0.07  -0.05    -0.03  -0.03   0.04
    75   6     0.01   0.02  -0.06    -0.05  -0.07   0.01    -0.01  -0.00  -0.06
    76   6     0.01   0.00  -0.06    -0.01   0.08   0.02     0.00   0.02  -0.06
    77   6    -0.00  -0.02   0.04    -0.00   0.09   0.02     0.00  -0.00   0.06
    78   6     0.00  -0.01   0.00     0.00   0.06   0.03     0.01   0.01   0.00
    79   6    -0.00   0.01  -0.05     0.05   0.03   0.01     0.01   0.02  -0.05
    80   1    -0.00  -0.02   0.01    -0.01   0.01  -0.01     0.00  -0.05   0.02
    81   1     0.00   0.01  -0.15    -0.01   0.03  -0.04    -0.00   0.01   0.13
    82   1     0.00   0.00  -0.17     0.02   0.09  -0.05     0.00   0.04   0.19
    83   1     0.01   0.01   0.12     0.05   0.09   0.00     0.01   0.03  -0.17
    84   1    -0.01  -0.00  -0.13    -0.00  -0.02   0.00    -0.02   0.00   0.19
    85   1    -0.01  -0.00   0.14     0.08  -0.04   0.02    -0.01   0.00  -0.09
    86   1    -0.01  -0.01  -0.19     0.06  -0.06   0.01    -0.02   0.01   0.20
    87   1    -0.02  -0.00   0.01    -0.06  -0.00   0.02    -0.08  -0.01  -0.09
    88   1    -0.01   0.02  -0.00    -0.05   0.02  -0.03    -0.03   0.09   0.01
    89   1     0.03   0.01   0.03    -0.00   0.00  -0.00     0.09   0.04  -0.07
    90   1    -0.04   0.02  -0.05    -0.03  -0.04  -0.05     0.03   0.04   0.07
    91   1    -0.06  -0.01   0.06     0.01   0.04   0.06    -0.01  -0.04  -0.07
    92   1     0.03  -0.05   0.04    -0.01  -0.04  -0.05    -0.01   0.06   0.05
    93   1     0.07   0.02  -0.02    -0.01   0.03   0.04    -0.02  -0.05  -0.05
    94   1     0.02   0.00  -0.04    -0.04   0.02   0.05    -0.05  -0.03   0.09
    95   1     0.02   0.02   0.04     0.04  -0.03  -0.06    -0.03  -0.04  -0.10
    96   1     0.01  -0.03   0.01    -0.03   0.04   0.06    -0.01   0.10   0.01
    97   1    -0.04  -0.00  -0.00     0.02  -0.05  -0.06     0.08  -0.02  -0.02
    98   1    -0.01  -0.02  -0.02    -0.02  -0.04  -0.03    -0.05  -0.09  -0.08
    99   1    -0.00  -0.01   0.01    -0.01   0.04   0.02    -0.02   0.02   0.03
   100   1    -0.00   0.00   0.02     0.02  -0.02  -0.04     0.02  -0.01   0.01
   101   1    -0.01  -0.03  -0.03     0.03  -0.01   0.03    -0.00  -0.09  -0.06
   102   1     0.03   0.05  -0.26    -0.03   0.09  -0.10     0.03  -0.08   0.10
   103   1    -0.02   0.01  -0.06     0.09   0.02   0.01    -0.08  -0.01  -0.01
   104   1    -0.03  -0.08   0.15     0.07   0.11   0.04    -0.07  -0.10  -0.05
   105   1    -0.00   0.04  -0.25     0.09   0.15  -0.07    -0.09  -0.15   0.07
   106   1     0.02   0.14  -0.26     0.01  -0.17   0.02    -0.00   0.15  -0.02
   107   1    -0.02   0.00   0.17     0.00  -0.14  -0.01    -0.00   0.13   0.00
   108   1    -0.02   0.04  -0.05     0.07  -0.06  -0.02    -0.06   0.05   0.02
   109   1     0.05   0.09  -0.29    -0.07  -0.05   0.05     0.06   0.04  -0.04
   110   1    -0.05   0.03  -0.14    -0.12   0.02  -0.11    -0.04  -0.01   0.04
   111   1     0.00   0.02  -0.02     0.03   0.11   0.02     0.03   0.04   0.05
   112   1     0.00   0.01   0.09    -0.08   0.15   0.04    -0.06   0.09  -0.06
   113   1    -0.05   0.06  -0.13    -0.11   0.20  -0.07    -0.04   0.08   0.05
   114   1     0.00   0.01  -0.12     0.19  -0.10   0.04     0.14  -0.08   0.12
   115   1     0.04  -0.03   0.07     0.15  -0.08  -0.03     0.07  -0.03  -0.10
   116   1     0.01   0.01  -0.03     0.11   0.04  -0.03     0.07   0.02   0.03
   117   1    -0.03   0.01  -0.12     0.01  -0.11   0.08     0.02  -0.08   0.16
   118   1     0.01   0.05  -0.15     0.02  -0.07   0.09     0.03   0.04  -0.14
   119   1     0.00   0.01  -0.02    -0.07  -0.01  -0.00    -0.02   0.01  -0.03
   120   1    -0.01  -0.01   0.08    -0.05  -0.07  -0.04    -0.03  -0.04   0.09
   121   1     0.02   0.04  -0.14    -0.08  -0.12   0.06    -0.01   0.00  -0.14
   122   1     0.01   0.02  -0.13    -0.00   0.11  -0.00     0.01   0.04  -0.15
   123   1    -0.00  -0.03   0.08     0.00   0.10  -0.01     0.00  -0.01   0.09
   124   1     0.01   0.00  -0.02    -0.04   0.04   0.02     0.01   0.01  -0.03
   125   1     0.01   0.04  -0.14     0.05   0.03  -0.02     0.02   0.06  -0.16
   126  17     0.00   0.00  -0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
                     73                     74                     75
                      A                      A                      A
 Frequencies --    442.3042               445.5236               458.7890
 Red. masses --      5.1485                 5.3264                 3.6763
 Frc consts  --      0.5934                 0.6229                 0.4559
 IR Inten    --      9.0581                 4.4875                 2.0903
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.03   0.04     0.01  -0.03  -0.04    -0.01   0.02   0.02
     2   6     0.00   0.04  -0.03     0.00  -0.04   0.00     0.02   0.03  -0.03
     3   6     0.03   0.01   0.05    -0.02  -0.01  -0.01     0.04   0.03   0.04
     4   6     0.03  -0.02   0.02    -0.02   0.05  -0.01     0.03   0.01   0.05
     5   6    -0.01  -0.03  -0.09     0.01   0.07   0.05     0.00   0.00  -0.03
     6   6    -0.04   0.01   0.07     0.04   0.03  -0.04    -0.01   0.02   0.01
     7   6     0.03   0.01   0.02    -0.01  -0.02   0.02     0.02   0.02  -0.01
     8   6     0.02   0.01   0.01     0.01  -0.02  -0.02    -0.02   0.06  -0.06
     9   6     0.02  -0.01  -0.01     0.04   0.04   0.01    -0.02   0.01  -0.03
    10   6     0.03  -0.01   0.03    -0.00   0.04  -0.03     0.01   0.00   0.01
    11   6     0.01  -0.01  -0.03    -0.01  -0.04   0.02    -0.00  -0.05   0.03
    12   6    -0.03  -0.02  -0.02    -0.01  -0.03   0.02    -0.02  -0.06  -0.04
    13   6    -0.03  -0.02  -0.01    -0.00  -0.05   0.05    -0.08  -0.02   0.00
    14   6    -0.02   0.01   0.01    -0.00  -0.04  -0.04    -0.07   0.06   0.02
    15   7     0.02  -0.00  -0.06     0.06   0.02   0.06     0.00  -0.02   0.02
    16   6     0.01   0.00   0.03     0.05  -0.02  -0.03    -0.01  -0.05   0.03
    17   6     0.01   0.00  -0.01     0.01  -0.04   0.01     0.02  -0.04  -0.00
    18   7     0.03  -0.01   0.01    -0.02  -0.00  -0.02     0.01  -0.03  -0.01
    19   6     0.00   0.02   0.09     0.04  -0.02  -0.09    -0.05  -0.02  -0.02
    20   6    -0.01   0.01  -0.10     0.02  -0.02   0.09    -0.03   0.05  -0.00
    21   6    -0.02   0.01  -0.04    -0.03  -0.01   0.04     0.01   0.05   0.03
    22   6    -0.01  -0.00  -0.03    -0.00  -0.05   0.04     0.04   0.02  -0.01
    23   6     0.01  -0.01  -0.03    -0.03  -0.01   0.02    -0.00  -0.01   0.01
    24   6    -0.03   0.02   0.02     0.01   0.02  -0.04     0.03   0.01  -0.02
    25   6    -0.04  -0.01   0.07    -0.04   0.05  -0.07     0.00  -0.01   0.01
    26   6    -0.01   0.03   0.03    -0.01   0.03  -0.02     0.04   0.06   0.04
    27   6    -0.02   0.01  -0.04    -0.02  -0.01   0.03     0.02  -0.02  -0.03
    28   6    -0.01  -0.01  -0.05    -0.01  -0.04   0.02     0.02  -0.06  -0.06
    29   6    -0.02   0.00  -0.02     0.02  -0.03   0.02     0.06  -0.01  -0.00
    30   6    -0.03   0.02   0.03     0.04   0.03  -0.02     0.07   0.03   0.02
    31   6     0.03  -0.03  -0.05    -0.05  -0.00   0.05    -0.01  -0.03  -0.01
    32   6    -0.00   0.00   0.05    -0.02  -0.03  -0.03    -0.02  -0.03  -0.00
    33   6    -0.02   0.02   0.07     0.01  -0.03  -0.07    -0.03   0.00   0.03
    34   6     0.00  -0.00   0.04    -0.03  -0.02  -0.04    -0.02  -0.01   0.02
    35   6     0.02  -0.02  -0.03    -0.05   0.00   0.04     0.01  -0.03  -0.02
    36   6    -0.07  -0.01   0.05    -0.02   0.04  -0.04    -0.01  -0.04  -0.03
    37   6    -0.06   0.03  -0.05    -0.03  -0.02   0.06    -0.00   0.01   0.02
    38   6     0.01   0.03  -0.06    -0.04  -0.04   0.05     0.02   0.04   0.05
    39   6     0.01   0.02  -0.07    -0.10   0.01   0.04     0.02  -0.00   0.01
    40   6    -0.00  -0.01   0.04    -0.08   0.07  -0.04     0.01  -0.04  -0.02
    41   7    -0.02   0.02  -0.06     0.02  -0.01   0.05    -0.01   0.00  -0.01
    42   7     0.01  -0.02   0.05    -0.00  -0.00  -0.05     0.00  -0.03   0.02
    43   7     0.01  -0.02   0.10     0.01   0.00  -0.09     0.01   0.02  -0.02
    44   6     0.04   0.02   0.05     0.01  -0.00  -0.02     0.01   0.02  -0.11
    45   6     0.05   0.01  -0.01     0.00  -0.00   0.02     0.00   0.03  -0.08
    46   6     0.04  -0.01  -0.06    -0.01   0.00   0.03    -0.03   0.00   0.06
    47   6     0.02  -0.04  -0.03    -0.01   0.01  -0.01    -0.03  -0.01   0.12
    48   6    -0.01  -0.00  -0.01     0.01   0.05   0.05     0.02  -0.02   0.10
    49   6     0.01  -0.01   0.05     0.02   0.05  -0.02     0.02  -0.01   0.07
    50   6     0.02  -0.01   0.05     0.02   0.03  -0.06    -0.00   0.02  -0.06
    51   6     0.01   0.01  -0.02     0.04  -0.01  -0.02    -0.01   0.02  -0.11
    52   6     0.04   0.03   0.08     0.07   0.04   0.04    -0.01   0.01  -0.04
    53   6     0.06   0.01  -0.04     0.08  -0.01   0.08    -0.01  -0.00  -0.01
    54   6     0.06  -0.02  -0.10     0.06  -0.04   0.01    -0.00  -0.02   0.03
    55   6     0.03  -0.06  -0.03     0.03  -0.05  -0.09     0.01  -0.01   0.02
    56   6     0.03  -0.06   0.02    -0.00   0.01  -0.00    -0.02   0.02  -0.07
    57   6    -0.03  -0.05  -0.02     0.01   0.01  -0.01     0.00  -0.02   0.05
    58   6    -0.05  -0.07  -0.06     0.01   0.00   0.02     0.01   0.01   0.01
    59   6    -0.05  -0.08   0.01     0.01   0.01  -0.01     0.00   0.05  -0.05
    60   6    -0.00   0.09   0.03    -0.00  -0.00  -0.01    -0.02  -0.02   0.07
    61   6    -0.01   0.11   0.01    -0.01  -0.01   0.01    -0.01   0.01  -0.02
    62   6    -0.01   0.05   0.04    -0.00   0.01  -0.01    -0.01   0.03  -0.04
    63   6     0.06   0.02   0.01    -0.00   0.00  -0.00    -0.01  -0.01   0.07
    64   6     0.00   0.01  -0.02     0.05   0.01   0.02     0.01   0.00   0.06
    65   6    -0.00  -0.01  -0.02     0.03  -0.04  -0.01    -0.02   0.01  -0.04
    66   6     0.01  -0.02   0.03     0.03  -0.06  -0.05    -0.00   0.00  -0.01
    67   6     0.00  -0.01  -0.03     0.05  -0.07   0.01     0.02  -0.01   0.05
    68   6    -0.01   0.01  -0.03    -0.07   0.05   0.03    -0.01   0.02  -0.06
    69   6     0.00  -0.00   0.04    -0.08   0.04   0.00     0.01  -0.00   0.01
    70   6    -0.00   0.01  -0.01    -0.04   0.01   0.04     0.02  -0.01   0.03
    71   6    -0.01   0.01  -0.02     0.02   0.05   0.00    -0.00   0.01  -0.06
    72   6     0.04  -0.08   0.04     0.06  -0.06   0.01     0.00   0.00  -0.02
    73   6    -0.05  -0.07  -0.01    -0.03  -0.05  -0.06    -0.01  -0.00   0.01
    74   6    -0.08  -0.09  -0.09    -0.07  -0.12  -0.01    -0.01  -0.00   0.01
    75   6    -0.07  -0.12   0.02    -0.06  -0.11  -0.03    -0.00   0.00  -0.02
    76   6     0.00   0.11   0.04     0.01   0.15  -0.01    -0.01  -0.01   0.01
    77   6     0.01   0.14  -0.01    -0.02   0.14   0.08     0.01  -0.01   0.00
    78   6     0.00   0.06   0.06    -0.01   0.09   0.02     0.01   0.00  -0.02
    79   6     0.07   0.02   0.01     0.09   0.03  -0.02    -0.01  -0.00   0.02
    80   1     0.01  -0.01  -0.08     0.08   0.04   0.09     0.01  -0.03   0.01
    81   1     0.01   0.06  -0.15    -0.00  -0.05   0.06     0.02   0.05  -0.13
    82   1    -0.02  -0.07  -0.21     0.01   0.10   0.12    -0.00  -0.02  -0.11
    83   1    -0.07  -0.00   0.08     0.10   0.04  -0.03    -0.02   0.02  -0.03
    84   1     0.03  -0.03  -0.03    -0.00  -0.05  -0.01     0.02  -0.08   0.12
    85   1    -0.04  -0.02   0.01    -0.01  -0.05   0.07    -0.16  -0.04   0.07
    86   1    -0.04   0.03   0.03    -0.01  -0.03  -0.10    -0.10   0.09   0.10
    87   1    -0.01   0.02   0.16     0.03  -0.02  -0.15    -0.11  -0.03  -0.06
    88   1     0.00   0.00  -0.16     0.05  -0.05   0.15    -0.06   0.08  -0.05
    89   1     0.00   0.00   0.03     0.02  -0.05  -0.01     0.09   0.03  -0.05
    90   1     0.00   0.04   0.06    -0.04   0.06  -0.03     0.05   0.12   0.10
    91   1    -0.02   0.01  -0.03    -0.07  -0.01   0.05     0.01  -0.01  -0.01
    92   1    -0.04   0.04  -0.02     0.06  -0.06   0.03     0.08   0.00   0.04
    93   1    -0.03   0.04   0.05     0.08   0.04  -0.02     0.10   0.07   0.06
    94   1     0.06  -0.04  -0.10    -0.07   0.01   0.08    -0.01  -0.05  -0.02
    95   1     0.02   0.00   0.05    -0.06  -0.03  -0.03    -0.02  -0.04  -0.02
    96   1     0.01  -0.03   0.02    -0.04  -0.01  -0.03    -0.01  -0.01   0.01
    97   1     0.02  -0.05  -0.06    -0.06   0.03   0.07     0.02  -0.05  -0.05
    98   1    -0.12  -0.01   0.07     0.05   0.05  -0.06    -0.04  -0.08  -0.06
    99   1    -0.12   0.10  -0.06     0.01  -0.05   0.08    -0.01   0.00  -0.00
   100   1     0.06   0.03  -0.08    -0.20  -0.01   0.06     0.03  -0.02  -0.01
   101   1     0.05  -0.05   0.07    -0.13   0.12  -0.06     0.01  -0.08  -0.05
   102   1     0.03  -0.07   0.11    -0.01   0.00  -0.02    -0.01   0.04  -0.25
   103   1    -0.06  -0.01   0.02     0.02   0.01  -0.03     0.01  -0.03   0.03
   104   1    -0.05  -0.07  -0.07     0.01  -0.00   0.04     0.04   0.03  -0.06
   105   1    -0.07  -0.13   0.08     0.02   0.03  -0.01     0.03   0.12  -0.21
   106   1     0.00   0.13   0.02    -0.00   0.01  -0.00    -0.04  -0.07   0.24
   107   1    -0.01   0.12  -0.03    -0.01  -0.02   0.04    -0.01  -0.01   0.02
   108   1    -0.06   0.02   0.04    -0.00   0.01  -0.03    -0.01   0.02  -0.00
   109   1     0.06   0.00  -0.01    -0.00  -0.00  -0.01    -0.03  -0.07   0.26
   110   1    -0.01   0.02  -0.06     0.06   0.00   0.10     0.04  -0.02   0.23
   111   1    -0.02  -0.00  -0.04    -0.02  -0.04   0.03    -0.02   0.01  -0.02
   112   1     0.02  -0.03   0.07     0.03  -0.07  -0.07     0.00  -0.02   0.05
   113   1     0.00  -0.01  -0.06     0.07  -0.10   0.07     0.06  -0.05   0.20
   114   1    -0.02   0.01  -0.07    -0.11   0.07   0.01    -0.04   0.05  -0.22
   115   1     0.01  -0.01   0.07    -0.10   0.04  -0.04    -0.00   0.00  -0.03
   116   1    -0.01   0.01  -0.04    -0.04  -0.05   0.04     0.02  -0.00   0.01
   117   1    -0.02   0.02  -0.08     0.03   0.04  -0.02    -0.04   0.04  -0.23
   118   1     0.05  -0.09   0.17     0.06  -0.06   0.07     0.01   0.02  -0.07
   119   1    -0.10  -0.02   0.05    -0.07   0.03  -0.07    -0.01   0.00  -0.01
   120   1    -0.08  -0.09  -0.13    -0.10  -0.14   0.05    -0.01  -0.00   0.00
   121   1    -0.11  -0.19   0.11    -0.08  -0.16   0.02    -0.01   0.01  -0.07
   122   1     0.01   0.15   0.03     0.02   0.24  -0.08    -0.01  -0.04   0.05
   123   1     0.00   0.16  -0.07    -0.03   0.14   0.10     0.01  -0.02   0.03
   124   1    -0.07   0.02   0.08    -0.09   0.06  -0.05     0.01   0.01  -0.02
   125   1     0.07   0.01  -0.00     0.10   0.02  -0.14    -0.01   0.00   0.07
   126  17     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
                     76                     77                     78
                      A                      A                      A
 Frequencies --    459.2870               459.7017               460.0527
 Red. masses --      3.2949                 3.2732                 3.8861
 Frc consts  --      0.4095                 0.4075                 0.4846
 IR Inten    --     17.1725                 6.0552                12.7629
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.00  -0.01     0.00  -0.00  -0.00    -0.02   0.02   0.02
     2   6    -0.00  -0.01   0.01    -0.00  -0.00   0.00     0.02   0.03  -0.03
     3   6    -0.01  -0.00  -0.01    -0.00  -0.00  -0.00     0.04   0.02   0.04
     4   6    -0.01   0.01  -0.02    -0.00  -0.01  -0.00     0.03   0.00   0.05
     5   6     0.01   0.02   0.01    -0.00  -0.01   0.00     0.00  -0.01  -0.03
     6   6     0.01   0.01   0.00    -0.00  -0.01  -0.00    -0.02   0.01   0.00
     7   6    -0.01  -0.01   0.00    -0.00  -0.00   0.00     0.02   0.02  -0.01
     8   6     0.01  -0.02   0.02    -0.00  -0.00   0.00    -0.02   0.06  -0.06
     9   6     0.00  -0.01   0.01    -0.00  -0.00   0.00    -0.02   0.02  -0.02
    10   6     0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.01   0.00   0.01
    11   6    -0.00   0.02  -0.01    -0.00   0.01  -0.00     0.00  -0.05   0.03
    12   6     0.01   0.02   0.01     0.00   0.01   0.00    -0.02  -0.06  -0.04
    13   6     0.04   0.01  -0.01     0.00   0.01  -0.00    -0.08  -0.02   0.01
    14   6     0.03  -0.03  -0.00     0.00   0.00  -0.00    -0.07   0.06   0.02
    15   7    -0.00   0.00  -0.01    -0.00  -0.00  -0.00     0.00  -0.02   0.02
    16   6    -0.00   0.01  -0.01     0.00   0.00  -0.00    -0.01  -0.04   0.02
    17   6    -0.01   0.01   0.00     0.00   0.00   0.00     0.02  -0.03  -0.00
    18   7     0.00   0.00   0.01    -0.00   0.00   0.00     0.01  -0.02  -0.02
    19   6     0.00   0.00   0.01     0.00   0.00   0.00    -0.04  -0.02  -0.02
    20   6     0.00  -0.01  -0.00     0.00  -0.00  -0.00    -0.03   0.04   0.00
    21   6    -0.00  -0.01  -0.01     0.00  -0.00  -0.00     0.01   0.04   0.03
    22   6    -0.01  -0.00  -0.00    -0.00   0.00  -0.00     0.03   0.01  -0.01
    23   6    -0.00   0.00  -0.01     0.00   0.00  -0.00    -0.00  -0.01   0.01
    24   6    -0.01  -0.01   0.01    -0.00  -0.00   0.00     0.03   0.01  -0.02
    25   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.01   0.01
    26   6    -0.01  -0.03  -0.02     0.00  -0.00   0.00     0.04   0.05   0.02
    27   6    -0.00   0.01   0.02     0.00  -0.00  -0.01     0.02  -0.00  -0.00
    28   6    -0.01   0.02   0.02     0.00   0.00   0.00     0.01  -0.06  -0.06
    29   6    -0.02   0.00  -0.01    -0.00   0.01   0.01     0.05  -0.03  -0.03
    30   6    -0.02  -0.01  -0.00    -0.00  -0.01  -0.01     0.07   0.05   0.04
    31   6    -0.01   0.02   0.02     0.00   0.00   0.00     0.00  -0.04  -0.02
    32   6     0.01  -0.01  -0.02     0.00   0.00  -0.00    -0.02  -0.01   0.01
    33   6     0.01  -0.01  -0.01     0.00   0.00  -0.00    -0.03   0.01   0.03
    34   6    -0.01   0.01   0.02     0.00   0.00  -0.00    -0.01  -0.01   0.00
    35   6    -0.00  -0.00  -0.01     0.00   0.00   0.00     0.01  -0.03  -0.01
    36   6     0.00   0.01   0.01     0.01   0.01   0.02    -0.00  -0.03  -0.02
    37   6     0.00  -0.00  -0.01    -0.00  -0.01  -0.03     0.00  -0.00   0.01
    38   6    -0.00  -0.01  -0.01    -0.00  -0.00  -0.00     0.01   0.03   0.05
    39   6     0.00   0.00  -0.00     0.01   0.01   0.02     0.02   0.00   0.02
    40   6     0.00   0.00   0.01    -0.00  -0.01  -0.01     0.00  -0.04  -0.03
    41   7    -0.00  -0.01   0.00     0.00   0.00   0.00    -0.01   0.01  -0.01
    42   7    -0.00   0.01  -0.00     0.00   0.00  -0.00    -0.01  -0.02   0.02
    43   7    -0.00  -0.00   0.01    -0.01   0.00   0.00     0.00   0.02  -0.02
    44   6    -0.01  -0.02   0.08     0.01   0.02  -0.06    -0.03  -0.07   0.13
    45   6    -0.01  -0.02   0.06     0.01   0.01  -0.04    -0.03  -0.01   0.08
    46   6     0.01   0.01  -0.05     0.00  -0.02   0.04    -0.04   0.06  -0.09
    47   6     0.01   0.02  -0.09    -0.00  -0.02   0.06    -0.02   0.08  -0.12
    48   6     0.04  -0.05   0.16     0.00  -0.00  -0.00    -0.02   0.02  -0.04
    49   6     0.02  -0.03   0.11    -0.00  -0.00  -0.00     0.00   0.01  -0.02
    50   6    -0.04   0.01  -0.11    -0.00  -0.00   0.00     0.03   0.00   0.03
    51   6    -0.06   0.03  -0.16    -0.00  -0.00   0.00     0.03  -0.00   0.03
    52   6    -0.00  -0.01   0.03    -0.03  -0.06   0.18    -0.02  -0.02   0.04
    53   6    -0.00  -0.00   0.01    -0.03  -0.03   0.12    -0.02  -0.01   0.04
    54   6    -0.00   0.01  -0.02    -0.00   0.04  -0.12    -0.00   0.01  -0.02
    55   6    -0.00   0.01  -0.02     0.01   0.07  -0.18     0.01   0.02  -0.06
    56   6    -0.00  -0.01   0.05     0.01   0.00  -0.04    -0.05   0.01   0.09
    57   6     0.01   0.02  -0.03    -0.01  -0.02   0.02     0.04   0.04  -0.04
    58   6     0.00   0.01  -0.00    -0.01  -0.02   0.00     0.05   0.07  -0.00
    59   6     0.00  -0.02   0.05    -0.01  -0.00  -0.04     0.03   0.04   0.10
    60   6     0.01   0.00  -0.05    -0.01   0.00   0.04     0.00  -0.03  -0.09
    61   6     0.01  -0.02   0.01    -0.00   0.02  -0.00    -0.01  -0.06  -0.01
    62   6     0.00  -0.02   0.03     0.00   0.02  -0.02    -0.01  -0.04   0.05
    63   6    -0.00   0.01  -0.05     0.01  -0.01   0.04    -0.03   0.02  -0.08
    64   6    -0.01  -0.02   0.11    -0.00  -0.00  -0.00     0.01   0.01  -0.02
    65   6    -0.03   0.04  -0.06    -0.00   0.00   0.00     0.01  -0.02   0.01
    66   6    -0.02   0.05  -0.01    -0.00   0.00   0.00     0.01  -0.03   0.00
    67   6     0.01   0.02   0.11    -0.00   0.00   0.00     0.01  -0.02  -0.03
    68   6     0.01   0.01  -0.10     0.00  -0.00  -0.00    -0.01   0.01   0.02
    69   6     0.04  -0.02   0.00     0.00  -0.00  -0.00    -0.02   0.01   0.01
    70   6     0.04  -0.03   0.06     0.00  -0.00  -0.00    -0.01   0.01  -0.02
    71   6    -0.02  -0.01  -0.10    -0.00  -0.00   0.00     0.01   0.01   0.02
    72   6    -0.01  -0.00   0.02    -0.02  -0.00   0.11    -0.01   0.00   0.03
    73   6     0.01   0.01  -0.01     0.03   0.05  -0.07     0.00   0.02  -0.03
    74   6     0.01   0.01  -0.00     0.03   0.05  -0.01     0.01   0.02   0.01
    75   6     0.00   0.00   0.02     0.02   0.00   0.12     0.01   0.00   0.03
    76   6     0.00  -0.00  -0.02     0.02  -0.01  -0.11     0.00  -0.02  -0.04
    77   6    -0.00  -0.01  -0.00     0.00  -0.06   0.01     0.01  -0.03   0.01
    78   6    -0.00  -0.01   0.01    -0.00  -0.05   0.07     0.00  -0.02   0.01
    79   6    -0.00   0.00  -0.02    -0.02   0.02  -0.12    -0.01   0.01  -0.03
    80   1    -0.01   0.01  -0.01    -0.00  -0.00  -0.00     0.01  -0.02   0.01
    81   1    -0.01  -0.02   0.04    -0.00  -0.00   0.01     0.02   0.05  -0.13
    82   1     0.01   0.03   0.03    -0.00  -0.00   0.01    -0.01  -0.04  -0.11
    83   1     0.03   0.01   0.01    -0.00  -0.01   0.00    -0.04   0.01  -0.03
    84   1    -0.01   0.03  -0.04    -0.00   0.01  -0.01     0.02  -0.08   0.12
    85   1     0.07   0.01  -0.03     0.01   0.01  -0.01    -0.16  -0.04   0.07
    86   1     0.04  -0.04  -0.02     0.00  -0.00  -0.01    -0.09   0.09   0.09
    87   1     0.02   0.01   0.02     0.01   0.00   0.00    -0.09  -0.03  -0.07
    88   1     0.00  -0.01   0.00     0.00  -0.00  -0.00    -0.05   0.07  -0.03
    89   1    -0.02  -0.00   0.01    -0.00   0.00   0.00     0.07   0.02  -0.04
    90   1    -0.01  -0.05  -0.04     0.00  -0.00   0.01     0.03   0.09   0.06
    91   1     0.00   0.01   0.01    -0.00  -0.01  -0.01     0.02   0.02   0.04
    92   1    -0.03  -0.00  -0.03    -0.00   0.01   0.01     0.08  -0.03  -0.00
    93   1    -0.04  -0.02  -0.01    -0.01  -0.02  -0.02     0.11   0.10   0.10
    94   1    -0.03   0.04   0.04     0.00   0.00   0.00     0.01  -0.07  -0.04
    95   1     0.02  -0.01  -0.03     0.00   0.00   0.00    -0.03  -0.02   0.00
    96   1    -0.02   0.02   0.04     0.00   0.00   0.00     0.00  -0.02  -0.02
    97   1    -0.00  -0.01  -0.02     0.00   0.00   0.00     0.02  -0.04  -0.03
    98   1     0.01   0.01   0.02     0.01   0.03   0.04    -0.02  -0.05  -0.05
    99   1     0.00   0.00  -0.01    -0.00  -0.03  -0.04    -0.00  -0.02  -0.01
   100   1     0.01   0.01   0.00     0.01   0.02   0.03     0.02  -0.01   0.01
   101   1     0.01   0.01   0.01    -0.01  -0.02  -0.03     0.00  -0.07  -0.07
   102   1    -0.01  -0.04   0.20     0.02   0.03  -0.14    -0.09  -0.08   0.30
   103   1     0.00   0.01  -0.02    -0.01  -0.00   0.01     0.06  -0.01  -0.02
   104   1    -0.01  -0.00   0.04    -0.01  -0.01  -0.03     0.06   0.05   0.06
   105   1    -0.01  -0.06   0.17    -0.00   0.02  -0.13     0.03   0.02   0.32
   106   1     0.02   0.04  -0.18    -0.02  -0.02   0.13     0.02   0.02  -0.29
   107   1     0.01  -0.00  -0.03    -0.00   0.01   0.03     0.01  -0.05  -0.09
   108   1     0.01  -0.02   0.01    -0.01   0.01  -0.01     0.02  -0.02   0.04
   109   1     0.01   0.05  -0.20    -0.00  -0.03   0.14    -0.01   0.08  -0.30
   110   1     0.06  -0.08   0.38    -0.00  -0.00  -0.00    -0.01   0.04  -0.08
   111   1     0.01   0.04  -0.03     0.00   0.00  -0.00    -0.02  -0.02   0.00
   112   1    -0.00   0.03   0.08    -0.00   0.00   0.00     0.00  -0.03  -0.01
   113   1     0.06  -0.02   0.36    -0.00   0.00  -0.00     0.01  -0.02  -0.09
   114   1    -0.04   0.06  -0.36     0.00  -0.00   0.00    -0.00  -0.00   0.08
   115   1     0.02  -0.01  -0.08     0.00  -0.00  -0.00    -0.02   0.01   0.03
   116   1     0.03   0.00   0.03     0.00   0.00   0.00    -0.01  -0.00  -0.02
   117   1    -0.08   0.04  -0.38    -0.00  -0.00   0.00     0.02  -0.00   0.08
   118   1    -0.01  -0.01   0.06    -0.06  -0.09   0.41    -0.01  -0.02   0.11
   119   1     0.01  -0.00   0.00     0.04   0.01  -0.03     0.01   0.01  -0.03
   120   1     0.01   0.01   0.01     0.02   0.02   0.09     0.00   0.01   0.05
   121   1     0.00  -0.00   0.06     0.00  -0.07   0.39    -0.00  -0.02   0.11
   122   1     0.01   0.01  -0.05     0.04   0.05  -0.39     0.01  -0.01  -0.12
   123   1     0.00  -0.00  -0.02     0.01  -0.03  -0.09     0.01  -0.03  -0.01
   124   1     0.00  -0.01   0.01     0.03  -0.03   0.04     0.02  -0.01  -0.00
   125   1     0.00   0.01  -0.06     0.01   0.10  -0.41    -0.01   0.04  -0.12
   126  17    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
                     79                     80                     81
                      A                      A                      A
 Frequencies --    465.6955               479.7424               487.8296
 Red. masses --      4.8037                 5.5598                 3.7892
 Frc consts  --      0.6138                 0.7539                 0.5313
 IR Inten    --      1.8579                 1.2049                 0.1345
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.07  -0.04  -0.02     0.02  -0.07  -0.08     0.05  -0.06   0.07
     2   6     0.04  -0.04   0.03    -0.05  -0.08   0.02    -0.02  -0.09  -0.04
     3   6    -0.03   0.03   0.02    -0.09  -0.03  -0.03    -0.08  -0.03   0.15
     4   6    -0.01   0.12  -0.04    -0.09  -0.06  -0.10    -0.07  -0.01   0.14
     5   6     0.06   0.17  -0.03    -0.06  -0.07   0.05    -0.01  -0.00  -0.13
     6   6     0.13   0.09   0.04    -0.00  -0.12   0.01     0.05  -0.06   0.08
     7   6    -0.06   0.01   0.03    -0.06   0.02   0.10    -0.04  -0.01  -0.08
     8   6    -0.01  -0.04   0.05    -0.06   0.07   0.11    -0.01  -0.02  -0.14
     9   6    -0.00  -0.02  -0.02    -0.02   0.01  -0.02    -0.00   0.00  -0.05
    10   6     0.04   0.03  -0.01    -0.06  -0.03  -0.04    -0.05   0.00   0.02
    11   6    -0.04   0.03  -0.04    -0.06   0.01  -0.04    -0.01   0.05   0.01
    12   6     0.01   0.04  -0.00    -0.03   0.01   0.03     0.02   0.06  -0.09
    13   6     0.05   0.01  -0.03    -0.11   0.07   0.01     0.04   0.05  -0.06
    14   6     0.04  -0.04   0.01    -0.11   0.08  -0.06     0.02  -0.01   0.11
    15   7    -0.00  -0.04  -0.06     0.08  -0.07  -0.06     0.03  -0.01   0.03
    16   6    -0.02  -0.07   0.04     0.12  -0.03   0.03     0.05   0.01   0.08
    17   6     0.03  -0.06   0.02     0.04  -0.04   0.04    -0.01  -0.00   0.03
    18   7     0.03  -0.05   0.04    -0.03  -0.00   0.05    -0.04   0.02  -0.06
    19   6    -0.09  -0.01   0.06     0.11   0.03   0.05     0.07   0.01  -0.07
    20   6    -0.05   0.09  -0.07     0.14   0.10  -0.06     0.07   0.01   0.03
    21   6     0.02   0.08  -0.03     0.04   0.08  -0.04     0.01   0.00   0.07
    22   6     0.06   0.04  -0.06     0.07   0.04  -0.05     0.00  -0.00  -0.01
    23   6    -0.05  -0.01  -0.04     0.03   0.00  -0.02    -0.01   0.02  -0.05
    24   6    -0.01  -0.02   0.03     0.03  -0.00  -0.00    -0.01  -0.04   0.04
    25   6    -0.01  -0.05   0.06    -0.03  -0.02   0.05     0.00   0.03  -0.01
    26   6     0.01  -0.05  -0.00     0.08   0.00  -0.00     0.01  -0.05   0.03
    27   6     0.03   0.00  -0.00     0.08  -0.02  -0.00     0.03   0.00  -0.02
    28   6     0.01   0.04   0.02     0.06  -0.02  -0.00     0.01   0.03  -0.02
    29   6    -0.02   0.01  -0.00     0.08  -0.03   0.00    -0.02   0.02  -0.01
    30   6    -0.03  -0.04  -0.00     0.08  -0.02   0.01    -0.03  -0.04   0.03
    31   6    -0.10   0.02   0.03     0.04   0.06   0.04    -0.00   0.07  -0.01
    32   6    -0.04  -0.05  -0.01     0.05   0.05  -0.01     0.04   0.04   0.01
    33   6     0.01  -0.10  -0.06     0.07   0.01  -0.07     0.05  -0.02  -0.02
    34   6    -0.08  -0.09  -0.01     0.05   0.05  -0.02     0.01  -0.00   0.00
    35   6    -0.13  -0.03   0.03     0.02   0.08   0.04    -0.04   0.05  -0.01
    36   6    -0.04  -0.08   0.01    -0.08  -0.01   0.03    -0.00   0.02  -0.03
    37   6    -0.02   0.02  -0.01    -0.07   0.04  -0.02    -0.01  -0.00   0.01
    38   6     0.04   0.07   0.02    -0.03   0.05  -0.01    -0.01   0.01   0.03
    39   6     0.07  -0.00  -0.01    -0.02   0.02  -0.01    -0.03   0.00   0.01
    40   6     0.03  -0.10   0.01    -0.05  -0.05   0.02    -0.02   0.02  -0.03
    41   7     0.01  -0.03   0.01     0.03  -0.00   0.02     0.02  -0.01  -0.01
    42   7     0.00   0.01   0.01     0.02  -0.01  -0.00     0.00   0.01   0.02
    43   7     0.01   0.02   0.03    -0.01   0.01   0.02    -0.00   0.01  -0.02
    44   6    -0.01   0.00   0.00    -0.03  -0.02  -0.01    -0.01  -0.00   0.01
    45   6    -0.01  -0.00  -0.00    -0.04   0.01  -0.00    -0.01  -0.00  -0.01
    46   6     0.00  -0.01  -0.00    -0.04   0.02   0.00     0.00  -0.00  -0.01
    47   6     0.01  -0.00   0.00    -0.02   0.03   0.01     0.01  -0.00   0.01
    48   6     0.01   0.07   0.00     0.02  -0.02   0.01     0.01   0.00  -0.01
    49   6     0.03   0.07  -0.01    -0.02  -0.01  -0.01    -0.01   0.00   0.00
    50   6     0.02   0.03  -0.00    -0.04  -0.03  -0.01    -0.02  -0.01   0.01
    51   6     0.03  -0.02   0.00    -0.04  -0.01   0.02    -0.02  -0.01  -0.00
    52   6    -0.03  -0.00   0.01     0.01   0.01   0.02     0.00   0.01  -0.01
    53   6    -0.03  -0.00  -0.01     0.02  -0.01  -0.01     0.01  -0.00   0.01
    54   6    -0.00  -0.01  -0.01     0.03  -0.02  -0.01     0.01  -0.01   0.01
    55   6     0.02   0.00   0.01     0.02  -0.03   0.01     0.01  -0.01  -0.01
    56   6     0.00  -0.00  -0.00    -0.04   0.00  -0.00     0.00  -0.00  -0.00
    57   6    -0.01  -0.00   0.00    -0.00  -0.00  -0.00    -0.01  -0.00   0.01
    58   6    -0.01   0.00  -0.00     0.02   0.03   0.01    -0.01   0.00  -0.01
    59   6    -0.00  -0.00  -0.00     0.00   0.05   0.01    -0.00  -0.00   0.00
    60   6    -0.00  -0.01  -0.00    -0.02  -0.04  -0.01     0.00  -0.00   0.00
    61   6     0.01  -0.01  -0.00    -0.00  -0.04  -0.01     0.01  -0.00  -0.01
    62   6     0.01  -0.01   0.00    -0.00   0.00   0.00     0.00  -0.01   0.01
    63   6    -0.01   0.00  -0.00    -0.03   0.02   0.00    -0.00  -0.00  -0.00
    64   6     0.03   0.03  -0.00    -0.02  -0.03  -0.01    -0.01  -0.02   0.00
    65   6     0.02   0.00   0.01     0.01   0.00   0.01     0.00   0.01  -0.00
    66   6     0.04  -0.04  -0.02    -0.02   0.04   0.00    -0.00   0.02   0.01
    67   6     0.04  -0.04  -0.02    -0.04   0.03   0.02    -0.02   0.01   0.01
    68   6    -0.05   0.06   0.03     0.02  -0.03  -0.01     0.00  -0.01  -0.00
    69   6    -0.07   0.02   0.01     0.02  -0.02  -0.02    -0.00  -0.01   0.00
    70   6    -0.03   0.00   0.00    -0.01  -0.01   0.01    -0.01  -0.00  -0.00
    71   6     0.04   0.04   0.01    -0.03  -0.01  -0.00    -0.01  -0.00   0.00
    72   6    -0.01  -0.00  -0.00     0.03  -0.00  -0.00     0.01   0.00   0.00
    73   6    -0.02  -0.00   0.01    -0.01  -0.00   0.01     0.00   0.00  -0.01
    74   6    -0.01   0.01  -0.00    -0.02  -0.02  -0.01    -0.00  -0.01   0.01
    75   6    -0.00   0.00   0.00    -0.01  -0.04  -0.01     0.00  -0.01  -0.01
    76   6    -0.01  -0.03  -0.01     0.02   0.02   0.01     0.00   0.01  -0.00
    77   6     0.01  -0.02  -0.01     0.01   0.02  -0.00     0.00   0.00   0.01
    78   6     0.01  -0.02   0.01     0.01  -0.01   0.01     0.00   0.00  -0.01
    79   6    -0.02   0.00  -0.00     0.02  -0.01  -0.01     0.01  -0.00   0.00
    80   1     0.02  -0.05  -0.07     0.07  -0.11  -0.04     0.03  -0.02  -0.02
    81   1     0.03  -0.08   0.05    -0.06  -0.15   0.19    -0.05  -0.15  -0.35
    82   1     0.08   0.25  -0.03    -0.04  -0.01   0.19     0.01   0.06  -0.42
    83   1     0.26   0.12   0.12    -0.00  -0.12   0.10     0.09  -0.05   0.01
    84   1    -0.06   0.05  -0.10    -0.06   0.01  -0.24    -0.04   0.07   0.27
    85   1     0.10   0.03  -0.06    -0.17   0.05  -0.03     0.08   0.06   0.04
    86   1     0.06  -0.06  -0.00    -0.10   0.08  -0.20     0.06  -0.04   0.35
    87   1    -0.18  -0.03   0.08     0.04   0.01   0.07     0.07   0.00  -0.22
    88   1    -0.11   0.16  -0.14     0.15   0.10  -0.08     0.09  -0.02  -0.02
    89   1     0.16   0.06  -0.08     0.18   0.06  -0.08     0.02  -0.00  -0.13
    90   1     0.03  -0.10  -0.03     0.09  -0.01   0.00     0.04  -0.08   0.04
    91   1     0.06  -0.01  -0.03     0.08  -0.02  -0.00     0.08   0.01  -0.03
    92   1    -0.05   0.02  -0.03     0.09  -0.03   0.01    -0.06   0.05  -0.03
    93   1    -0.07  -0.07  -0.02     0.11  -0.01   0.00    -0.09  -0.05   0.04
    94   1    -0.13   0.07   0.08     0.01   0.11   0.09    -0.00   0.14  -0.00
    95   1    -0.04  -0.02   0.04     0.02   0.08   0.03     0.07   0.07   0.05
    96   1    -0.11  -0.11   0.04     0.03   0.09   0.02    -0.02  -0.03   0.04
    97   1    -0.22  -0.01   0.08     0.02   0.12   0.10    -0.10   0.06   0.02
    98   1    -0.11  -0.12  -0.02    -0.14  -0.03   0.03     0.01   0.00  -0.06
    99   1    -0.07   0.05  -0.06    -0.11   0.06  -0.05     0.01  -0.04  -0.00
   100   1     0.13  -0.01  -0.05     0.02   0.03  -0.03    -0.06  -0.01   0.00
   101   1     0.07  -0.18  -0.01    -0.02  -0.08   0.02    -0.05   0.02  -0.06
   102   1     0.01   0.01  -0.00    -0.05  -0.02  -0.01     0.01   0.01  -0.00
   103   1    -0.01   0.00   0.00     0.02  -0.03  -0.01    -0.01  -0.00   0.02
   104   1    -0.01   0.00  -0.00     0.04   0.03   0.01    -0.00   0.01  -0.02
   105   1    -0.01  -0.02  -0.01     0.01   0.07   0.02    -0.01  -0.01  -0.01
   106   1    -0.00  -0.02  -0.01    -0.02  -0.06  -0.02     0.00  -0.01  -0.01
   107   1     0.01  -0.01  -0.01     0.02  -0.05  -0.01     0.01   0.00  -0.02
   108   1     0.01  -0.00   0.01     0.03   0.02   0.01     0.01  -0.01   0.02
   109   1    -0.01   0.01  -0.00    -0.03   0.04   0.01    -0.00   0.01  -0.00
   110   1     0.02   0.04  -0.02    -0.01  -0.06  -0.02    -0.00  -0.03  -0.01
   111   1    -0.02   0.00   0.02     0.05  -0.00   0.01     0.02   0.01  -0.01
   112   1     0.02  -0.06  -0.03    -0.01   0.06  -0.02     0.01   0.03   0.01
   113   1     0.04  -0.04  -0.03    -0.06   0.06   0.02    -0.03   0.04   0.01
   114   1    -0.10   0.08   0.06     0.02  -0.03  -0.01    -0.01  -0.00   0.01
   115   1    -0.10   0.01   0.01     0.03  -0.01  -0.04     0.01  -0.01   0.01
   116   1    -0.03  -0.06  -0.00    -0.00   0.02   0.03    -0.01   0.00  -0.00
   117   1     0.09   0.01   0.01    -0.03  -0.01   0.00     0.00  -0.01   0.01
   118   1     0.00   0.01  -0.00     0.04   0.02   0.00     0.01   0.00   0.01
   119   1    -0.02  -0.01   0.01    -0.02   0.02   0.02    -0.00   0.01  -0.01
   120   1    -0.00   0.01  -0.01    -0.03  -0.01  -0.03    -0.01  -0.01   0.02
   121   1    -0.01  -0.01  -0.01    -0.02  -0.06  -0.02    -0.00  -0.02  -0.00
   122   1    -0.01  -0.06  -0.02     0.02   0.02   0.00     0.00   0.01   0.00
   123   1     0.02  -0.02  -0.02    -0.00   0.03  -0.01    -0.00   0.00   0.02
   124   1     0.03  -0.01   0.02    -0.01  -0.02   0.01    -0.00   0.00  -0.02
   125   1    -0.02   0.03   0.00     0.02  -0.01  -0.01     0.01  -0.01   0.00
   126  17     0.00   0.00   0.00    -0.00   0.01   0.00    -0.00   0.00   0.00
                     82                     83                     84
                      A                      A                      A
 Frequencies --    493.7537               501.7503               524.5599
 Red. masses --      3.8835                 6.3367                 5.3891
 Frc consts  --      0.5578                 0.9399                 0.8737
 IR Inten    --      0.8659                 2.3936                 5.5179
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.02  -0.03     0.02  -0.01   0.14     0.01  -0.05   0.02
     2   6    -0.00   0.02  -0.02     0.05  -0.01   0.10    -0.06  -0.07   0.07
     3   6     0.02   0.00   0.01     0.02  -0.00  -0.19    -0.06  -0.04  -0.11
     4   6     0.02  -0.00  -0.03     0.03   0.01  -0.01    -0.09  -0.01  -0.07
     5   6    -0.00  -0.01   0.02     0.03  -0.00  -0.04    -0.03   0.01  -0.03
     6   6    -0.02   0.01  -0.01     0.04  -0.02   0.01     0.02  -0.04   0.04
     7   6     0.02   0.00   0.07    -0.08  -0.02  -0.21     0.12   0.01  -0.06
     8   6     0.01  -0.00   0.05    -0.07  -0.01  -0.04     0.11   0.04  -0.04
     9   6     0.00   0.00   0.01    -0.03   0.00   0.25     0.06   0.07   0.16
    10   6     0.01   0.00  -0.00     0.02   0.01   0.25    -0.09   0.03   0.16
    11   6     0.02  -0.01  -0.03    -0.09  -0.00   0.10     0.13  -0.05   0.06
    12   6     0.00  -0.01   0.01    -0.03   0.03   0.12     0.04  -0.08   0.02
    13   6     0.01  -0.01   0.02    -0.05   0.02  -0.02     0.04  -0.07   0.06
    14   6     0.01  -0.01  -0.04    -0.06  -0.01  -0.01     0.07   0.02  -0.05
    15   7    -0.02   0.01  -0.15    -0.00  -0.03  -0.14     0.06   0.04  -0.08
    16   6    -0.02   0.02   0.27     0.02  -0.01   0.04     0.01  -0.03  -0.00
    17   6    -0.01   0.02   0.27     0.04  -0.00   0.02    -0.08  -0.05  -0.02
    18   7     0.00   0.01  -0.11     0.03   0.01  -0.14    -0.12  -0.02  -0.05
    19   6    -0.01  -0.00  -0.14     0.03  -0.01   0.02    -0.02   0.00   0.04
    20   6    -0.02  -0.02   0.06     0.03  -0.01  -0.02    -0.01   0.06  -0.04
    21   6    -0.01  -0.02   0.05     0.02  -0.01   0.01    -0.03   0.05   0.01
    22   6    -0.01  -0.02  -0.16     0.04  -0.02   0.02    -0.05   0.03   0.00
    23   6     0.01  -0.01   0.02    -0.06   0.06   0.00     0.02  -0.02  -0.07
    24   6    -0.00  -0.00  -0.00     0.03   0.08   0.03    -0.01  -0.05  -0.10
    25   6     0.00   0.00  -0.00    -0.00   0.01   0.00     0.01   0.04   0.05
    26   6    -0.01   0.01   0.00     0.03   0.01  -0.08    -0.05   0.03   0.02
    27   6    -0.01   0.00   0.00     0.03  -0.03   0.01    -0.06   0.03   0.03
    28   6    -0.01  -0.00  -0.01     0.05   0.04   0.13    -0.07  -0.06  -0.09
    29   6    -0.01   0.00  -0.00     0.05  -0.04   0.03    -0.03   0.04   0.01
    30   6    -0.01   0.01   0.00     0.05  -0.03  -0.08    -0.02   0.06   0.00
    31   6     0.01  -0.02   0.01    -0.02   0.02  -0.08     0.01   0.04   0.00
    32   6    -0.01  -0.01  -0.01     0.02  -0.01   0.02     0.02   0.03   0.02
    33   6    -0.01   0.01  -0.00    -0.03   0.01   0.11     0.05  -0.02  -0.05
    34   6     0.00   0.01  -0.01    -0.01  -0.04   0.03    -0.00   0.02   0.01
    35   6     0.02  -0.01   0.01    -0.04  -0.01  -0.08    -0.02   0.04  -0.00
    36   6     0.01   0.00  -0.00    -0.03   0.02  -0.01     0.03  -0.03  -0.01
    37   6     0.01  -0.00  -0.00    -0.03   0.01  -0.00     0.03  -0.03  -0.00
    38   6     0.00  -0.01  -0.01    -0.03   0.01   0.01     0.05   0.03   0.06
    39   6     0.01  -0.00  -0.00    -0.03   0.00   0.00     0.04  -0.02  -0.01
    40   6     0.01   0.01   0.01    -0.03   0.00  -0.00     0.03  -0.01  -0.02
    41   7    -0.00   0.00   0.01    -0.02   0.01  -0.04     0.02  -0.00  -0.00
    42   7    -0.01  -0.00   0.00     0.03   0.02  -0.04    -0.03  -0.02   0.00
    43   7     0.00  -0.00   0.00    -0.01   0.01  -0.00     0.02   0.01  -0.00
    44   6     0.01   0.00   0.00    -0.04   0.00  -0.04     0.08   0.01   0.02
    45   6     0.01  -0.00   0.00    -0.04  -0.00   0.01     0.08  -0.01   0.00
    46   6     0.00  -0.00  -0.00    -0.00  -0.01   0.02    -0.03   0.02  -0.00
    47   6    -0.00  -0.00  -0.00     0.02   0.01  -0.03    -0.06   0.02   0.01
    48   6    -0.00  -0.00   0.00    -0.02  -0.01  -0.03     0.02   0.03   0.00
    49   6    -0.00  -0.00  -0.00     0.00  -0.01   0.02     0.01   0.02  -0.00
    50   6     0.00   0.00  -0.00     0.02   0.01   0.01    -0.04  -0.03   0.00
    51   6     0.00   0.00   0.00     0.01   0.01  -0.03    -0.05  -0.02   0.01
    52   6     0.00  -0.00   0.00     0.01   0.01   0.00    -0.05  -0.01  -0.02
    53   6    -0.00   0.00  -0.00     0.01  -0.00   0.00    -0.05   0.01   0.00
    54   6    -0.00   0.00  -0.00     0.01  -0.01   0.00     0.01  -0.01   0.00
    55   6    -0.00   0.00   0.00     0.01  -0.01  -0.01     0.03  -0.01  -0.01
    56   6     0.00   0.00   0.00    -0.00  -0.00   0.01    -0.03  -0.01  -0.01
    57   6     0.00   0.00   0.00    -0.01   0.01  -0.02     0.00  -0.02   0.00
    58   6    -0.00  -0.00  -0.00    -0.01   0.01   0.02     0.02  -0.01  -0.01
    59   6     0.00  -0.01  -0.00     0.00   0.01  -0.01    -0.01   0.02   0.01
    60   6     0.00   0.01   0.00    -0.02  -0.03  -0.02     0.06   0.06   0.02
    61   6    -0.00   0.01   0.00     0.01  -0.03   0.01    -0.01   0.03   0.00
    62   6    -0.00  -0.00   0.00     0.01   0.02  -0.02    -0.01  -0.04  -0.01
    63   6     0.01  -0.00  -0.00    -0.03   0.02   0.02     0.05  -0.06  -0.02
    64   6     0.00   0.00  -0.00     0.01   0.02   0.01    -0.01  -0.05  -0.01
    65   6    -0.00  -0.00   0.00    -0.01   0.01  -0.02     0.02  -0.02  -0.00
    66   6    -0.00  -0.00  -0.00     0.00  -0.01   0.02    -0.00   0.02   0.00
    67   6     0.00  -0.00   0.00     0.02  -0.00  -0.01    -0.05   0.01   0.01
    68   6     0.00  -0.00   0.00    -0.00  -0.00  -0.01    -0.00   0.02   0.01
    69   6     0.00   0.00  -0.00     0.01   0.00   0.02    -0.01  -0.01  -0.00
    70   6     0.00   0.00   0.00    -0.00   0.01  -0.02     0.01  -0.01  -0.00
    71   6    -0.00  -0.00  -0.00    -0.00  -0.00   0.01     0.02   0.00  -0.01
    72   6    -0.00  -0.00  -0.00     0.01   0.00   0.00     0.01   0.01   0.01
    73   6     0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.01  -0.00
    74   6     0.00   0.00  -0.00    -0.00  -0.01  -0.00    -0.01   0.01   0.01
    75   6    -0.00   0.01   0.00     0.00  -0.02  -0.00     0.01  -0.01  -0.00
    76   6    -0.00  -0.00   0.00     0.01   0.01   0.00    -0.04  -0.03  -0.01
    77   6    -0.00  -0.00  -0.00     0.00   0.01   0.00     0.00  -0.02   0.00
    78   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.03   0.00
    79   6    -0.00   0.00  -0.00     0.01  -0.01  -0.00    -0.03   0.04   0.01
    80   1    -0.01   0.02  -0.26     0.00  -0.04  -0.27     0.08   0.06  -0.14
    81   1     0.00   0.04   0.03     0.05  -0.01   0.14    -0.07  -0.13   0.18
    82   1    -0.01  -0.03   0.08     0.03   0.00  -0.04    -0.02   0.07   0.04
    83   1    -0.04   0.01   0.03     0.05  -0.01  -0.07     0.06  -0.03   0.09
    84   1     0.02  -0.01  -0.14    -0.11   0.02   0.18     0.19  -0.11   0.10
    85   1     0.01  -0.01   0.01    -0.05   0.02  -0.08    -0.01  -0.08   0.08
    86   1     0.01  -0.00  -0.10    -0.05  -0.02   0.07     0.03   0.06  -0.05
    87   1     0.01  -0.01  -0.52     0.04  -0.01   0.02    -0.08  -0.01   0.09
    88   1    -0.02  -0.03  -0.07     0.04  -0.02  -0.04    -0.02   0.07  -0.06
    89   1    -0.04  -0.02  -0.59     0.04  -0.02   0.01     0.01   0.04   0.05
    90   1    -0.02   0.01   0.01    -0.01  -0.06  -0.20    -0.06   0.16   0.12
    91   1    -0.01   0.01   0.01    -0.05  -0.12  -0.08    -0.04   0.13   0.15
    92   1    -0.01   0.01   0.00     0.08  -0.16  -0.06     0.01   0.12   0.14
    93   1    -0.01   0.02   0.01     0.09  -0.10  -0.21    -0.01   0.15   0.12
    94   1     0.00  -0.04   0.01     0.05   0.03  -0.18    -0.03   0.11   0.07
    95   1    -0.03  -0.01  -0.01     0.14  -0.03  -0.04    -0.01   0.08   0.10
    96   1     0.01   0.02  -0.01     0.01  -0.16  -0.03    -0.05   0.05   0.09
    97   1     0.04  -0.01   0.01    -0.05  -0.08  -0.19    -0.06   0.08   0.07
    98   1     0.02   0.01   0.00    -0.04   0.01  -0.02     0.04  -0.08  -0.09
    99   1     0.01   0.00   0.01    -0.03  -0.00  -0.01     0.01  -0.09  -0.08
   100   1     0.01  -0.00   0.00    -0.04  -0.00  -0.00     0.00  -0.08  -0.08
   101   1     0.00   0.03   0.02    -0.04   0.01  -0.02     0.03  -0.08  -0.09
   102   1     0.00   0.00   0.00     0.00   0.01   0.02    -0.05  -0.05  -0.02
   103   1     0.00   0.00   0.00    -0.01   0.01  -0.05     0.01  -0.04   0.01
   104   1    -0.00  -0.00  -0.00    -0.01  -0.00   0.06     0.04  -0.01  -0.02
   105   1     0.00  -0.01  -0.00    -0.01  -0.01   0.00     0.01   0.06   0.02
   106   1     0.00   0.01   0.00    -0.03  -0.07  -0.01     0.06   0.12   0.03
   107   1    -0.00   0.01  -0.00     0.03  -0.05   0.05    -0.07   0.06  -0.01
   108   1    -0.01  -0.00  -0.00     0.04   0.04  -0.03    -0.06  -0.07  -0.02
   109   1     0.01  -0.01  -0.00    -0.03   0.05   0.04     0.05  -0.12  -0.04
   110   1    -0.00   0.01  -0.00     0.00   0.03   0.03     0.01  -0.08  -0.02
   111   1    -0.00  -0.00   0.01    -0.03   0.01  -0.04     0.05  -0.02  -0.01
   112   1    -0.00  -0.00  -0.01     0.00  -0.03   0.05     0.02   0.05  -0.00
   113   1     0.00  -0.01  -0.00     0.03  -0.02   0.00    -0.06   0.05   0.02
   114   1     0.00  -0.00  -0.00     0.01  -0.01   0.00    -0.03   0.04   0.01
   115   1     0.00   0.00  -0.01     0.02  -0.00   0.05    -0.02  -0.02  -0.00
   116   1     0.00   0.00   0.01    -0.01   0.02  -0.04     0.01  -0.03  -0.00
   117   1    -0.00   0.00  -0.00    -0.01   0.00   0.02     0.05  -0.01  -0.01
   118   1    -0.01  -0.00  -0.00     0.02   0.01   0.01     0.03   0.02   0.02
   119   1     0.00  -0.01   0.00    -0.00   0.02   0.00    -0.00   0.02  -0.01
   120   1     0.01   0.00  -0.00    -0.02  -0.01   0.00    -0.02   0.00   0.02
   121   1     0.00   0.01   0.00    -0.00  -0.02  -0.00    -0.01  -0.03  -0.01
   122   1    -0.00  -0.00   0.00     0.01   0.02   0.00    -0.04  -0.07  -0.02
   123   1    -0.00  -0.00  -0.00    -0.01   0.01   0.01     0.04  -0.04   0.01
   124   1    -0.00   0.00   0.00    -0.01  -0.01  -0.01     0.03   0.05   0.00
   125   1    -0.00  -0.00   0.00     0.01  -0.01  -0.00    -0.03   0.07   0.03
   126  17     0.00  -0.00   0.01     0.00   0.00   0.00    -0.00  -0.01   0.00
                     85                     86                     87
                      A                      A                      A
 Frequencies --    530.4541               532.3130               534.3042
 Red. masses --      4.3826                 4.8768                 5.5723
 Frc consts  --      0.7266                 0.8142                 0.9373
 IR Inten    --      2.9548                 0.3465                 5.5300
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.00   0.01     0.02  -0.02   0.00    -0.01   0.03   0.00
     2   6    -0.00   0.00   0.01     0.01  -0.03  -0.01     0.02   0.04  -0.01
     3   6    -0.01   0.01  -0.01    -0.02  -0.00  -0.01     0.03   0.02   0.01
     4   6    -0.01   0.01   0.00    -0.02   0.01  -0.00     0.05   0.00   0.01
     5   6    -0.00   0.02  -0.01     0.01   0.02   0.02     0.02  -0.01   0.00
     6   6     0.01   0.01   0.01     0.03  -0.02  -0.02    -0.02   0.03  -0.01
     7   6    -0.00   0.01  -0.03    -0.02  -0.00   0.02    -0.07  -0.01   0.00
     8   6     0.00   0.01  -0.03    -0.01  -0.01   0.01    -0.06  -0.03   0.00
     9   6     0.00  -0.02   0.05    -0.00  -0.00  -0.01    -0.03  -0.04  -0.02
    10   6     0.01  -0.02   0.03    -0.01   0.00  -0.01     0.06  -0.02  -0.02
    11   6    -0.00   0.01   0.02    -0.01   0.02  -0.00    -0.06   0.04  -0.01
    12   6    -0.00   0.00  -0.01     0.01   0.02  -0.01    -0.01   0.06   0.00
    13   6    -0.01   0.01   0.01     0.02   0.02   0.01    -0.01   0.06  -0.01
    14   6    -0.00   0.01  -0.01     0.01  -0.01  -0.01    -0.03  -0.02   0.01
    15   7     0.00  -0.02   0.00     0.00  -0.01   0.00    -0.04  -0.02   0.01
    16   6     0.00  -0.01  -0.01     0.01  -0.00  -0.00    -0.01   0.03   0.00
    17   6    -0.00  -0.00   0.02    -0.00  -0.00   0.00     0.05   0.04   0.00
    18   7     0.01  -0.02  -0.04    -0.01   0.00   0.00     0.08   0.02   0.00
    19   6    -0.01   0.01  -0.03     0.01   0.00  -0.00     0.02   0.00  -0.01
    20   6     0.01   0.05   0.03     0.01   0.01  -0.00     0.00  -0.06   0.01
    21   6     0.00   0.03  -0.03     0.00   0.01  -0.00     0.02  -0.04  -0.00
    22   6     0.00   0.04   0.03     0.00   0.00  -0.00     0.02  -0.03   0.00
    23   6     0.01  -0.01  -0.03    -0.04   0.04   0.05     0.01  -0.01   0.00
    24   6    -0.01  -0.03  -0.03    -0.01  -0.04  -0.04    -0.01  -0.01   0.00
    25   6    -0.03  -0.10  -0.10    -0.00  -0.00  -0.00     0.01   0.01  -0.00
    26   6     0.00  -0.00   0.00     0.00  -0.02   0.01     0.03  -0.03  -0.01
    27   6     0.01   0.01   0.01     0.01   0.02   0.02     0.04   0.01   0.01
    28   6    -0.00  -0.02  -0.03    -0.01  -0.02  -0.04     0.03   0.01   0.00
    29   6     0.01   0.01   0.01    -0.00   0.02   0.02     0.01   0.01   0.02
    30   6     0.00  -0.00   0.01    -0.01  -0.01   0.01     0.00  -0.04  -0.01
    31   6    -0.01   0.00   0.00    -0.01   0.02  -0.01    -0.00  -0.02  -0.01
    32   6    -0.01   0.00   0.01     0.03  -0.02  -0.02    -0.02  -0.01   0.01
    33   6     0.01  -0.02  -0.02    -0.02   0.02   0.06    -0.01  -0.00   0.00
    34   6    -0.01   0.00   0.01     0.01  -0.03  -0.02    -0.01   0.00   0.01
    35   6    -0.00  -0.00   0.00    -0.02   0.00  -0.01     0.01  -0.02  -0.00
    36   6    -0.01  -0.02   0.03    -0.00  -0.00   0.00    -0.01   0.02  -0.00
    37   6     0.01   0.04   0.03    -0.00   0.00  -0.00    -0.02   0.00  -0.01
    38   6    -0.01  -0.06  -0.12    -0.00   0.00  -0.00    -0.03   0.00  -0.00
    39   6     0.03   0.04   0.03    -0.00   0.00   0.00    -0.03  -0.01  -0.00
    40   6     0.01  -0.02   0.03    -0.00  -0.00   0.00    -0.02   0.01   0.01
    41   7    -0.00  -0.00   0.00     0.02  -0.02  -0.01    -0.03   0.02   0.01
    42   7     0.00   0.00   0.00     0.00   0.02   0.01     0.03   0.05   0.01
    43   7     0.00   0.00   0.01    -0.00   0.00   0.00    -0.02  -0.02  -0.00
    44   6     0.04   0.01   0.01     0.09   0.03   0.02     0.11   0.05   0.02
    45   6     0.03  -0.01  -0.00     0.08  -0.03  -0.00     0.09  -0.04  -0.00
    46   6    -0.04   0.01  -0.00    -0.08   0.01  -0.00    -0.12   0.01  -0.00
    47   6    -0.03   0.03   0.01    -0.06   0.07   0.02    -0.08   0.12   0.02
    48   6     0.01   0.04   0.01    -0.03  -0.14  -0.03     0.01   0.09   0.01
    49   6     0.02   0.02  -0.00    -0.09  -0.08   0.01     0.06   0.04  -0.00
    50   6    -0.02  -0.02  -0.00     0.08   0.09   0.00    -0.04  -0.06  -0.00
    51   6    -0.03  -0.01   0.01     0.14   0.03  -0.03    -0.09  -0.01   0.01
    52   6     0.14   0.03   0.04     0.00   0.00   0.00    -0.05  -0.02  -0.01
    53   6     0.11  -0.04  -0.01     0.00  -0.00  -0.00    -0.03   0.02   0.00
    54   6    -0.12   0.04  -0.01    -0.00   0.00  -0.00     0.05  -0.01   0.00
    55   6    -0.10   0.10   0.04    -0.00   0.00   0.00     0.03  -0.06  -0.01
    56   6    -0.04  -0.02  -0.01    -0.10  -0.06  -0.03    -0.14  -0.09  -0.03
    57   6    -0.02  -0.03  -0.01    -0.05  -0.07  -0.02    -0.09  -0.11  -0.04
    58   6     0.01   0.01   0.00     0.01   0.02   0.00    -0.00   0.03   0.01
    59   6    -0.02   0.04   0.01    -0.05   0.10   0.03    -0.07   0.15   0.04
    60   6     0.03   0.02   0.01     0.09   0.06   0.03     0.12   0.08   0.03
    61   6    -0.00   0.01  -0.00     0.00   0.02   0.00     0.01   0.01   0.01
    62   6    -0.00  -0.03  -0.01     0.01  -0.09  -0.02     0.02  -0.12  -0.04
    63   6     0.02  -0.04  -0.01     0.05  -0.10  -0.02     0.06  -0.14  -0.03
    64   6    -0.00  -0.04  -0.01    -0.00   0.16   0.03     0.01  -0.10  -0.02
    65   6     0.01  -0.02  -0.01    -0.05   0.12   0.03     0.03  -0.08  -0.02
    66   6    -0.00   0.01  -0.00     0.02  -0.02  -0.00    -0.01   0.01   0.01
    67   6    -0.03   0.00   0.01     0.16  -0.01  -0.04    -0.10   0.00   0.02
    68   6    -0.00   0.04   0.01     0.01  -0.16  -0.04    -0.01   0.11   0.02
    69   6    -0.01   0.00   0.00     0.02  -0.02  -0.00    -0.01   0.02   0.01
    70   6     0.02  -0.01  -0.01    -0.11   0.05   0.03     0.09  -0.03  -0.03
    71   6     0.04   0.00  -0.01    -0.16   0.00   0.04     0.11  -0.01  -0.02
    72   6    -0.14  -0.07  -0.04    -0.00  -0.00  -0.00     0.07   0.04   0.01
    73   6    -0.06  -0.10  -0.02    -0.00  -0.00  -0.00     0.04   0.05   0.02
    74   6     0.02   0.02  -0.00     0.00   0.00  -0.00    -0.00  -0.02  -0.01
    75   6    -0.06   0.14   0.04    -0.00   0.00   0.00     0.03  -0.07  -0.02
    76   6     0.12   0.08   0.04     0.00   0.00   0.00    -0.05  -0.03  -0.01
    77   6    -0.00   0.03  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    78   6    -0.00  -0.11  -0.02     0.00  -0.00  -0.00    -0.01   0.05   0.01
    79   6     0.07  -0.13  -0.04     0.00  -0.01  -0.00    -0.02   0.05   0.01
    80   1    -0.01  -0.04  -0.02     0.00  -0.01   0.01    -0.06  -0.04   0.02
    81   1    -0.01  -0.01   0.00     0.00  -0.05   0.01     0.03   0.09  -0.03
    82   1     0.00   0.03  -0.02     0.02   0.05   0.04     0.01  -0.05  -0.01
    83   1     0.02   0.01   0.01     0.06  -0.01  -0.02    -0.05   0.02  -0.02
    84   1     0.00   0.00   0.07    -0.02   0.03  -0.03    -0.11   0.09  -0.02
    85   1    -0.01   0.01   0.04     0.04   0.03   0.01     0.03   0.07  -0.02
    86   1    -0.01   0.01   0.02     0.03  -0.02  -0.04     0.00  -0.05   0.01
    87   1    -0.04   0.00  -0.03     0.00  -0.00  -0.00     0.07   0.01  -0.01
    88   1    -0.01   0.06   0.08     0.01   0.01   0.00     0.01  -0.07   0.02
    89   1     0.04   0.04   0.03     0.01   0.01  -0.00    -0.04  -0.04  -0.00
    90   1     0.02   0.03   0.05     0.02   0.01   0.06     0.05  -0.05  -0.01
    91   1     0.02   0.05   0.06     0.04   0.07   0.08     0.06   0.02   0.02
    92   1     0.01   0.05   0.06    -0.00   0.09   0.08     0.00   0.03   0.03
    93   1     0.01   0.03   0.05    -0.01   0.03   0.06     0.00  -0.04  -0.01
    94   1    -0.03   0.02   0.03     0.04  -0.01  -0.09    -0.01  -0.04  -0.00
    95   1    -0.03   0.03   0.04     0.10  -0.07  -0.12    -0.04  -0.00   0.02
    96   1    -0.03   0.03   0.05     0.06  -0.11  -0.11    -0.01   0.02   0.02
    97   1    -0.03   0.02   0.03     0.01  -0.05  -0.09     0.02  -0.02  -0.00
    98   1     0.00   0.10   0.18    -0.00   0.00   0.01    -0.02   0.02  -0.00
    99   1     0.02   0.20   0.19    -0.00   0.01   0.00    -0.01  -0.01  -0.01
   100   1     0.10   0.18   0.19     0.00   0.01   0.00    -0.03  -0.01  -0.01
   101   1     0.06   0.08   0.18    -0.00   0.00   0.01    -0.04   0.03   0.00
   102   1    -0.06  -0.05  -0.02    -0.13  -0.11  -0.04    -0.18  -0.15  -0.05
   103   1    -0.00  -0.06  -0.01    -0.02  -0.13  -0.03    -0.04  -0.19  -0.07
   104   1     0.05   0.01  -0.00     0.11   0.01   0.00     0.16   0.02   0.03
   105   1    -0.00   0.07   0.02    -0.02   0.14   0.04    -0.04   0.20   0.05
   106   1     0.03   0.05   0.02     0.09   0.11   0.04     0.12   0.13   0.05
   107   1    -0.04   0.03  -0.00    -0.09   0.07  -0.00    -0.12   0.08   0.02
   108   1    -0.02  -0.05  -0.01    -0.05  -0.12  -0.03    -0.05  -0.16  -0.06
   109   1     0.02  -0.07  -0.02     0.06  -0.16  -0.04     0.07  -0.20  -0.04
   110   1     0.01  -0.06  -0.01    -0.04   0.24   0.06     0.03  -0.14  -0.03
   111   1     0.03  -0.02  -0.01    -0.15   0.12   0.05     0.09  -0.08  -0.04
   112   1     0.02   0.03  -0.00    -0.06  -0.15  -0.00     0.04   0.09   0.01
   113   1    -0.04   0.02   0.01     0.20  -0.08  -0.05    -0.12   0.04   0.03
   114   1    -0.02   0.05   0.01     0.08  -0.20  -0.05    -0.04   0.13   0.03
   115   1    -0.04  -0.02   0.00     0.15   0.06  -0.01    -0.10  -0.04   0.02
   116   1     0.02  -0.04  -0.01    -0.11   0.15   0.05     0.09  -0.10  -0.04
   117   1     0.06  -0.01  -0.02    -0.24   0.04   0.06     0.15  -0.03  -0.03
   118   1    -0.19  -0.15  -0.07    -0.00  -0.00  -0.00     0.09   0.07   0.02
   119   1    -0.02  -0.18  -0.03    -0.00  -0.00  -0.00     0.02   0.09   0.03
   120   1     0.16   0.02  -0.02     0.00   0.00  -0.00    -0.08  -0.01  -0.01
   121   1    -0.01   0.22   0.05    -0.00   0.01   0.00     0.02  -0.10  -0.02
   122   1     0.12   0.17   0.05     0.01   0.01   0.00    -0.05  -0.05  -0.02
   123   1    -0.12   0.10  -0.02    -0.00   0.00  -0.00     0.05  -0.03  -0.01
   124   1    -0.08  -0.16  -0.03    -0.00  -0.01  -0.00     0.02   0.06   0.02
   125   1     0.08  -0.23  -0.07     0.00  -0.01  -0.00    -0.02   0.08   0.02
   126  17     0.00   0.00   0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
                     88                     89                     90
                      A                      A                      A
 Frequencies --    542.7443               549.5857               551.0840
 Red. masses --      3.9476                 3.5020                 4.0019
 Frc consts  --      0.6851                 0.6232                 0.7161
 IR Inten    --     12.1559                 3.3539                 4.4892
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.01  -0.00     0.04  -0.03   0.03     0.02  -0.03   0.02
     2   6     0.00  -0.01  -0.01     0.02  -0.04  -0.02     0.00  -0.04  -0.04
     3   6     0.01  -0.02  -0.00    -0.03  -0.01  -0.04    -0.02  -0.01   0.04
     4   6     0.01  -0.01  -0.00    -0.03   0.01  -0.00    -0.05   0.00   0.05
     5   6    -0.00  -0.02   0.01     0.02   0.03   0.04    -0.01   0.00   0.01
     6   6    -0.01  -0.01  -0.01     0.06  -0.03  -0.05     0.03  -0.04  -0.02
     7   6     0.00  -0.02   0.03    -0.03  -0.01   0.05     0.06   0.01   0.01
     8   6    -0.00  -0.00   0.04    -0.01  -0.02   0.03     0.05   0.05   0.04
     9   6    -0.00   0.03  -0.06    -0.01  -0.00  -0.02     0.03   0.06  -0.07
    10   6    -0.01   0.03  -0.03    -0.03   0.01  -0.02    -0.07   0.03  -0.07
    11   6     0.00  -0.01  -0.03    -0.01   0.03   0.00     0.04  -0.07  -0.04
    12   6     0.01  -0.00   0.02     0.01   0.04  -0.02     0.00  -0.08   0.03
    13   6     0.01  -0.01  -0.02     0.03   0.04   0.03    -0.01  -0.09  -0.03
    14   6     0.00  -0.01   0.01     0.02  -0.02  -0.03     0.02   0.02   0.03
    15   7     0.00   0.03  -0.01     0.01  -0.01   0.01     0.06   0.03   0.02
    16   6    -0.00   0.01   0.02     0.01  -0.01   0.00     0.02  -0.05   0.01
    17   6     0.00   0.00  -0.03    -0.01  -0.01   0.00    -0.05  -0.06   0.02
    18   7    -0.02   0.03   0.05    -0.03   0.01   0.01    -0.09  -0.03   0.02
    19   6     0.01  -0.01   0.05     0.02   0.00  -0.00    -0.02  -0.01  -0.02
    20   6    -0.01  -0.06  -0.05     0.03   0.02  -0.00     0.01   0.08   0.01
    21   6    -0.00  -0.03   0.05     0.01   0.01  -0.00    -0.02   0.06  -0.01
    22   6     0.00  -0.05  -0.04     0.00   0.01  -0.00    -0.02   0.04  -0.00
    23   6    -0.02   0.02   0.03    -0.10   0.11   0.13    -0.05   0.05   0.07
    24   6     0.01   0.04   0.04    -0.02  -0.09  -0.08     0.04   0.13   0.12
    25   6     0.04   0.14   0.14    -0.00  -0.00  -0.00    -0.03  -0.05  -0.05
    26   6    -0.00   0.00  -0.01    -0.01  -0.02   0.03    -0.01   0.03  -0.04
    27   6    -0.01  -0.01  -0.01     0.01   0.03   0.02    -0.03  -0.04  -0.02
    28   6     0.00   0.03   0.05    -0.02  -0.05  -0.11    -0.00   0.08   0.15
    29   6    -0.01  -0.01  -0.01     0.00   0.03   0.02    -0.03  -0.03  -0.03
    30   6    -0.01   0.01  -0.02    -0.01  -0.02   0.03    -0.00   0.05  -0.04
    31   6     0.01  -0.00  -0.01    -0.03   0.02  -0.04    -0.01   0.01  -0.02
    32   6     0.01  -0.00  -0.00     0.03  -0.04  -0.03     0.02  -0.02  -0.02
    33   6    -0.01   0.02   0.03    -0.07   0.07   0.17    -0.03   0.04   0.08
    34   6     0.01   0.00  -0.01     0.03  -0.04  -0.03     0.02  -0.01  -0.02
    35   6     0.01   0.01  -0.01    -0.02   0.02  -0.04    -0.01   0.02  -0.02
    36   6    -0.00   0.02  -0.06    -0.00  -0.00   0.00     0.01  -0.04   0.03
    37   6    -0.02  -0.04  -0.02    -0.00   0.00  -0.00     0.03   0.00   0.02
    38   6     0.02   0.10   0.19    -0.00   0.00  -0.00     0.02  -0.04  -0.06
    39   6    -0.01  -0.04  -0.02    -0.00   0.00   0.00     0.03   0.02   0.00
    40   6     0.00   0.01  -0.06    -0.00  -0.00   0.00     0.02  -0.01   0.01
    41   7    -0.01   0.02   0.00    -0.05   0.05   0.01    -0.02   0.03   0.01
    42   7     0.00   0.03   0.00    -0.01  -0.04  -0.01     0.00   0.06   0.01
    43   7     0.02   0.09   0.01    -0.00  -0.00  -0.00     0.01  -0.03  -0.00
    44   6     0.01   0.02  -0.00    -0.00  -0.03   0.02     0.00   0.05  -0.02
    45   6     0.01  -0.01   0.00     0.00   0.02  -0.00     0.00  -0.03   0.00
    46   6    -0.01  -0.01  -0.00     0.01   0.02  -0.00    -0.00  -0.03  -0.00
    47   6     0.00   0.02  -0.00    -0.01  -0.03   0.02     0.02   0.03  -0.02
    48   6    -0.01   0.01  -0.00    -0.05   0.03  -0.02    -0.02   0.01  -0.01
    49   6     0.01  -0.00  -0.00     0.03  -0.02   0.00     0.01  -0.01  -0.00
    50   6    -0.00  -0.01   0.00     0.02  -0.03   0.00     0.01  -0.01   0.00
    51   6    -0.02   0.01  -0.00    -0.03   0.04  -0.02    -0.01   0.02  -0.01
    52   6     0.04   0.07  -0.02     0.00  -0.00   0.00    -0.01  -0.03   0.01
    53   6     0.03  -0.05   0.00     0.00   0.00  -0.00    -0.01   0.01  -0.00
    54   6    -0.04  -0.03   0.00     0.00   0.00  -0.00    -0.01   0.01   0.00
    55   6     0.00   0.08  -0.02    -0.00  -0.00   0.00    -0.01  -0.01   0.01
    56   6    -0.02  -0.02  -0.00     0.02   0.03  -0.00    -0.02  -0.03   0.01
    57   6    -0.02  -0.02  -0.02     0.04   0.02   0.03    -0.04  -0.02  -0.04
    58   6    -0.01   0.00   0.01     0.02  -0.01  -0.02    -0.02   0.00   0.02
    59   6    -0.01   0.02   0.00     0.02  -0.03   0.00    -0.02   0.03  -0.00
    60   6     0.03   0.02   0.00    -0.03  -0.01   0.00     0.04   0.03   0.00
    61   6     0.01   0.00   0.01    -0.02   0.00  -0.02     0.02   0.00   0.03
    62   6     0.01  -0.03  -0.02    -0.02   0.04   0.03     0.03  -0.05  -0.04
    63   6     0.01  -0.03  -0.00    -0.00   0.03  -0.00     0.01  -0.05   0.00
    64   6     0.01  -0.02  -0.00     0.03  -0.05   0.01     0.01  -0.03   0.00
    65   6     0.00  -0.02  -0.01     0.00  -0.07  -0.05     0.00  -0.03  -0.02
    66   6    -0.01  -0.00   0.01    -0.02  -0.02   0.03    -0.01  -0.01   0.01
    67   6    -0.02   0.00   0.00    -0.05  -0.00   0.00    -0.03   0.00   0.00
    68   6     0.00   0.02   0.00     0.00   0.06  -0.00     0.00   0.02  -0.00
    69   6     0.00   0.00   0.00     0.02   0.02   0.03     0.01   0.01   0.01
    70   6     0.02  -0.00  -0.01     0.07  -0.00  -0.05     0.03  -0.00  -0.02
    71   6     0.02  -0.01  -0.00     0.05  -0.03   0.00     0.02  -0.01   0.00
    72   6    -0.07  -0.07  -0.00     0.00   0.00  -0.00    -0.00   0.01  -0.00
    73   6    -0.08  -0.06  -0.06     0.00   0.00   0.00     0.01   0.00   0.01
    74   6    -0.03   0.02   0.03     0.00  -0.00  -0.00     0.01   0.00  -0.01
    75   6    -0.05   0.08   0.01     0.00  -0.00  -0.00     0.01  -0.00   0.00
    76   6     0.09   0.05   0.01     0.00   0.00   0.00    -0.02  -0.02  -0.00
    77   6     0.03   0.00   0.03    -0.00   0.00  -0.00    -0.01  -0.00  -0.01
    78   6     0.04  -0.10  -0.06    -0.00   0.00   0.00    -0.01   0.03   0.02
    79   6     0.02  -0.10  -0.00     0.00   0.00  -0.00    -0.01   0.03  -0.00
    80   1     0.02   0.06   0.01     0.01  -0.02   0.03     0.08   0.05   0.05
    81   1     0.00   0.00   0.01     0.01  -0.09   0.01    -0.01  -0.09  -0.10
    82   1    -0.01  -0.03   0.02     0.03   0.09   0.09    -0.00   0.05  -0.05
    83   1    -0.02  -0.02  -0.01     0.11  -0.02  -0.08     0.06  -0.03  -0.08
    84   1     0.00  -0.01  -0.09    -0.03   0.05  -0.06     0.10  -0.13  -0.06
    85   1     0.01  -0.01  -0.07     0.08   0.05   0.03    -0.08  -0.10  -0.09
    86   1     0.01  -0.02  -0.03     0.05  -0.04  -0.10    -0.03   0.07   0.00
    87   1     0.04  -0.01   0.04     0.00  -0.00  -0.01    -0.10  -0.03  -0.05
    88   1     0.00  -0.08  -0.15     0.02   0.02  -0.00    -0.01   0.11   0.01
    89   1    -0.03  -0.05  -0.04     0.02   0.01  -0.01     0.07   0.06  -0.03
    90   1    -0.02  -0.04  -0.08     0.04   0.07   0.18    -0.08  -0.08  -0.25
    91   1    -0.03  -0.06  -0.07     0.07   0.15   0.16    -0.11  -0.21  -0.22
    92   1    -0.01  -0.07  -0.07     0.01   0.17   0.16    -0.03  -0.24  -0.23
    93   1    -0.02  -0.04  -0.08    -0.01   0.08   0.18    -0.02  -0.10  -0.25
    94   1     0.03  -0.02  -0.05     0.11  -0.08  -0.27     0.06  -0.03  -0.14
    95   1     0.04  -0.03  -0.05     0.21  -0.16  -0.25     0.11  -0.08  -0.13
    96   1     0.03  -0.03  -0.05     0.15  -0.22  -0.24     0.08  -0.11  -0.13
    97   1     0.04  -0.02  -0.05     0.07  -0.13  -0.27     0.04  -0.05  -0.13
    98   1    -0.03  -0.16  -0.31    -0.00   0.00   0.01     0.03   0.03   0.11
    99   1    -0.04  -0.26  -0.25    -0.00   0.01   0.00     0.02   0.09   0.09
   100   1    -0.12  -0.24  -0.25     0.00   0.01   0.01     0.07   0.09   0.09
   101   1    -0.08  -0.15  -0.31    -0.00   0.00   0.01     0.06   0.02   0.10
   102   1    -0.02  -0.02   0.01     0.02   0.02  -0.02    -0.01  -0.02   0.04
   103   1    -0.02  -0.02  -0.02     0.03   0.03   0.05    -0.04  -0.03  -0.06
   104   1     0.02  -0.00   0.02    -0.02   0.00  -0.05     0.02  -0.01   0.07
   105   1    -0.02   0.01   0.01     0.03  -0.01  -0.01    -0.04  -0.00   0.01
   106   1     0.03   0.01   0.01    -0.03   0.01  -0.01     0.04  -0.01   0.01
   107   1    -0.02   0.01   0.02     0.02  -0.01  -0.05    -0.03   0.02   0.07
   108   1    -0.00  -0.03  -0.03    -0.01   0.04   0.05     0.01  -0.06  -0.07
   109   1     0.01  -0.03   0.00    -0.00   0.03  -0.02     0.00  -0.04   0.03
   110   1     0.01  -0.02   0.00     0.02  -0.04   0.04     0.01  -0.02   0.02
   111   1     0.01  -0.02  -0.02     0.02  -0.06  -0.07     0.01  -0.03  -0.03
   112   1     0.01   0.02   0.01     0.02   0.03   0.07     0.01   0.02   0.04
   113   1    -0.02  -0.00   0.01    -0.03  -0.03   0.01    -0.02  -0.02   0.00
   114   1     0.01   0.01   0.00     0.03   0.04   0.01     0.02   0.01   0.00
   115   1    -0.01  -0.01   0.01    -0.03  -0.02   0.08    -0.01  -0.01   0.04
   116   1     0.02  -0.01  -0.01     0.06  -0.02  -0.07     0.03  -0.01  -0.03
   117   1     0.02  -0.01   0.00     0.04  -0.02   0.03     0.01  -0.01   0.02
   118   1    -0.07  -0.08   0.02     0.00   0.00  -0.00    -0.00   0.00  -0.02
   119   1    -0.06  -0.09  -0.09     0.00   0.00   0.00     0.01   0.00   0.02
   120   1     0.07  -0.00   0.08    -0.00  -0.00  -0.00     0.00   0.01  -0.02
   121   1    -0.06   0.07   0.02     0.00  -0.00  -0.00     0.01   0.01  -0.00
   122   1     0.09   0.03   0.03     0.00   0.00   0.00    -0.02  -0.01  -0.00
   123   1    -0.07   0.05   0.08    -0.00   0.00  -0.00     0.02  -0.02  -0.03
   124   1    -0.00  -0.12  -0.09    -0.00  -0.00   0.00    -0.00   0.03   0.03
   125   1     0.02  -0.11   0.02     0.00  -0.00  -0.00    -0.01   0.03  -0.01
   126  17    -0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
                     91                     92                     93
                      A                      A                      A
 Frequencies --    577.4263               577.4422               577.6520
 Red. masses --      4.2475                 4.2588                 4.2321
 Frc consts  --      0.8344                 0.8367                 0.8320
 IR Inten    --      2.0716                 3.5069                 0.9886
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.01     0.00   0.00  -0.00     0.00  -0.00  -0.00
     2   6    -0.01   0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     3   6     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     4   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
     5   6     0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00   0.00   0.00
     6   6    -0.01   0.01   0.00     0.00   0.00   0.00     0.00   0.00  -0.00
     7   6     0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     8   6    -0.00  -0.00  -0.01     0.00   0.00  -0.00    -0.00  -0.01  -0.00
     9   6    -0.00  -0.00   0.00    -0.00  -0.01   0.00    -0.00  -0.00   0.00
    10   6     0.01  -0.00   0.01     0.00  -0.01   0.00     0.00  -0.00   0.00
    11   6     0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.01   0.00
    12   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.01  -0.01
    13   6    -0.00   0.00   0.00    -0.00  -0.00   0.00     0.00   0.01   0.00
    14   6    -0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    15   7    -0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    16   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    17   6     0.00   0.00  -0.00    -0.01   0.00   0.00     0.00   0.00  -0.00
    18   7     0.01   0.00  -0.00     0.00  -0.01  -0.00     0.00   0.00  -0.00
    19   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
    20   6    -0.00  -0.01  -0.00     0.01   0.01   0.00     0.00  -0.00  -0.00
    21   6     0.00  -0.00   0.00    -0.00   0.00  -0.01     0.00  -0.00  -0.00
    22   6     0.00  -0.00   0.00    -0.01   0.01   0.00     0.00  -0.00   0.00
    23   6     0.03  -0.03  -0.00     0.01  -0.00  -0.00    -0.01   0.01   0.00
    24   6    -0.00  -0.01   0.00    -0.00  -0.00   0.00    -0.01  -0.04  -0.01
    25   6     0.00   0.01   0.00    -0.01  -0.04  -0.00     0.00   0.00   0.00
    26   6    -0.01  -0.00   0.01    -0.00  -0.00   0.00    -0.02  -0.02   0.03
    27   6    -0.00   0.01  -0.01    -0.00   0.00  -0.00    -0.02   0.04  -0.04
    28   6     0.00   0.00  -0.01     0.00   0.00  -0.01     0.00  -0.00  -0.06
    29   6     0.01   0.00  -0.01     0.00   0.00  -0.00     0.04   0.02  -0.04
    30   6     0.00  -0.01   0.01     0.00  -0.00   0.00     0.01  -0.03   0.04
    31   6     0.03  -0.00   0.03     0.00  -0.00   0.01    -0.01   0.00  -0.01
    32   6    -0.00   0.04  -0.04    -0.00   0.01  -0.01     0.00  -0.01   0.01
    33   6     0.00  -0.00  -0.06    -0.00  -0.00  -0.01    -0.00   0.00   0.02
    34   6    -0.04   0.00  -0.04    -0.01  -0.00  -0.01     0.01  -0.00   0.01
    35   6     0.00  -0.03   0.03     0.00  -0.01   0.01    -0.00   0.01  -0.01
    36   6    -0.00   0.01  -0.01     0.01  -0.02   0.04    -0.00   0.00  -0.00
    37   6    -0.01  -0.00   0.01     0.04   0.02  -0.04    -0.00  -0.00   0.00
    38   6    -0.00   0.00   0.01     0.00  -0.00  -0.06    -0.00   0.00   0.00
    39   6     0.00  -0.01   0.01    -0.02   0.04  -0.04    -0.00  -0.00   0.00
    40   6     0.01   0.00  -0.01    -0.02  -0.01   0.04     0.00   0.00  -0.00
    41   7     0.04  -0.03   0.23     0.01  -0.01   0.05    -0.01   0.01  -0.06
    42   7    -0.00  -0.01   0.06    -0.00  -0.01   0.03    -0.02  -0.05   0.23
    43   7     0.00   0.01  -0.05    -0.02  -0.05   0.24     0.00   0.00  -0.01
    44   6     0.00   0.01  -0.04     0.00   0.00  -0.02     0.01   0.04  -0.16
    45   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.01  -0.01   0.02
    46   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.01   0.02
    47   6     0.01   0.01  -0.04     0.00   0.00  -0.02     0.02   0.04  -0.15
    48   6    -0.03   0.02  -0.15    -0.01   0.00  -0.03     0.01  -0.01   0.04
    49   6     0.00  -0.01   0.02     0.00  -0.00   0.00    -0.00   0.00  -0.00
    50   6     0.01  -0.00   0.02     0.00  -0.00   0.00    -0.00   0.00  -0.01
    51   6    -0.02   0.03  -0.15    -0.00   0.01  -0.03     0.01  -0.01   0.04
    52   6    -0.00  -0.01   0.03     0.01   0.04  -0.16    -0.00  -0.00   0.01
    53   6     0.00   0.00  -0.00    -0.01  -0.01   0.02     0.00   0.00  -0.00
    54   6    -0.00   0.00  -0.00     0.00  -0.01   0.02     0.00   0.00  -0.00
    55   6    -0.00  -0.01   0.04     0.02   0.04  -0.16    -0.00  -0.00   0.01
    56   6    -0.00  -0.01   0.02    -0.00  -0.00   0.01    -0.01  -0.02   0.09
    57   6     0.00   0.01  -0.04     0.00   0.00  -0.02     0.01   0.05  -0.15
    58   6    -0.00  -0.01   0.03    -0.00  -0.00   0.02    -0.01  -0.04   0.14
    59   6     0.00   0.01  -0.02     0.00   0.00  -0.01     0.01   0.02  -0.10
    60   6     0.00   0.01  -0.03    -0.00   0.00  -0.01     0.00   0.02  -0.10
    61   6    -0.00  -0.01   0.04    -0.00  -0.00   0.02    -0.01  -0.04   0.14
    62   6     0.00   0.01  -0.04     0.00   0.00  -0.02     0.02   0.05  -0.16
    63   6    -0.00  -0.01   0.02    -0.00  -0.00   0.01    -0.01  -0.02   0.10
    64   6     0.02  -0.02   0.10     0.00  -0.00   0.02    -0.00   0.00  -0.03
    65   6    -0.04   0.03  -0.15    -0.01   0.01  -0.03     0.01  -0.01   0.04
    66   6     0.03  -0.03   0.14     0.01  -0.01   0.03    -0.01   0.01  -0.04
    67   6    -0.01   0.02  -0.10    -0.00   0.00  -0.02     0.00  -0.01   0.03
    68   6    -0.02   0.01  -0.10    -0.00   0.00  -0.02     0.01  -0.00   0.03
    69   6     0.03  -0.02   0.14     0.01  -0.00   0.03    -0.01   0.01  -0.04
    70   6    -0.03   0.03  -0.15    -0.01   0.01  -0.03     0.01  -0.01   0.04
    71   6     0.02  -0.02   0.09     0.00  -0.00   0.02    -0.00   0.00  -0.03
    72   6     0.00   0.01  -0.02    -0.01  -0.02   0.10     0.00   0.00  -0.01
    73   6    -0.00  -0.01   0.04     0.01   0.05  -0.16    -0.00  -0.00   0.01
    74   6     0.00   0.01  -0.03    -0.02  -0.04   0.15     0.00   0.00  -0.01
    75   6    -0.00  -0.01   0.02     0.01   0.02  -0.10    -0.00  -0.00   0.01
    76   6     0.00  -0.00   0.02     0.00   0.02  -0.10     0.00  -0.00   0.01
    77   6     0.00   0.01  -0.03    -0.01  -0.04   0.14     0.00   0.00  -0.01
    78   6    -0.00  -0.01   0.03     0.02   0.04  -0.15    -0.00  -0.00   0.01
    79   6     0.00   0.00  -0.02    -0.01  -0.02   0.10     0.00   0.00  -0.00
    80   1    -0.00  -0.00  -0.00    -0.01  -0.01  -0.00    -0.00  -0.00  -0.00
    81   1    -0.01   0.01   0.01     0.00   0.00  -0.00    -0.00  -0.00   0.01
    82   1    -0.00  -0.01   0.00     0.00   0.00   0.00     0.00   0.01   0.01
    83   1    -0.01   0.00   0.02    -0.00   0.00   0.00     0.01   0.00   0.00
    84   1     0.00   0.00   0.01     0.00  -0.00   0.01    -0.00   0.01   0.00
    85   1    -0.00   0.00   0.01    -0.00  -0.00   0.01     0.01   0.01   0.02
    86   1    -0.00   0.00   0.01    -0.00   0.00   0.00     0.00  -0.01  -0.00
    87   1     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
    88   1    -0.00  -0.01  -0.00     0.00   0.01   0.02     0.00  -0.00   0.00
    89   1    -0.00  -0.01   0.00    -0.00   0.01   0.00    -0.00  -0.00   0.00
    90   1     0.00   0.00   0.03     0.00   0.00   0.01     0.02   0.02   0.13
    91   1     0.01   0.03   0.01     0.00   0.01   0.00     0.05   0.12   0.04
    92   1     0.00   0.03   0.01     0.00   0.01   0.00     0.02   0.13   0.04
    93   1    -0.00   0.01   0.03     0.00   0.00   0.01    -0.01   0.03   0.13
    94   1    -0.03   0.01   0.12    -0.01  -0.00   0.02     0.01  -0.00  -0.04
    95   1    -0.10   0.08   0.04    -0.02   0.02   0.01     0.03  -0.03  -0.02
    96   1    -0.08   0.10   0.04    -0.02   0.02   0.01     0.02  -0.03  -0.02
    97   1    -0.01   0.03   0.12    -0.00   0.00   0.03     0.00  -0.01  -0.04
    98   1     0.00  -0.01  -0.03    -0.00   0.03   0.12    -0.00  -0.00  -0.01
    99   1    -0.01  -0.03  -0.01     0.02   0.12   0.04    -0.00  -0.01  -0.00
   100   1    -0.01  -0.03  -0.01     0.05   0.11   0.04    -0.00  -0.01  -0.00
   101   1    -0.01  -0.00  -0.03     0.02   0.02   0.12    -0.00  -0.00  -0.01
   102   1    -0.00  -0.01   0.06    -0.00  -0.01   0.03    -0.02  -0.05   0.24
   103   1     0.00   0.02  -0.05     0.00   0.01  -0.02     0.02   0.06  -0.21
   104   1    -0.01  -0.03   0.10    -0.00  -0.01   0.04    -0.04  -0.11   0.39
   105   1    -0.00  -0.01   0.01    -0.00  -0.00   0.01    -0.00  -0.04   0.06
   106   1    -0.00  -0.01   0.01    -0.00  -0.00   0.01    -0.02  -0.03   0.05
   107   1    -0.01  -0.03   0.10    -0.00  -0.01   0.04    -0.03  -0.12   0.41
   108   1     0.01   0.02  -0.06     0.00   0.01  -0.02     0.02   0.07  -0.23
   109   1    -0.01  -0.01   0.06    -0.00  -0.01   0.03    -0.02  -0.05   0.24
   110   1     0.04  -0.03   0.24     0.01  -0.01   0.05    -0.01   0.01  -0.06
   111   1    -0.05   0.04  -0.22    -0.01   0.01  -0.04     0.01  -0.01   0.06
   112   1     0.08  -0.08   0.40     0.02  -0.02   0.08    -0.02   0.02  -0.11
   113   1     0.03  -0.02   0.06     0.01  -0.00   0.01    -0.01   0.00  -0.02
   114   1     0.02  -0.03   0.06     0.00  -0.00   0.01    -0.00   0.01  -0.02
   115   1     0.09  -0.07   0.40     0.02  -0.02   0.08    -0.03   0.02  -0.11
   116   1    -0.05   0.05  -0.22    -0.01   0.01  -0.05     0.01  -0.01   0.06
   117   1     0.04  -0.04   0.24     0.01  -0.01   0.05    -0.01   0.01  -0.06
   118   1     0.00   0.01  -0.05    -0.02  -0.05   0.25     0.00   0.00  -0.01
   119   1    -0.00  -0.01   0.05     0.02   0.07  -0.23    -0.00  -0.00   0.01
   120   1     0.01   0.02  -0.09    -0.04  -0.11   0.42     0.00   0.01  -0.02
   121   1     0.00   0.01  -0.01    -0.00  -0.03   0.05     0.00   0.00  -0.00
   122   1     0.00   0.01  -0.01    -0.02  -0.03   0.06     0.00   0.00  -0.00
   123   1     0.01   0.03  -0.09    -0.03  -0.11   0.41     0.00   0.01  -0.02
   124   1    -0.01  -0.01   0.05     0.02   0.06  -0.22    -0.00  -0.00   0.01
   125   1     0.00   0.01  -0.05    -0.02  -0.05   0.24     0.00   0.00  -0.01
   126  17     0.00   0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
                     94                     95                     96
                      A                      A                      A
 Frequencies --    583.0330               583.0955               583.1775
 Red. masses --      3.8802                 3.8833                 3.8846
 Frc consts  --      0.7771                 0.7779                 0.7784
 IR Inten    --      0.7588                 0.4306                 0.6028
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
     2   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
     3   6     0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
     4   6    -0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
     5   6    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
     6   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
     7   6     0.00  -0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     8   6     0.00   0.00   0.00     0.00  -0.00   0.00     0.00   0.00   0.00
     9   6    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
    10   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    11   6     0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
    12   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    13   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    14   6     0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
    15   7    -0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    16   6    -0.00  -0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    17   6    -0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    18   7    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    19   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    20   6     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    21   6     0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    22   6     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    23   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    24   6     0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    25   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    26   6    -0.00  -0.00   0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    27   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    28   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    29   6    -0.00   0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    30   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    31   6     0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    32   6     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    33   6     0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
    34   6     0.00   0.00  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    35   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    36   6     0.00   0.00  -0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    37   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    38   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00   0.00   0.00
    39   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    40   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    41   7     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    42   7    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    43   7    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    44   6     0.00   0.00  -0.00    -0.00  -0.01   0.04     0.00   0.00  -0.00
    45   6    -0.00  -0.00   0.01     0.01   0.04  -0.15    -0.00  -0.00   0.01
    46   6     0.00   0.00  -0.01    -0.01  -0.04   0.15     0.00   0.00  -0.01
    47   6    -0.00  -0.00   0.00     0.01   0.01  -0.05    -0.00  -0.00   0.00
    48   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.01   0.01  -0.04
    49   6    -0.00  -0.00  -0.00     0.00  -0.00   0.01     0.03  -0.03   0.15
    50   6     0.00  -0.00   0.00    -0.00   0.00  -0.01    -0.03   0.03  -0.15
    51   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.01  -0.01   0.04
    52   6     0.00   0.01  -0.05     0.00   0.00  -0.00    -0.00  -0.00   0.00
    53   6    -0.01  -0.04   0.15    -0.00  -0.00   0.01    -0.00   0.00  -0.00
    54   6     0.01   0.04  -0.15     0.00   0.00  -0.01    -0.00  -0.00   0.00
    55   6    -0.00  -0.01   0.04    -0.00  -0.00   0.00     0.00   0.00   0.00
    56   6     0.00   0.00  -0.01    -0.01  -0.03   0.12     0.00   0.00  -0.01
    57   6    -0.00  -0.00   0.01     0.01   0.05  -0.18    -0.00  -0.00   0.01
    58   6     0.00   0.00  -0.01    -0.02  -0.05   0.18     0.00   0.00  -0.01
    59   6    -0.00  -0.00   0.01     0.01   0.04  -0.13    -0.00  -0.00   0.01
    60   6     0.00   0.00  -0.01    -0.01  -0.03   0.12     0.00   0.00  -0.01
    61   6    -0.00  -0.00   0.01     0.02   0.05  -0.18    -0.00  -0.00   0.01
    62   6     0.00   0.00  -0.01    -0.02  -0.05   0.18     0.00   0.00  -0.01
    63   6    -0.00  -0.00   0.01     0.01   0.03  -0.12    -0.00  -0.00   0.01
    64   6     0.00  -0.00   0.00    -0.00   0.00  -0.01    -0.03   0.02  -0.12
    65   6    -0.00  -0.00  -0.00     0.00  -0.00   0.01     0.04  -0.03   0.18
    66   6     0.00  -0.00   0.00    -0.00   0.00  -0.01    -0.04   0.04  -0.18
    67   6    -0.00   0.00  -0.00     0.00  -0.00   0.01     0.03  -0.02   0.13
    68   6     0.00  -0.00   0.00    -0.00   0.00  -0.01    -0.03   0.02  -0.13
    69   6    -0.00   0.00  -0.00     0.00  -0.00   0.01     0.04  -0.04   0.18
    70   6     0.00  -0.00   0.00    -0.00   0.00  -0.01    -0.04   0.03  -0.18
    71   6    -0.00   0.00  -0.00     0.00  -0.00   0.01     0.03  -0.02   0.12
    72   6     0.01   0.03  -0.12     0.00   0.00  -0.01    -0.00  -0.00  -0.00
    73   6    -0.01  -0.05   0.18    -0.00  -0.00   0.01    -0.00  -0.00  -0.00
    74   6     0.02   0.05  -0.18     0.00   0.00  -0.01    -0.00   0.00   0.00
    75   6    -0.01  -0.03   0.13    -0.00  -0.00   0.01    -0.00   0.00   0.00
    76   6     0.01   0.03  -0.13     0.00   0.00  -0.01    -0.00  -0.00   0.00
    77   6    -0.02  -0.05   0.18    -0.00  -0.00   0.01     0.00   0.00  -0.00
    78   6     0.02   0.05  -0.18     0.00   0.00  -0.01     0.00  -0.00   0.00
    79   6    -0.01  -0.03   0.12    -0.00  -0.00   0.01    -0.00   0.00  -0.00
    80   1    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    81   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    82   1    -0.00   0.00  -0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    83   1     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    84   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    85   1    -0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    86   1     0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    87   1    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
    88   1    -0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
    89   1     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    90   1    -0.00  -0.00  -0.00     0.00   0.00   0.01    -0.00  -0.00  -0.00
    91   1    -0.00  -0.00  -0.00    -0.00   0.01   0.01    -0.00  -0.00  -0.00
    92   1     0.00  -0.00  -0.00    -0.01  -0.00  -0.01     0.00  -0.00  -0.00
    93   1    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
    94   1     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    95   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00   0.01   0.01
    96   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.01   0.00  -0.01
    97   1     0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    98   1    -0.00   0.01   0.01     0.00  -0.00   0.00     0.00  -0.00  -0.00
    99   1     0.01   0.01   0.01     0.00  -0.00   0.00    -0.00  -0.00  -0.00
   100   1     0.01  -0.00  -0.01     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
   101   1    -0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
   102   1     0.00   0.00  -0.01    -0.00  -0.02   0.07     0.00   0.00  -0.00
   103   1    -0.00  -0.01   0.03     0.03   0.11  -0.41    -0.00  -0.01   0.02
   104   1     0.00   0.01  -0.03    -0.03  -0.11   0.38     0.00   0.01  -0.02
   105   1    -0.00  -0.00   0.01     0.01   0.05  -0.18    -0.00  -0.00   0.01
   106   1     0.00   0.00  -0.01    -0.02  -0.05   0.18     0.00   0.00  -0.01
   107   1    -0.00  -0.01   0.03     0.03   0.11  -0.36    -0.00  -0.00   0.02
   108   1     0.00   0.01  -0.03    -0.04  -0.11   0.40     0.00   0.00  -0.02
   109   1    -0.00  -0.00   0.00     0.01   0.02  -0.06    -0.00  -0.00   0.00
   110   1     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.01   0.01  -0.07
   111   1    -0.00   0.00  -0.00     0.00  -0.00   0.02     0.09  -0.07   0.40
   112   1     0.00   0.00   0.00    -0.00   0.00  -0.02    -0.08   0.07  -0.37
   113   1    -0.00   0.00  -0.00     0.00  -0.00   0.01     0.04  -0.03   0.18
   114   1     0.00  -0.00   0.00    -0.00   0.00  -0.01    -0.04   0.03  -0.18
   115   1    -0.00   0.00  -0.00     0.00  -0.00   0.02     0.08  -0.07   0.37
   116   1     0.00  -0.00   0.00    -0.00   0.00  -0.02    -0.08   0.08  -0.41
   117   1    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.01  -0.01   0.07
   118   1     0.00   0.02  -0.06     0.00   0.00  -0.01     0.00   0.00  -0.00
   119   1    -0.03  -0.11   0.40    -0.00  -0.01   0.03    -0.00  -0.00  -0.00
   120   1     0.03   0.10  -0.37     0.00   0.01  -0.03     0.00   0.00  -0.00
   121   1    -0.01  -0.05   0.18    -0.00  -0.00   0.01    -0.00   0.00  -0.00
   122   1     0.02   0.05  -0.18     0.00   0.00  -0.01     0.00  -0.00   0.00
   123   1    -0.04  -0.11   0.38    -0.00  -0.01   0.03     0.00   0.00  -0.00
   124   1     0.04   0.11  -0.41     0.00   0.01  -0.03    -0.00  -0.00   0.00
   125   1    -0.01  -0.02   0.07    -0.00  -0.00   0.01    -0.00   0.00  -0.00
   126  17    -0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
                     97                     98                     99
                      A                      A                      A
 Frequencies --    607.0923               611.8805               619.3979
 Red. masses --      5.8744                 4.0862                 7.3923
 Frc consts  --      1.2756                 0.9014                 1.6710
 IR Inten    --     69.0699                 6.5456                19.2002
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.09  -0.10   0.05     0.01   0.05   0.21     0.02  -0.10   0.05
     2   6    -0.00  -0.10  -0.01    -0.01   0.03  -0.03     0.05  -0.07  -0.01
     3   6     0.03  -0.11  -0.02     0.01  -0.01  -0.09    -0.07   0.07  -0.02
     4   6     0.08   0.06   0.04     0.00  -0.02   0.15    -0.06   0.07   0.05
     5   6    -0.07  -0.00   0.00     0.05  -0.02   0.02    -0.15   0.05   0.00
     6   6    -0.09  -0.02  -0.00     0.02   0.02  -0.05     0.00  -0.10  -0.00
     7   6     0.01  -0.11  -0.02    -0.00  -0.01  -0.08    -0.00   0.10  -0.04
     8   6    -0.02  -0.07   0.04    -0.02   0.01   0.17     0.11   0.01   0.04
     9   6     0.07   0.20  -0.04    -0.03  -0.02  -0.12     0.15  -0.06  -0.03
    10   6     0.11   0.13  -0.02    -0.05  -0.00  -0.09     0.12  -0.06  -0.03
    11   6     0.04   0.05  -0.01    -0.00  -0.02  -0.02    -0.03   0.07  -0.01
    12   6     0.01   0.07   0.06     0.01  -0.01   0.20    -0.12   0.03   0.06
    13   6    -0.03   0.09  -0.02     0.01  -0.01  -0.04    -0.07  -0.05  -0.02
    14   6    -0.08  -0.09   0.01     0.01   0.01   0.01    -0.04  -0.02   0.01
    15   7     0.01   0.26  -0.01     0.00  -0.05   0.01     0.10  -0.01   0.01
    16   6    -0.08  -0.08   0.01     0.02  -0.01   0.03     0.08   0.10   0.01
    17   6     0.05  -0.07  -0.01    -0.02  -0.01  -0.00     0.06   0.03   0.01
    18   7     0.06  -0.06   0.01    -0.05   0.03   0.03     0.14  -0.04   0.00
    19   6    -0.11  -0.15   0.01     0.03  -0.00   0.01    -0.09   0.25  -0.02
    20   6    -0.08  -0.01  -0.01     0.04   0.02  -0.01    -0.19  -0.02   0.02
    21   6     0.05   0.04   0.02     0.00   0.01   0.04    -0.17  -0.07  -0.03
    22   6     0.09   0.01  -0.00    -0.01   0.01  -0.01    -0.05  -0.16   0.00
    23   6    -0.06  -0.06  -0.01     0.03   0.01  -0.04    -0.04  -0.02  -0.02
    24   6    -0.01  -0.01  -0.01     0.01  -0.01  -0.04    -0.08   0.02  -0.01
    25   6     0.02  -0.04  -0.02     0.00  -0.00  -0.00    -0.09   0.04  -0.02
    26   6    -0.01  -0.01  -0.01     0.00  -0.01  -0.04     0.04   0.04  -0.05
    27   6    -0.00   0.03   0.00     0.00   0.02   0.04     0.05   0.05  -0.02
    28   6     0.01  -0.01  -0.02    -0.02  -0.03  -0.03     0.09  -0.03  -0.01
    29   6     0.02   0.01   0.01     0.00   0.04   0.03     0.03  -0.04   0.04
    30   6     0.01  -0.03  -0.00    -0.01   0.01  -0.05     0.01  -0.05   0.02
    31   6     0.05  -0.01   0.03    -0.01  -0.01  -0.06    -0.02  -0.00  -0.00
    32   6     0.06   0.00   0.04    -0.04   0.03   0.03     0.03  -0.03   0.03
    33   6     0.08   0.07  -0.01     0.00  -0.04  -0.04     0.05   0.02   0.01
    34   6     0.00   0.07  -0.02    -0.03   0.01   0.04     0.02   0.03  -0.00
    35   6    -0.01   0.06  -0.05     0.01  -0.02  -0.04    -0.01   0.07  -0.04
    36   6    -0.01  -0.02  -0.02     0.00   0.00  -0.01    -0.01  -0.02   0.04
    37   6    -0.00   0.04   0.01     0.00   0.01   0.00    -0.01  -0.09   0.04
    38   6    -0.03  -0.00  -0.03    -0.00  -0.00  -0.00     0.11  -0.05   0.01
    39   6    -0.01   0.01   0.02    -0.00   0.01   0.00     0.08   0.00  -0.03
    40   6    -0.02  -0.04   0.01    -0.00   0.00  -0.01     0.09   0.07  -0.05
    41   7     0.05   0.04  -0.00     0.03  -0.05  -0.00     0.03   0.02   0.01
    42   7     0.00  -0.02  -0.01    -0.02  -0.05  -0.00     0.06  -0.04  -0.00
    43   7    -0.02  -0.01   0.00    -0.00  -0.01  -0.00     0.08  -0.02   0.02
    44   6     0.01  -0.01  -0.00     0.04  -0.03  -0.01     0.02  -0.05  -0.01
    45   6     0.01   0.01   0.00     0.04   0.03   0.01     0.01   0.02   0.01
    46   6    -0.01   0.01   0.00    -0.02   0.04   0.01    -0.02   0.02   0.00
    47   6    -0.01  -0.00   0.00    -0.05  -0.01  -0.01    -0.00   0.03   0.01
    48   6     0.04  -0.01  -0.01     0.04   0.02  -0.01     0.02  -0.00  -0.01
    49   6    -0.01  -0.00   0.00    -0.00   0.05   0.01    -0.01   0.01   0.00
    50   6    -0.02  -0.01  -0.00    -0.05   0.01   0.01    -0.01   0.00   0.00
    51   6    -0.02   0.02   0.01    -0.01  -0.06  -0.01    -0.01   0.01   0.00
    52   6     0.01  -0.00   0.00     0.01  -0.00  -0.00    -0.01  -0.03  -0.01
    53   6     0.02   0.01   0.00     0.01   0.00   0.00    -0.02   0.00  -0.00
    54   6    -0.00   0.01   0.00    -0.00   0.01   0.00    -0.01  -0.01  -0.01
    55   6    -0.02  -0.01  -0.01    -0.01  -0.00  -0.00     0.04   0.04   0.01
    56   6    -0.01   0.00  -0.00    -0.00   0.02   0.01    -0.01  -0.02  -0.01
    57   6     0.01   0.00   0.00     0.04   0.01   0.00    -0.01  -0.02  -0.01
    58   6     0.01  -0.00  -0.00     0.02  -0.04  -0.00     0.00   0.01   0.00
    59   6    -0.00   0.00   0.00    -0.00  -0.01  -0.01    -0.02   0.04   0.01
    60   6    -0.01  -0.00  -0.00     0.01  -0.00  -0.01    -0.03  -0.04  -0.02
    61   6    -0.01  -0.00  -0.00    -0.03  -0.02  -0.00    -0.03  -0.03  -0.01
    62   6    -0.01   0.01   0.00    -0.03   0.03   0.00    -0.03   0.05   0.01
    63   6     0.01   0.01   0.00     0.01   0.01   0.01    -0.00   0.03   0.01
    64   6     0.01  -0.03  -0.01    -0.02   0.01   0.01     0.01  -0.01  -0.00
    65   6     0.01  -0.03  -0.01     0.01   0.06   0.00     0.01  -0.01  -0.01
    66   6    -0.02   0.01   0.00     0.04  -0.00  -0.01    -0.00  -0.00   0.00
    67   6    -0.05   0.01   0.01     0.02  -0.01  -0.01    -0.03   0.00   0.00
    68   6     0.01  -0.05  -0.02     0.01   0.01  -0.00     0.01  -0.02  -0.01
    69   6     0.01  -0.03  -0.00    -0.00  -0.03  -0.00     0.01  -0.02  -0.00
    70   6    -0.05   0.01   0.01    -0.03  -0.01   0.00    -0.03   0.00  -0.00
    71   6    -0.03   0.01   0.01     0.00   0.02   0.00    -0.02   0.00   0.01
    72   6     0.00   0.01   0.01    -0.00   0.00   0.00    -0.02  -0.03  -0.01
    73   6     0.02   0.01   0.00     0.01   0.00   0.00    -0.05  -0.03  -0.02
    74   6     0.01  -0.02  -0.00     0.00  -0.00  -0.00    -0.01   0.04   0.01
    75   6     0.00  -0.02  -0.01    -0.00  -0.00  -0.00    -0.02   0.06   0.01
    76   6     0.01   0.01   0.00     0.00  -0.00  -0.00    -0.05  -0.04  -0.02
    77   6    -0.01   0.00  -0.00    -0.00  -0.00  -0.00    -0.02  -0.03  -0.00
    78   6    -0.01   0.00   0.00    -0.00   0.00   0.00    -0.01   0.04   0.00
    79   6     0.01  -0.00  -0.00     0.00   0.00   0.00    -0.01   0.03   0.01
    80   1     0.17   0.45  -0.00    -0.01  -0.07   0.09     0.01  -0.03   0.03
    81   1     0.02  -0.00  -0.04    -0.01   0.04  -0.23     0.02  -0.15  -0.06
    82   1    -0.10  -0.13  -0.06     0.05  -0.01  -0.24    -0.13   0.12  -0.09
    83   1    -0.02  -0.00  -0.10    -0.03   0.01  -0.40     0.13  -0.06  -0.11
    84   1    -0.01   0.11  -0.08    -0.01  -0.01  -0.23     0.06  -0.02  -0.07
    85   1     0.07   0.11  -0.11     0.00  -0.01  -0.38    -0.02  -0.04  -0.11
    86   1    -0.04  -0.16  -0.05     0.02   0.00  -0.24    -0.12   0.05  -0.06
    87   1    -0.14  -0.16  -0.01     0.02  -0.01  -0.07    -0.09   0.25  -0.04
    88   1    -0.19   0.11  -0.06     0.05   0.01  -0.09    -0.05  -0.17   0.03
    89   1     0.15   0.02  -0.04     0.01   0.02  -0.08    -0.13  -0.17   0.02
    90   1     0.00  -0.01   0.02    -0.01   0.05  -0.00     0.10  -0.01  -0.03
    91   1     0.01   0.06   0.04     0.01   0.09   0.12    -0.01   0.05   0.02
    92   1     0.02   0.05   0.04     0.04   0.09   0.12    -0.02   0.01   0.04
    93   1     0.01  -0.01   0.02     0.01   0.05  -0.00     0.10  -0.03  -0.00
    94   1     0.08   0.09   0.01    -0.05   0.02  -0.00     0.01   0.06  -0.02
    95   1     0.00  -0.01   0.03    -0.07   0.09   0.13     0.02  -0.03   0.03
    96   1    -0.03   0.01   0.02    -0.08   0.07   0.13     0.00  -0.02   0.02
    97   1     0.06   0.10  -0.02    -0.06   0.00   0.00     0.00   0.07  -0.03
    98   1    -0.05   0.01   0.05     0.01   0.00  -0.00     0.11  -0.00   0.01
    99   1     0.01   0.09   0.07     0.01   0.01   0.01    -0.06  -0.05   0.02
   100   1     0.04   0.07   0.08    -0.00   0.01   0.01    -0.02  -0.02  -0.01
   101   1    -0.02  -0.00   0.05    -0.01   0.01  -0.00     0.15   0.01  -0.02
   102   1    -0.01  -0.01  -0.01    -0.03  -0.03  -0.00    -0.03  -0.04  -0.01
   103   1     0.01  -0.00   0.01     0.04   0.02   0.01    -0.01  -0.03  -0.01
   104   1     0.00  -0.00  -0.01    -0.01  -0.04   0.00     0.05   0.01   0.00
   105   1     0.01   0.02   0.01     0.03   0.03   0.02    -0.01   0.06   0.01
   106   1    -0.01   0.01   0.01     0.00   0.05   0.02    -0.03  -0.00   0.00
   107   1     0.00  -0.01  -0.01    -0.02  -0.02   0.00     0.02  -0.07  -0.00
   108   1    -0.01   0.01   0.01    -0.02   0.03   0.00    -0.00   0.07   0.02
   109   1     0.01  -0.01  -0.01     0.01  -0.05  -0.01    -0.00  -0.00   0.01
   110   1     0.01  -0.03  -0.01     0.01  -0.04  -0.00     0.01  -0.02   0.00
   111   1     0.03  -0.03  -0.01    -0.01   0.06   0.01     0.01  -0.01  -0.01
   112   1     0.01   0.05   0.00     0.03  -0.04   0.00     0.01   0.02   0.01
   113   1    -0.05   0.01   0.01    -0.01   0.04   0.02    -0.03   0.00   0.00
   114   1    -0.00  -0.04  -0.01    -0.05   0.04   0.02    -0.00  -0.02  -0.00
   115   1     0.06  -0.00   0.00     0.01  -0.03   0.00     0.04  -0.01   0.01
   116   1    -0.05   0.03   0.01    -0.03  -0.01   0.00    -0.03   0.02   0.00
   117   1    -0.02   0.01   0.01     0.05  -0.01  -0.01    -0.01  -0.00   0.01
   118   1    -0.01  -0.00   0.00    -0.00  -0.00  -0.00    -0.01  -0.02   0.00
   119   1     0.02   0.02   0.00     0.01   0.00   0.00    -0.04  -0.05  -0.02
   120   1    -0.02  -0.02   0.00    -0.00  -0.00  -0.00     0.06   0.03   0.02
   121   1     0.02  -0.00   0.01     0.00   0.00   0.00    -0.03   0.04   0.00
   122   1     0.01   0.02   0.01     0.00   0.01   0.00    -0.05  -0.04  -0.01
   123   1    -0.01   0.00   0.00    -0.00  -0.00  -0.00     0.04  -0.06   0.01
   124   1    -0.01  -0.00   0.00    -0.00   0.00   0.00     0.02   0.06   0.01
   125   1     0.01  -0.02  -0.01     0.00  -0.01  -0.00    -0.01   0.04   0.02
   126  17     0.00  -0.01   0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
                    100                    101                    102
                      A                      A                      A
 Frequencies --    623.7877               626.0644               627.0591
 Red. masses --      7.5751                 6.4950                 6.6971
 Frc consts  --      1.7367                 1.4999                 1.5515
 IR Inten    --     30.2467                 3.2062                 0.1795
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06  -0.03  -0.00     0.02   0.01  -0.02     0.00  -0.01   0.05
     2   6    -0.06  -0.05   0.00     0.02   0.02   0.01     0.00  -0.01  -0.01
     3   6     0.01  -0.09  -0.00    -0.01   0.04  -0.03    -0.00  -0.00  -0.03
     4   6     0.04   0.00  -0.01    -0.02  -0.00  -0.02    -0.00   0.00  -0.00
     5   6     0.02   0.01  -0.00    -0.01  -0.00  -0.01    -0.00   0.00   0.02
     6   6    -0.04   0.05   0.00     0.01  -0.02   0.01     0.00  -0.01  -0.02
     7   6    -0.01  -0.09   0.01    -0.00   0.04   0.02    -0.00  -0.00   0.03
     8   6    -0.08   0.03  -0.00     0.03  -0.00   0.01     0.00  -0.01   0.01
     9   6    -0.11   0.01  -0.00     0.03  -0.02  -0.03     0.01   0.00  -0.00
    10   6    -0.06   0.14   0.01     0.02  -0.05   0.05     0.00   0.00  -0.00
    11   6     0.01  -0.08   0.00    -0.01   0.02  -0.00     0.00   0.01   0.01
    12   6     0.10  -0.04  -0.01    -0.03   0.01  -0.01    -0.00   0.01  -0.04
    13   6     0.04   0.04   0.00    -0.01  -0.02  -0.00     0.00   0.01   0.02
    14   6     0.04   0.07  -0.00    -0.00  -0.02   0.00    -0.00  -0.01  -0.02
    15   7     0.06  -0.19   0.00    -0.01   0.04  -0.02     0.00   0.00   0.00
    16   6     0.10  -0.03   0.00    -0.02   0.02   0.03     0.00   0.00  -0.00
    17   6     0.21   0.01  -0.03    -0.05   0.00  -0.09     0.00  -0.00   0.00
    18   7    -0.01   0.32   0.00     0.01  -0.08   0.04     0.00  -0.00  -0.00
    19   6    -0.12   0.17   0.01     0.04  -0.02   0.05    -0.00   0.01  -0.00
    20   6    -0.18   0.01  -0.01     0.04  -0.02  -0.05    -0.01   0.00   0.00
    21   6    -0.02  -0.03   0.04    -0.01   0.00   0.16    -0.01  -0.00  -0.00
    22   6     0.17  -0.21   0.00    -0.05   0.03  -0.04     0.00  -0.01   0.00
    23   6    -0.04  -0.03   0.00     0.01   0.01  -0.00    -0.02   0.02   0.04
    24   6     0.07  -0.02  -0.00    -0.03   0.00  -0.01    -0.01  -0.03  -0.05
    25   6    -0.01  -0.01  -0.01     0.01   0.04   0.05    -0.00  -0.00  -0.00
    26   6    -0.02  -0.03   0.04     0.01   0.01  -0.01     0.00   0.02   0.03
    27   6    -0.04  -0.04   0.02     0.01   0.00  -0.01    -0.01  -0.04  -0.01
    28   6    -0.08   0.02   0.00     0.03  -0.01  -0.00    -0.00  -0.03  -0.02
    29   6    -0.02   0.04  -0.03     0.00  -0.02   0.01    -0.01  -0.04  -0.01
    30   6    -0.01   0.05  -0.03     0.00  -0.01   0.02     0.01   0.01   0.03
    31   6     0.03  -0.00   0.03    -0.01   0.00  -0.01     0.01  -0.01  -0.03
    32   6     0.04   0.00   0.01    -0.01  -0.00  -0.01    -0.02   0.03   0.01
    33   6     0.04   0.04   0.00    -0.01  -0.02   0.00    -0.02   0.02   0.02
    34   6    -0.01   0.03  -0.03     0.01  -0.01   0.01    -0.03   0.03   0.01
    35   6    -0.02   0.02  -0.02     0.01  -0.01   0.01     0.01  -0.01  -0.03
    36   6    -0.04  -0.02  -0.03    -0.00  -0.02  -0.06    -0.00   0.00   0.00
    37   6    -0.02   0.02   0.04     0.03   0.06   0.03    -0.00  -0.01   0.00
    38   6     0.00  -0.02  -0.02     0.01   0.02   0.02     0.00  -0.00  -0.00
    39   6     0.03   0.01   0.03     0.01   0.07   0.02     0.00  -0.00  -0.00
    40   6     0.02  -0.04  -0.04    -0.00  -0.01  -0.06     0.00   0.00   0.00
    41   7     0.02   0.03  -0.00    -0.01  -0.01   0.00     0.04  -0.04  -0.00
    42   7    -0.05   0.02   0.00     0.02   0.00   0.00     0.02   0.06   0.00
    43   7    -0.01  -0.05   0.01    -0.03  -0.10  -0.01     0.00   0.00   0.00
    44   6    -0.01   0.04   0.01    -0.01  -0.01  -0.00    -0.12   0.03   0.00
    45   6    -0.00  -0.01  -0.00    -0.01  -0.02  -0.01    -0.08  -0.16  -0.05
    46   6     0.01  -0.01  -0.00    -0.00  -0.02  -0.01    -0.01  -0.18  -0.05
    47   6    -0.01  -0.03  -0.01     0.02   0.01   0.00     0.12  -0.03   0.01
    48   6     0.01  -0.01  -0.00    -0.01   0.00   0.00     0.08   0.08  -0.01
    49   6    -0.00  -0.01  -0.00     0.00  -0.00  -0.00    -0.09   0.14   0.04
    50   6     0.01  -0.01  -0.00     0.01   0.00  -0.00    -0.14   0.09   0.05
    51   6    -0.00   0.03   0.01     0.01  -0.00  -0.00    -0.08  -0.08  -0.00
    52   6     0.05  -0.03  -0.01     0.16  -0.07  -0.01    -0.01   0.00  -0.00
    53   6     0.04   0.05   0.02     0.13   0.18   0.06    -0.01  -0.01  -0.00
    54   6    -0.01   0.07   0.02    -0.00   0.22   0.06    -0.00  -0.01  -0.00
    55   6    -0.06   0.01  -0.01    -0.17   0.03  -0.01     0.01  -0.00   0.00
    56   6     0.01   0.02   0.01    -0.02  -0.01  -0.00    -0.12   0.00  -0.01
    57   6     0.02   0.02   0.01    -0.02  -0.01  -0.00    -0.10   0.03   0.01
    58   6     0.00  -0.01  -0.00    -0.00   0.03   0.01     0.02   0.18   0.05
    59   6     0.02  -0.04  -0.01     0.01   0.01   0.01     0.13  -0.01   0.01
    60   6     0.03   0.03   0.01    -0.02  -0.00  -0.00    -0.12   0.05   0.01
    61   6     0.02   0.03   0.01     0.00   0.01   0.00     0.08   0.16   0.05
    62   6     0.02  -0.04  -0.01     0.01   0.01   0.00     0.10  -0.02   0.01
    63   6     0.00  -0.03  -0.01     0.01   0.00   0.00     0.10  -0.05  -0.01
    64   6     0.01  -0.02  -0.01    -0.00   0.00   0.00     0.06   0.09   0.01
    65   6     0.00  -0.03  -0.00    -0.00   0.01   0.00     0.07   0.06  -0.01
    66   6    -0.02   0.01   0.00     0.00  -0.00   0.00     0.14  -0.10  -0.04
    67   6    -0.03   0.01   0.01     0.01   0.00  -0.00    -0.08  -0.10  -0.01
    68   6     0.00  -0.03  -0.01    -0.00   0.01   0.00     0.10   0.07  -0.01
    69   6     0.00  -0.01  -0.00    -0.00   0.01   0.00     0.10  -0.14  -0.04
    70   6    -0.02   0.01   0.01     0.01   0.00  -0.00    -0.07  -0.07  -0.01
    71   6    -0.01   0.01   0.00     0.01  -0.00  -0.00    -0.09  -0.06   0.01
    72   6     0.03   0.01   0.01     0.12   0.00   0.02    -0.01  -0.00  -0.00
    73   6     0.05  -0.00  -0.00     0.13  -0.03  -0.01    -0.01   0.00   0.00
    74   6     0.00  -0.06  -0.01    -0.01  -0.21  -0.05     0.00   0.01   0.00
    75   6    -0.04   0.00  -0.01    -0.14   0.02  -0.01     0.01   0.00   0.00
    76   6     0.03  -0.02  -0.01     0.12  -0.07  -0.01    -0.01   0.00  -0.00
    77   6    -0.04  -0.06  -0.01    -0.11  -0.19  -0.05     0.01   0.01   0.00
    78   6    -0.04   0.03  -0.00    -0.13   0.06  -0.01     0.01  -0.00   0.00
    79   6    -0.02   0.02   0.01    -0.10   0.07   0.02     0.01  -0.00  -0.00
    80   1     0.05  -0.34   0.02    -0.03   0.07  -0.01     0.00   0.00   0.01
    81   1    -0.04   0.00   0.02     0.01  -0.01   0.08     0.00  -0.01  -0.02
    82   1     0.01  -0.05   0.01    -0.01   0.02   0.03    -0.00   0.01   0.03
    83   1    -0.03   0.05   0.01     0.01  -0.02   0.06     0.02  -0.00  -0.07
    84   1    -0.04  -0.02   0.01     0.01  -0.00  -0.04    -0.00   0.01   0.01
    85   1    -0.04   0.02   0.01     0.01  -0.01  -0.00     0.01   0.01   0.07
    86   1     0.11   0.02  -0.01    -0.03   0.01  -0.01     0.00  -0.01  -0.03
    87   1    -0.20   0.16  -0.01     0.07  -0.02  -0.06    -0.01   0.01  -0.00
    88   1    -0.14  -0.03  -0.08     0.05  -0.03  -0.28    -0.00  -0.00   0.01
    89   1     0.21  -0.20  -0.02    -0.08   0.03  -0.09     0.00  -0.01   0.00
    90   1    -0.08   0.02   0.01     0.03   0.01   0.01     0.01   0.09   0.11
    91   1     0.02  -0.04   0.00    -0.01   0.01   0.00    -0.01   0.00   0.05
    92   1     0.02  -0.00  -0.01    -0.01  -0.00   0.01     0.01  -0.00   0.05
    93   1    -0.08   0.04  -0.01     0.03  -0.00   0.02     0.04   0.09   0.12
    94   1     0.05   0.04   0.01    -0.02  -0.01   0.00     0.05  -0.07  -0.11
    95   1     0.01  -0.02  -0.01     0.00   0.00   0.00    -0.01  -0.01  -0.05
    96   1    -0.02  -0.02  -0.02     0.01   0.00   0.00     0.01   0.00  -0.05
    97   1     0.03   0.04  -0.01    -0.01  -0.01   0.01     0.07  -0.05  -0.11
    98   1    -0.04  -0.00   0.00    -0.02  -0.10  -0.16     0.01   0.01   0.01
    99   1    -0.02   0.08   0.09     0.01   0.03  -0.02    -0.00  -0.00   0.01
   100   1     0.06   0.07   0.10     0.00   0.03  -0.03    -0.00   0.00   0.00
   101   1     0.05  -0.02   0.00    -0.02  -0.10  -0.16     0.01   0.01   0.01
   102   1     0.02   0.02   0.01    -0.00   0.01   0.00    -0.03   0.14   0.02
   103   1     0.01   0.03   0.01    -0.01  -0.03  -0.01    -0.01  -0.12  -0.03
   104   1    -0.04  -0.01  -0.00     0.01   0.03   0.01    -0.01   0.18   0.03
   105   1     0.02  -0.05  -0.01    -0.00  -0.01  -0.00     0.04  -0.15  -0.04
   106   1     0.03   0.01   0.00    -0.02  -0.02  -0.01    -0.11  -0.11  -0.04
   107   1    -0.02   0.05   0.01     0.02   0.00   0.00     0.10   0.15   0.03
   108   1    -0.00  -0.05  -0.01    -0.00   0.00   0.00    -0.05  -0.11  -0.03
   109   1     0.00  -0.01  -0.00     0.01   0.02   0.01     0.10   0.11   0.02
   110   1    -0.00  -0.01  -0.01    -0.00   0.01   0.00     0.13  -0.04  -0.02
   111   1     0.02  -0.03  -0.01    -0.00   0.01   0.00    -0.09   0.06   0.02
   112   1    -0.01   0.04  -0.00    -0.00  -0.01   0.00     0.15  -0.08  -0.03
   113   1    -0.02  -0.00   0.00     0.01  -0.00  -0.00    -0.15   0.04   0.04
   114   1     0.00  -0.03  -0.01     0.00   0.01  -0.00    -0.04   0.14   0.03
   115   1     0.03   0.01  -0.00    -0.01   0.00   0.00     0.08  -0.16  -0.03
   116   1    -0.02   0.01   0.01     0.01  -0.01  -0.00    -0.07   0.10   0.02
   117   1    -0.02   0.01   0.00     0.00   0.00  -0.00     0.04  -0.13  -0.02
   118   1    -0.01  -0.06  -0.00    -0.00  -0.18  -0.03    -0.00   0.01   0.00
   119   1     0.02   0.04   0.01     0.04   0.14   0.03    -0.00  -0.01  -0.00
   120   1    -0.00  -0.07   0.00     0.00  -0.22  -0.03     0.00   0.01   0.00
   121   1     0.00   0.06   0.02    -0.02   0.20   0.05     0.00  -0.01  -0.00
   122   1     0.03   0.05   0.02     0.12   0.15   0.05    -0.01  -0.01  -0.00
   123   1    -0.03  -0.06   0.00    -0.12  -0.18  -0.04     0.01   0.01   0.00
   124   1     0.00   0.05   0.01     0.04   0.14   0.03    -0.00  -0.01  -0.00
   125   1    -0.02  -0.05   0.00    -0.10  -0.15  -0.03     0.01   0.01   0.00
   126  17    -0.00   0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
                    103                    104                    105
                      A                      A                      A
 Frequencies --    628.4481               634.4278               634.4937
 Red. masses --      6.2724                 5.7508                 6.6673
 Frc consts  --      1.4596                 1.3638                 1.5815
 IR Inten    --      2.2753                 2.7385                 2.5258
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.01   0.06     0.02  -0.04  -0.01    -0.02   0.10  -0.04
     2   6    -0.01   0.00  -0.00     0.04  -0.01   0.01    -0.07   0.05   0.01
     3   6     0.00  -0.01  -0.03    -0.02   0.06  -0.04     0.05  -0.11   0.00
     4   6     0.00  -0.01   0.04    -0.04   0.03  -0.02     0.08  -0.08  -0.04
     5   6     0.01  -0.00   0.00    -0.08   0.03  -0.01     0.18  -0.07  -0.00
     6   6     0.00   0.01  -0.01     0.00  -0.05   0.01     0.00   0.10   0.01
     7   6     0.00  -0.01  -0.03    -0.01   0.07   0.03     0.01  -0.12   0.04
     8   6     0.00  -0.01   0.05     0.02   0.04   0.02    -0.03  -0.11  -0.03
     9   6     0.01  -0.00  -0.03    -0.00  -0.04  -0.05     0.03   0.06  -0.00
    10   6    -0.00  -0.00  -0.02     0.03  -0.03   0.06    -0.07   0.05   0.05
    11   6     0.01   0.01  -0.00    -0.03  -0.03  -0.00     0.04   0.08   0.00
    12   6    -0.01   0.01   0.06     0.00  -0.04  -0.00    -0.03   0.09  -0.04
    13   6    -0.01   0.01  -0.01     0.02  -0.04  -0.00    -0.06   0.09  -0.00
    14   6    -0.01  -0.01   0.00     0.06   0.06   0.00    -0.12  -0.15   0.01
    15   7     0.01   0.00   0.00    -0.05  -0.01  -0.02     0.12   0.01  -0.01
    16   6     0.01   0.00   0.01    -0.03   0.03   0.05     0.10  -0.03   0.02
    17   6    -0.01  -0.00  -0.00     0.02   0.04  -0.14    -0.05  -0.08  -0.07
    18   7    -0.00  -0.01   0.01     0.05   0.00   0.05    -0.11   0.00   0.02
    19   6     0.00   0.01   0.00    -0.00  -0.01   0.06     0.03   0.07   0.03
    20   6     0.00   0.01  -0.00    -0.01  -0.06  -0.07     0.02   0.08  -0.03
    21   6    -0.01   0.00   0.01     0.03  -0.02   0.24    -0.12   0.03   0.11
    22   6    -0.01  -0.00  -0.00     0.01   0.00  -0.04    -0.06  -0.06  -0.02
    23   6     0.02  -0.01  -0.05    -0.01  -0.01  -0.02     0.04   0.03   0.04
    24   6    -0.01  -0.02  -0.05     0.01  -0.00  -0.02    -0.05   0.01   0.04
    25   6    -0.01   0.00  -0.01     0.04   0.01   0.02    -0.09   0.04   0.01
    26   6     0.01   0.02  -0.00     0.03   0.01   0.00    -0.05  -0.00   0.00
    27   6     0.00  -0.02   0.00     0.01  -0.03   0.01    -0.02   0.07  -0.04
    28   6    -0.00  -0.04  -0.03    -0.01  -0.01   0.00     0.06   0.02   0.00
    29   6    -0.01  -0.02   0.01    -0.03  -0.01   0.00     0.06  -0.01  -0.00
    30   6     0.00   0.01   0.00    -0.02   0.03  -0.01     0.04  -0.08   0.04
    31   6    -0.02   0.01  -0.00    -0.02  -0.01  -0.00     0.05   0.02   0.00
    32   6     0.01  -0.02   0.01     0.01  -0.03   0.01    -0.02   0.07  -0.04
    33   6     0.02  -0.03  -0.03     0.02   0.00   0.00    -0.06  -0.01  -0.00
    34   6     0.02  -0.02   0.01     0.03   0.01   0.00    -0.06  -0.03  -0.00
    35   6    -0.01   0.01   0.00    -0.00   0.04  -0.01     0.01  -0.09   0.04
    36   6     0.00  -0.00   0.00    -0.00  -0.00  -0.08    -0.00  -0.07   0.01
    37   6    -0.00  -0.01   0.00     0.03   0.07   0.03     0.03  -0.04   0.05
    38   6     0.01  -0.01  -0.00    -0.04  -0.01  -0.03     0.10  -0.04  -0.01
    39   6     0.00  -0.00  -0.00    -0.01   0.05   0.05     0.04   0.08  -0.02
    40   6     0.01   0.01  -0.00    -0.02  -0.04  -0.06     0.02   0.04  -0.08
    41   7    -0.02   0.02  -0.00     0.00   0.01   0.01    -0.02  -0.03  -0.02
    42   7     0.01   0.02  -0.00    -0.00   0.02   0.01     0.04  -0.01  -0.02
    43   7     0.01   0.00  -0.00    -0.06  -0.10  -0.02     0.06  -0.07  -0.01
    44   6    -0.09   0.00  -0.00    -0.01   0.02   0.00     0.01  -0.02  -0.00
    45   6    -0.05  -0.14  -0.04    -0.01   0.01  -0.00     0.00   0.01   0.01
    46   6    -0.03  -0.15  -0.04     0.02   0.00   0.00    -0.01   0.01   0.00
    47   6     0.08  -0.04  -0.00     0.01   0.01   0.00     0.00   0.02   0.01
    48   6    -0.06  -0.08  -0.00    -0.00  -0.00   0.00    -0.01   0.01   0.00
    49   6     0.10  -0.13  -0.04    -0.01  -0.01  -0.00     0.01   0.01   0.00
    50   6     0.13  -0.10  -0.04     0.00   0.01  -0.00    -0.01  -0.00   0.00
    51   6     0.08   0.05  -0.00    -0.00   0.01   0.00     0.00  -0.03  -0.00
    52   6    -0.01  -0.00  -0.00     0.01  -0.08  -0.02     0.01  -0.09  -0.02
    53   6    -0.01  -0.02  -0.01     0.06  -0.10  -0.02     0.02  -0.04  -0.01
    54   6    -0.00  -0.02  -0.01    -0.10  -0.04  -0.02    -0.06  -0.02  -0.01
    55   6     0.01  -0.00   0.00    -0.07  -0.09  -0.03    -0.00  -0.00  -0.00
    56   6    -0.13   0.02  -0.01     0.02  -0.01   0.00    -0.00  -0.01  -0.01
    57   6    -0.07   0.03   0.01    -0.00  -0.00  -0.00    -0.01  -0.02   0.00
    58   6     0.03   0.16   0.04    -0.01  -0.01  -0.00    -0.00   0.01  -0.00
    59   6     0.13  -0.02   0.01    -0.01   0.00  -0.00    -0.02   0.03   0.01
    60   6    -0.13   0.04   0.00     0.02   0.00   0.00    -0.01  -0.02  -0.00
    61   6     0.05   0.15   0.04     0.01  -0.01   0.00    -0.01  -0.02  -0.01
    62   6     0.07   0.00   0.01     0.00  -0.01  -0.01    -0.01   0.02   0.01
    63   6     0.12  -0.05  -0.01    -0.02  -0.00  -0.00    -0.00   0.02   0.00
    64   6    -0.09  -0.11  -0.01     0.01   0.00  -0.00    -0.02   0.01   0.00
    65   6    -0.07  -0.04   0.01     0.00  -0.01  -0.00    -0.00   0.03   0.01
    66   6    -0.13   0.11   0.04    -0.00  -0.01   0.00     0.02  -0.00  -0.01
    67   6     0.10   0.11   0.00    -0.01  -0.00   0.00     0.03  -0.01  -0.00
    68   6    -0.11  -0.09   0.01     0.01  -0.00  -0.00    -0.00   0.02   0.01
    69   6    -0.11   0.14   0.04     0.01  -0.00   0.00    -0.01   0.01  -0.00
    70   6     0.05   0.07   0.01     0.00   0.00  -0.00     0.02  -0.01   0.00
    71   6     0.11   0.09  -0.01    -0.01  -0.01   0.00     0.02   0.00  -0.01
    72   6    -0.02   0.00  -0.00    -0.18   0.09   0.01    -0.10   0.01  -0.01
    73   6    -0.01   0.00   0.00     0.06   0.08   0.03    -0.02   0.00   0.00
    74   6     0.00   0.02   0.01     0.08   0.08   0.03     0.03   0.07   0.02
    75   6     0.02   0.00   0.00     0.14  -0.08  -0.01     0.04   0.03   0.01
    76   6    -0.02   0.00  -0.00    -0.13   0.04  -0.00    -0.11  -0.03  -0.02
    77   6     0.01   0.02   0.00    -0.01   0.13   0.03    -0.03   0.03   0.01
    78   6     0.01   0.00   0.00     0.01   0.07   0.02    -0.01   0.09   0.02
    79   6     0.02  -0.00  -0.00     0.20  -0.05   0.00     0.10   0.02   0.01
    80   1     0.01   0.00   0.02    -0.06  -0.02   0.00     0.13   0.02  -0.02
    81   1    -0.01   0.01  -0.07     0.03  -0.06   0.11    -0.05   0.15   0.08
    82   1     0.01  -0.01  -0.08    -0.07   0.07   0.03     0.16  -0.16   0.08
    83   1    -0.01   0.00  -0.12     0.06  -0.03   0.06    -0.14   0.06   0.11
    84   1     0.00   0.02  -0.07     0.01  -0.06  -0.06    -0.02   0.15  -0.01
    85   1     0.01   0.01  -0.11    -0.03  -0.06  -0.03     0.09   0.12   0.06
    86   1    -0.01  -0.02  -0.08     0.02   0.10  -0.03    -0.06  -0.22   0.06
    87   1    -0.00   0.01  -0.02     0.06  -0.00  -0.10    -0.07   0.05  -0.04
    88   1     0.01  -0.00  -0.03    -0.02  -0.05  -0.43     0.09  -0.00  -0.20
    89   1    -0.01  -0.00  -0.02    -0.05  -0.01  -0.15     0.04  -0.04  -0.06
    90   1     0.01   0.09   0.08     0.01   0.04   0.02     0.01  -0.08  -0.01
    91   1    -0.01   0.04   0.09     0.01  -0.02   0.02    -0.03   0.04  -0.07
    92   1     0.02   0.03   0.09    -0.01  -0.01   0.02     0.00   0.01  -0.06
    93   1     0.05   0.08   0.08    -0.01   0.05   0.01     0.04  -0.11   0.01
    94   1    -0.06   0.08   0.09    -0.02   0.03   0.01     0.04  -0.08  -0.01
    95   1    -0.02   0.04   0.10     0.00  -0.02   0.02     0.00   0.05  -0.07
    96   1    -0.04   0.02   0.10     0.01  -0.01   0.02    -0.01   0.01  -0.06
    97   1    -0.09   0.06   0.09    -0.01   0.04   0.00     0.02  -0.12   0.00
    98   1     0.02   0.01   0.01    -0.02  -0.02  -0.09     0.10  -0.07  -0.03
    99   1    -0.00   0.00   0.01     0.06   0.09   0.09    -0.03   0.03   0.04
   100   1    -0.00   0.01   0.01     0.02   0.09   0.09    -0.04   0.08   0.02
   101   1     0.01   0.01   0.01    -0.05  -0.02  -0.08     0.09  -0.03  -0.06
   102   1    -0.07   0.12   0.01     0.03   0.00   0.01    -0.01  -0.02  -0.02
   103   1     0.02  -0.12  -0.02    -0.02   0.02  -0.00    -0.01  -0.02   0.00
   104   1    -0.01   0.16   0.03    -0.00  -0.01   0.00     0.03   0.01  -0.01
   105   1     0.06  -0.12  -0.02    -0.02  -0.01  -0.00    -0.01   0.03   0.01
   106   1    -0.12  -0.08  -0.03     0.02  -0.01  -0.00    -0.01  -0.00   0.00
   107   1     0.10   0.13   0.03    -0.01  -0.00   0.00     0.01  -0.03  -0.02
   108   1    -0.07  -0.08  -0.02     0.02  -0.00  -0.00     0.00   0.03   0.02
   109   1     0.12   0.07   0.02    -0.03   0.01   0.01     0.00   0.00  -0.01
   110   1    -0.15   0.00   0.02     0.01   0.01   0.00    -0.01  -0.01  -0.01
   111   1     0.11  -0.04  -0.03    -0.01  -0.01  -0.00    -0.01   0.03   0.01
   112   1    -0.16   0.07   0.04     0.00   0.01   0.00    -0.00  -0.03  -0.02
   113   1     0.16  -0.01  -0.03    -0.01  -0.01  -0.00     0.02   0.01   0.00
   114   1     0.01  -0.15  -0.03     0.01  -0.00  -0.00    -0.01   0.03   0.01
   115   1    -0.07   0.16   0.04     0.01  -0.00   0.00    -0.03  -0.00  -0.01
   116   1     0.04  -0.12  -0.02     0.00   0.01  -0.00     0.02  -0.02   0.00
   117   1    -0.00   0.15   0.01    -0.02  -0.01   0.01     0.02  -0.00  -0.02
   118   1    -0.01   0.01   0.00    -0.20   0.05  -0.00    -0.10   0.00  -0.01
   119   1    -0.00  -0.02  -0.00     0.14  -0.08  -0.01     0.03  -0.09  -0.02
   120   1     0.00   0.02   0.01    -0.06   0.08   0.03     0.05   0.07   0.02
   121   1     0.01  -0.01  -0.00     0.16  -0.05   0.01     0.04   0.03   0.01
   122   1    -0.02  -0.01  -0.00    -0.13   0.06   0.01    -0.11   0.00  -0.00
   123   1     0.02   0.01   0.00     0.07   0.08   0.03     0.07  -0.03   0.01
   124   1    -0.01  -0.01  -0.00    -0.16  -0.02  -0.02    -0.07   0.06   0.01
   125   1     0.02   0.01   0.00     0.20  -0.08  -0.01     0.09  -0.02   0.00
   126  17     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
                    106                    107                    108
                      A                      A                      A
 Frequencies --    638.6663               640.9652               643.3690
 Red. masses --      5.6057                 4.8642                 4.4070
 Frc consts  --      1.3472                 1.1774                 1.0748
 IR Inten    --      3.3657                10.7741                 2.9485
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.01  -0.08    -0.01   0.03   0.04     0.00   0.00  -0.03
     2   6    -0.01   0.02   0.01    -0.04   0.02   0.00    -0.00   0.00   0.01
     3   6     0.01   0.00   0.06     0.01  -0.04  -0.02    -0.00   0.00  -0.02
     4   6     0.00  -0.01   0.00     0.03  -0.02   0.03    -0.00  -0.00  -0.02
     5   6     0.00  -0.01  -0.03     0.06  -0.02  -0.00     0.00  -0.00  -0.01
     6   6    -0.01   0.01   0.03    -0.01   0.04  -0.00     0.00   0.00   0.01
     7   6     0.00  -0.00  -0.05     0.01  -0.04  -0.02     0.00   0.00   0.03
     8   6    -0.00   0.01  -0.01    -0.01  -0.03   0.03     0.00   0.00   0.00
     9   6    -0.01  -0.00   0.00     0.00   0.02  -0.01    -0.00  -0.00  -0.04
    10   6    -0.01  -0.00   0.00    -0.02   0.01  -0.01    -0.00  -0.01   0.06
    11   6    -0.00  -0.02  -0.01     0.02   0.03   0.00     0.00  -0.00  -0.00
    12   6     0.00  -0.01   0.07    -0.00   0.03   0.04     0.00  -0.00  -0.01
    13   6    -0.00  -0.02  -0.03    -0.02   0.04  -0.00    -0.00  -0.00  -0.00
    14   6     0.00   0.01   0.03    -0.04  -0.04  -0.00     0.00   0.00   0.01
    15   7    -0.00  -0.01  -0.00     0.02   0.00  -0.00    -0.01   0.01  -0.01
    16   6     0.00  -0.00  -0.00     0.02  -0.01   0.00    -0.01  -0.00   0.03
    17   6    -0.00   0.00  -0.00    -0.01  -0.02  -0.00    -0.01  -0.00  -0.11
    18   7    -0.01   0.01   0.00    -0.02  -0.00   0.00    -0.00  -0.01   0.04
    19   6     0.00  -0.00   0.00     0.01   0.00   0.00     0.01  -0.01   0.05
    20   6     0.00  -0.00  -0.00     0.01   0.02  -0.00     0.02   0.01  -0.06
    21   6     0.00  -0.00   0.00    -0.02   0.01   0.01     0.01   0.01   0.19
    22   6     0.00   0.00  -0.00    -0.01  -0.00  -0.00     0.00   0.03  -0.03
    23   6     0.03  -0.02  -0.08     0.03  -0.02  -0.12     0.00   0.00   0.01
    24   6     0.02   0.03   0.10    -0.01  -0.02  -0.10     0.00   0.00   0.01
    25   6     0.00   0.00   0.01    -0.02   0.00  -0.01     0.01  -0.02  -0.15
    26   6    -0.07  -0.05  -0.03     0.08   0.05  -0.01    -0.01  -0.01   0.01
    27   6    -0.04   0.10   0.00     0.05  -0.08   0.02    -0.01   0.01  -0.00
    28   6     0.01   0.05   0.01    -0.01  -0.06  -0.02     0.00   0.01   0.00
    29   6     0.08   0.08  -0.00    -0.08  -0.06   0.02     0.01   0.01  -0.01
    30   6     0.04  -0.07  -0.03    -0.04   0.07  -0.00     0.01  -0.01   0.00
    31   6    -0.06   0.01   0.03    -0.11   0.00  -0.01     0.01   0.00   0.00
    32   6     0.02  -0.08  -0.00     0.00  -0.12   0.02     0.00   0.01  -0.01
    33   6     0.02  -0.03  -0.01     0.04  -0.06  -0.02    -0.01   0.00   0.00
    34   6     0.09  -0.02  -0.00     0.12  -0.02   0.03    -0.01  -0.01  -0.00
    35   6    -0.00   0.06   0.03     0.01   0.10   0.00    -0.00  -0.01   0.01
    36   6     0.00  -0.01  -0.00    -0.01   0.00   0.01    -0.10   0.15  -0.07
    37   6     0.01   0.01  -0.00    -0.01  -0.02   0.01    -0.17  -0.06   0.07
    38   6    -0.00   0.01   0.00     0.02  -0.01  -0.00    -0.05  -0.11  -0.03
    39   6    -0.01   0.01  -0.00     0.01  -0.01  -0.00     0.10  -0.15   0.08
    40   6    -0.01  -0.01   0.00     0.02   0.02  -0.01     0.17   0.06  -0.06
    41   7    -0.08   0.07   0.03    -0.08   0.07   0.04    -0.00  -0.00  -0.00
    42   7    -0.04  -0.12  -0.04     0.03   0.08   0.03    -0.00  -0.01  -0.01
    43   7    -0.01  -0.01  -0.00     0.02   0.01   0.00     0.01   0.06   0.06
    44   6     0.05  -0.10  -0.02    -0.04   0.07   0.02     0.00  -0.01  -0.00
    45   6     0.10  -0.04  -0.00    -0.07   0.02  -0.00     0.01  -0.00   0.00
    46   6    -0.10   0.01  -0.00     0.07  -0.02  -0.00    -0.01   0.00   0.00
    47   6    -0.10  -0.07  -0.03     0.08   0.04   0.02    -0.01  -0.00  -0.00
    48   6    -0.10   0.01   0.02    -0.11  -0.00   0.02    -0.00   0.00   0.00
    49   6    -0.07  -0.05   0.00    -0.06  -0.07  -0.00    -0.00   0.00   0.00
    50   6     0.05   0.07   0.00     0.07   0.06  -0.00    -0.00   0.00   0.00
    51   6    -0.00   0.10   0.02     0.01   0.10   0.02     0.00  -0.00  -0.00
    52   6     0.00  -0.01  -0.00    -0.01   0.00   0.00    -0.04   0.06   0.01
    53   6     0.01  -0.00  -0.00    -0.01   0.00   0.00    -0.06   0.00  -0.01
    54   6    -0.01   0.00  -0.00     0.01  -0.00  -0.00     0.06  -0.03  -0.01
    55   6    -0.01  -0.01  -0.00     0.02   0.01   0.00     0.06   0.02   0.01
    56   6    -0.15   0.07   0.01     0.09  -0.05  -0.00    -0.01   0.01   0.00
    57   6     0.07   0.06   0.02    -0.06  -0.04  -0.02     0.01   0.00   0.00
    58   6     0.07   0.03   0.01    -0.05  -0.00  -0.00     0.00  -0.00  -0.00
    59   6     0.09  -0.05  -0.01    -0.05   0.04   0.00     0.00  -0.00  -0.00
    60   6    -0.09   0.01  -0.01     0.05  -0.00   0.00    -0.00   0.00   0.00
    61   6    -0.05   0.06   0.01     0.04  -0.03  -0.00    -0.00   0.00  -0.00
    62   6    -0.03   0.08   0.02     0.03  -0.05  -0.01    -0.00   0.00   0.00
    63   6     0.16  -0.02   0.01    -0.10   0.01  -0.00     0.01  -0.00  -0.00
    64   6     0.12   0.08  -0.01     0.11   0.07  -0.01    -0.00   0.00  -0.00
    65   6     0.01  -0.08  -0.02     0.01  -0.07  -0.02     0.00   0.00   0.00
    66   6    -0.01  -0.07  -0.01    -0.02  -0.06  -0.00     0.00  -0.00  -0.00
    67   6    -0.07  -0.05   0.01    -0.05  -0.03   0.00     0.00  -0.00   0.00
    68   6     0.04   0.08   0.00     0.03   0.07   0.00     0.00   0.00   0.00
    69   6     0.07   0.01  -0.01     0.05   0.03  -0.00    -0.00   0.00  -0.00
    70   6     0.08  -0.02  -0.02     0.08  -0.01  -0.02     0.00  -0.00   0.00
    71   6    -0.08  -0.12  -0.00    -0.07  -0.11  -0.00     0.00  -0.00  -0.00
    72   6    -0.01   0.01   0.00     0.01  -0.01  -0.00     0.07  -0.03   0.00
    73   6     0.01   0.01   0.00    -0.02  -0.01  -0.00    -0.04  -0.02  -0.02
    74   6     0.01   0.00   0.00    -0.01   0.01   0.00    -0.03   0.00   0.01
    75   6     0.01  -0.01  -0.00    -0.01   0.02   0.00    -0.02   0.01  -0.01
    76   6    -0.01   0.00   0.00     0.00  -0.01  -0.00     0.04   0.01  -0.01
    77   6    -0.00   0.01   0.00     0.00  -0.01  -0.00     0.03  -0.01   0.01
    78   6    -0.00   0.01   0.00     0.00  -0.00  -0.00     0.03  -0.05  -0.02
    79   6     0.01  -0.00   0.00    -0.02   0.01   0.00    -0.08   0.00   0.00
    80   1    -0.01  -0.02  -0.01     0.03   0.01   0.01    -0.01   0.02   0.00
    81   1    -0.00   0.03   0.04    -0.03   0.07  -0.05    -0.00  -0.00   0.10
    82   1    -0.00  -0.02  -0.03     0.05  -0.05  -0.06     0.01   0.00   0.04
    83   1    -0.03   0.01   0.13    -0.07   0.03  -0.08     0.00  -0.00   0.08
    84   1     0.01  -0.03  -0.03    -0.01   0.06  -0.05     0.01  -0.01  -0.04
    85   1    -0.03  -0.02  -0.11     0.04   0.05  -0.08    -0.01  -0.00  -0.01
    86   1    -0.01   0.02   0.04    -0.01  -0.06  -0.05    -0.00   0.00  -0.00
    87   1     0.00  -0.00   0.00    -0.01  -0.00  -0.01     0.01  -0.02  -0.09
    88   1     0.00  -0.00  -0.01     0.02   0.01  -0.02    -0.00   0.03  -0.35
    89   1    -0.00   0.00  -0.00     0.02   0.00  -0.01     0.03   0.03  -0.14
    90   1    -0.07  -0.18  -0.16     0.07   0.19   0.13    -0.01  -0.03  -0.02
    91   1    -0.01   0.04  -0.09     0.02  -0.01   0.14    -0.00  -0.00  -0.03
    92   1     0.05   0.03  -0.10    -0.03   0.01   0.15     0.01  -0.00  -0.03
    93   1    -0.04  -0.19  -0.17     0.05   0.20   0.14    -0.00  -0.03  -0.02
    94   1    -0.12   0.10   0.14    -0.20   0.16   0.16     0.01  -0.01  -0.00
    95   1     0.01  -0.03   0.07    -0.02  -0.01   0.17     0.01   0.01  -0.02
    96   1     0.04  -0.00   0.07     0.03   0.03   0.18    -0.00  -0.00  -0.02
    97   1    -0.11   0.12   0.14    -0.17   0.18   0.16     0.01  -0.02  -0.00
    98   1    -0.01  -0.02  -0.01     0.02   0.02   0.02     0.04   0.34   0.13
    99   1     0.01   0.00  -0.01    -0.01  -0.00   0.02    -0.05   0.04   0.30
   100   1    -0.00   0.00  -0.01    -0.01   0.00   0.02     0.07  -0.00   0.30
   101   1    -0.01  -0.02  -0.01     0.03   0.03   0.02     0.14   0.31   0.14
   102   1    -0.20  -0.01  -0.02     0.14   0.02   0.02    -0.01  -0.00  -0.00
   103   1     0.14  -0.05   0.00    -0.09   0.03  -0.00     0.01  -0.00   0.00
   104   1    -0.04   0.03   0.01     0.03  -0.01   0.00    -0.00  -0.00  -0.00
   105   1     0.13   0.02   0.02    -0.09  -0.03  -0.01     0.01   0.00   0.00
   106   1    -0.10   0.09   0.02     0.05  -0.07  -0.01    -0.00   0.01   0.00
   107   1     0.04   0.02   0.01    -0.02  -0.00   0.00     0.00   0.00  -0.00
   108   1    -0.14   0.02  -0.00     0.09  -0.01   0.00    -0.01   0.00   0.00
   109   1     0.17  -0.11  -0.02    -0.11   0.09   0.02     0.01  -0.01  -0.00
   110   1     0.08   0.16   0.01     0.06   0.16   0.02    -0.00   0.00  -0.00
   111   1    -0.10  -0.07   0.01    -0.09  -0.07   0.00    -0.00   0.00   0.00
   112   1     0.04   0.01  -0.01     0.02   0.01   0.00     0.00  -0.00  -0.00
   113   1    -0.04  -0.11  -0.01    -0.01  -0.11  -0.01     0.00   0.00  -0.00
   114   1     0.11   0.04  -0.01     0.11   0.03  -0.02    -0.00   0.00   0.00
   115   1    -0.02  -0.04  -0.01    -0.03  -0.03   0.01    -0.00  -0.00  -0.00
   116   1     0.08   0.10  -0.00     0.08   0.08  -0.01     0.00  -0.00   0.00
   117   1    -0.16  -0.08   0.02    -0.15  -0.06   0.02     0.00  -0.00  -0.00
   118   1    -0.02  -0.00  -0.00     0.02  -0.00   0.00     0.11   0.02   0.04
   119   1     0.01  -0.00   0.00    -0.02  -0.00  -0.00    -0.06   0.03  -0.01
   120   1    -0.00   0.00  -0.00     0.02   0.00   0.00     0.00  -0.01   0.03
   121   1     0.01   0.00   0.00    -0.02   0.00  -0.00    -0.06  -0.04  -0.01
   122   1    -0.01   0.01   0.00     0.00  -0.01  -0.00     0.03  -0.06  -0.01
   123   1     0.00   0.00   0.00     0.00  -0.01  -0.00    -0.01   0.01   0.03
   124   1    -0.01   0.00  -0.00     0.02   0.01   0.00     0.07  -0.02  -0.01
   125   1     0.01  -0.01  -0.00    -0.02   0.02   0.00    -0.08   0.08   0.03
   126  17     0.00   0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
                    109                    110                    111
                      A                      A                      A
 Frequencies --    649.8767               658.9967               662.9875
 Red. masses --      5.7712                 6.1421                 5.7686
 Frc consts  --      1.4361                 1.5716                 1.4939
 IR Inten    --      0.4221                 0.8943                11.2217
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.01  -0.15     0.01  -0.02   0.07     0.00   0.02   0.01
     2   6     0.00  -0.01   0.03    -0.10  -0.06   0.01    -0.14  -0.03  -0.02
     3   6     0.00   0.00   0.10    -0.07  -0.04  -0.04    -0.06  -0.08   0.04
     4   6     0.00  -0.00   0.02    -0.05   0.00   0.06    -0.03  -0.03  -0.00
     5   6     0.00  -0.01  -0.06     0.04   0.06  -0.01     0.09   0.03   0.01
     6   6     0.01  -0.01   0.07     0.06   0.04   0.01     0.04   0.08  -0.02
     7   6    -0.01   0.00  -0.11     0.09  -0.00  -0.06     0.10  -0.04  -0.01
     8   6     0.00   0.00  -0.01     0.05   0.02   0.07     0.04  -0.02  -0.02
     9   6     0.01   0.01  -0.00     0.02  -0.07  -0.03     0.02  -0.03   0.05
    10   6     0.01   0.00   0.00     0.03  -0.07  -0.03     0.00  -0.04  -0.05
    11   6    -0.01   0.01  -0.03     0.12   0.01   0.01     0.14   0.05  -0.01
    12   6    -0.00   0.01   0.17    -0.01  -0.02   0.07    -0.01   0.01  -0.01
    13   6     0.00   0.01  -0.07    -0.08   0.00   0.01    -0.08   0.05  -0.00
    14   6     0.00   0.01   0.06    -0.06   0.02  -0.01    -0.09  -0.02  -0.01
    15   7     0.00   0.01  -0.00    -0.04  -0.04   0.00    -0.02  -0.01   0.01
    16   6    -0.00   0.00   0.00    -0.03   0.04   0.00    -0.02   0.02  -0.04
    17   6     0.00  -0.00   0.00     0.01   0.05   0.02     0.00   0.03   0.10
    18   7     0.01  -0.01   0.00     0.06  -0.02   0.00     0.03  -0.02  -0.03
    19   6    -0.00  -0.00  -0.00    -0.02   0.02  -0.01    -0.02   0.01  -0.03
    20   6    -0.00   0.00   0.00    -0.03  -0.04   0.01    -0.01   0.00   0.02
    21   6    -0.00   0.00  -0.00     0.04  -0.03  -0.02     0.04  -0.01  -0.16
    22   6    -0.00  -0.00  -0.00     0.01   0.02   0.00     0.02   0.03   0.01
    23   6     0.01  -0.02   0.07     0.02  -0.03   0.01    -0.01   0.03   0.00
    24   6     0.00   0.03  -0.08    -0.01  -0.03   0.01    -0.01   0.03   0.00
    25   6    -0.00   0.00   0.00     0.05  -0.01   0.01     0.06   0.04   0.02
    26   6     0.18   0.05  -0.10    -0.15  -0.01   0.05     0.07   0.04  -0.03
    27   6     0.13  -0.10   0.08    -0.12   0.09  -0.06     0.05  -0.03   0.00
    28   6    -0.01  -0.08  -0.00     0.01   0.02  -0.03     0.01  -0.00   0.03
    29   6    -0.17  -0.03   0.08     0.15   0.01  -0.05    -0.06  -0.02   0.02
    30   6    -0.13   0.13  -0.09     0.12  -0.08   0.06    -0.04   0.05  -0.01
    31   6     0.16   0.04   0.09     0.15   0.07   0.06    -0.07   0.00  -0.03
    32   6     0.06   0.14  -0.07     0.07   0.14  -0.06    -0.03  -0.04   0.00
    33   6    -0.05   0.06  -0.00    -0.01   0.03  -0.03    -0.01  -0.01   0.03
    34   6    -0.14  -0.05  -0.07    -0.15  -0.07  -0.06     0.06   0.01   0.02
    35   6    -0.05  -0.16   0.09    -0.08  -0.14   0.06     0.01   0.06  -0.01
    36   6    -0.00  -0.00   0.00     0.01   0.03  -0.02    -0.11   0.14  -0.06
    37   6     0.00  -0.00   0.00     0.00   0.03  -0.02    -0.15   0.02   0.02
    38   6     0.00  -0.00   0.00    -0.04   0.02   0.01    -0.04   0.02   0.07
    39   6     0.00   0.00  -0.00    -0.01  -0.03   0.02     0.12  -0.13   0.06
    40   6     0.00   0.00  -0.00     0.00  -0.03   0.02     0.17  -0.00  -0.02
    41   7    -0.02   0.03  -0.05    -0.04   0.05  -0.05     0.01  -0.03   0.01
    42   7    -0.00  -0.04   0.05     0.02   0.06  -0.04     0.00  -0.03   0.01
    43   7     0.00  -0.00  -0.00    -0.04   0.00   0.00    -0.06  -0.06   0.04
    44   6     0.01  -0.03  -0.01    -0.03   0.05   0.01     0.02  -0.03  -0.01
    45   6     0.02  -0.01  -0.01    -0.05   0.00   0.01     0.03   0.00  -0.00
    46   6    -0.02   0.00  -0.01     0.05  -0.03   0.01    -0.02   0.01  -0.00
    47   6    -0.02  -0.02  -0.00     0.06   0.03   0.01    -0.02  -0.01  -0.00
    48   6    -0.02   0.00   0.01    -0.06  -0.00   0.01     0.02   0.00  -0.00
    49   6    -0.02  -0.01   0.01    -0.03  -0.04   0.01     0.01   0.02  -0.00
    50   6     0.01   0.01   0.01     0.05   0.03   0.01    -0.02  -0.01  -0.00
    51   6    -0.01   0.03   0.01    -0.00   0.07   0.01     0.00  -0.04  -0.01
    52   6     0.00  -0.00  -0.00    -0.00   0.02   0.00     0.04  -0.05  -0.00
    53   6     0.00   0.00   0.00     0.01  -0.00  -0.00     0.07  -0.00  -0.01
    54   6    -0.00   0.00  -0.00    -0.01   0.01   0.00    -0.06   0.04  -0.01
    55   6     0.00   0.00   0.00    -0.03  -0.02  -0.01    -0.10  -0.05  -0.02
    56   6    -0.03   0.01   0.01     0.06  -0.03  -0.02    -0.03   0.01   0.01
    57   6     0.02   0.02  -0.01    -0.05  -0.03   0.00     0.01   0.01  -0.00
    58   6     0.01   0.00   0.02    -0.03   0.02  -0.01     0.01  -0.00   0.01
    59   6     0.02  -0.01  -0.01    -0.03   0.03   0.02     0.01  -0.00  -0.00
    60   6    -0.03  -0.00  -0.02     0.03   0.01   0.02    -0.02  -0.01  -0.01
    61   6    -0.01   0.00   0.02     0.03  -0.00  -0.01    -0.02  -0.01   0.00
    62   6    -0.01   0.03  -0.01     0.02  -0.05   0.01    -0.01   0.03  -0.00
    63   6     0.03  -0.00   0.02    -0.07   0.00  -0.02     0.03   0.00   0.01
    64   6     0.03   0.02  -0.01     0.06   0.03  -0.02    -0.03  -0.01   0.01
    65   6     0.01  -0.03   0.01     0.01  -0.06   0.01    -0.00   0.03  -0.00
    66   6    -0.01  -0.01  -0.01    -0.03  -0.01  -0.01     0.02   0.00   0.00
    67   6    -0.03  -0.01   0.02    -0.04  -0.01   0.02     0.03   0.00  -0.01
    68   6     0.01   0.02   0.01     0.01   0.03   0.02    -0.01  -0.00  -0.00
    69   6     0.01   0.01  -0.02     0.02   0.02  -0.02    -0.01  -0.01   0.01
    70   6     0.02  -0.01   0.01     0.05  -0.00   0.01    -0.01  -0.00  -0.00
    71   6    -0.02  -0.03  -0.01    -0.04  -0.05  -0.02     0.02   0.02   0.01
    72   6    -0.00  -0.00  -0.00    -0.01   0.02   0.01    -0.08   0.06   0.03
    73   6    -0.00  -0.00  -0.00     0.03   0.02   0.01     0.09   0.06   0.00
    74   6    -0.00   0.00   0.00     0.01  -0.02  -0.00     0.04  -0.05   0.01
    75   6    -0.00   0.00   0.00     0.01  -0.04  -0.01     0.04  -0.07  -0.03
    76   6    -0.00  -0.00  -0.00     0.02   0.02   0.01    -0.02   0.01  -0.01
    77   6    -0.00  -0.00  -0.00     0.01   0.01   0.01    -0.03   0.01   0.02
    78   6    -0.00   0.00   0.00     0.01  -0.02  -0.01    -0.02   0.04  -0.01
    79   6     0.00   0.00   0.00    -0.00  -0.02  -0.00     0.08  -0.02   0.02
    80   1     0.01   0.02  -0.01    -0.10  -0.06   0.03    -0.06  -0.02  -0.01
    81   1     0.00  -0.02   0.10    -0.12  -0.13  -0.07    -0.15  -0.06  -0.07
    82   1     0.00  -0.01  -0.06     0.05   0.12  -0.15     0.09   0.05   0.01
    83   1     0.02  -0.01   0.26     0.11   0.06  -0.14     0.02   0.07  -0.03
    84   1    -0.02   0.02  -0.11     0.18  -0.05  -0.05     0.16   0.02   0.06
    85   1     0.02   0.02  -0.27    -0.11  -0.00  -0.13    -0.05   0.06   0.05
    86   1     0.00   0.01   0.05    -0.10   0.06  -0.13    -0.10  -0.02   0.04
    87   1    -0.00  -0.00  -0.00     0.04   0.03  -0.01    -0.01   0.02   0.13
    88   1    -0.00  -0.00   0.00    -0.04  -0.03   0.03    -0.04   0.03   0.29
    89   1     0.00  -0.00  -0.00    -0.07   0.00   0.00    -0.01   0.03   0.11
    90   1     0.15   0.17  -0.02    -0.13   0.00   0.08     0.05   0.01  -0.07
    91   1     0.08  -0.03   0.22    -0.11   0.10  -0.05    -0.00  -0.07  -0.04
    92   1    -0.10   0.02   0.22     0.13   0.03  -0.05    -0.07  -0.07  -0.04
    93   1    -0.03   0.21  -0.02     0.12  -0.07   0.09    -0.02   0.02  -0.07
    94   1     0.19  -0.06   0.03     0.14   0.07   0.09    -0.05  -0.02  -0.07
    95   1     0.05   0.06  -0.19     0.04   0.13  -0.07     0.04  -0.06  -0.04
    96   1    -0.07  -0.06  -0.19    -0.15  -0.06  -0.07     0.09  -0.02  -0.04
    97   1     0.07  -0.18   0.03    -0.06  -0.12   0.09     0.00   0.02  -0.07
    98   1     0.00  -0.00   0.00    -0.04   0.01  -0.03    -0.17   0.05  -0.16
    99   1    -0.00  -0.00  -0.00     0.03  -0.02  -0.03    -0.13  -0.11  -0.08
   100   1    -0.00   0.00  -0.00     0.04  -0.04  -0.02     0.12  -0.21  -0.06
   101   1     0.00  -0.00  -0.00    -0.04  -0.02  -0.01     0.10  -0.06  -0.15
   102   1    -0.04  -0.01   0.02     0.09   0.03  -0.02    -0.04  -0.02   0.01
   103   1     0.03  -0.00  -0.02    -0.07   0.00   0.01     0.02  -0.01  -0.01
   104   1    -0.01  -0.00   0.04     0.03   0.02  -0.03    -0.00  -0.00   0.01
   105   1     0.03  -0.00  -0.00    -0.05  -0.01   0.01     0.02   0.02  -0.00
   106   1    -0.03   0.01  -0.01     0.04  -0.04   0.01    -0.02   0.02  -0.01
   107   1     0.02  -0.02   0.04    -0.01   0.03  -0.03     0.01  -0.03   0.01
   108   1    -0.03   0.02  -0.01     0.06  -0.03   0.02    -0.03   0.02  -0.01
   109   1     0.03  -0.03   0.03    -0.07   0.07  -0.02     0.03  -0.03   0.01
   110   1     0.02   0.04  -0.03     0.03   0.10  -0.02    -0.01  -0.05   0.01
   111   1    -0.02  -0.03   0.01    -0.03  -0.06   0.02     0.01   0.03  -0.00
   112   1     0.00   0.02  -0.03    -0.00   0.04  -0.03     0.00  -0.03   0.01
   113   1    -0.02  -0.02   0.01    -0.02  -0.06   0.01     0.01   0.03  -0.01
   114   1     0.02   0.02   0.00     0.05   0.01   0.01    -0.02   0.01  -0.00
   115   1    -0.01  -0.00  -0.03    -0.03   0.00  -0.03     0.00  -0.00   0.01
   116   1     0.02   0.02   0.02     0.05   0.04   0.02    -0.01  -0.02  -0.01
   117   1    -0.04  -0.02  -0.02    -0.10  -0.02  -0.02     0.04   0.01   0.01
   118   1    -0.00  -0.00  -0.00    -0.02   0.00   0.00    -0.14  -0.03   0.02
   119   1    -0.00  -0.00  -0.00     0.03   0.02   0.01     0.11   0.02  -0.01
   120   1     0.00   0.00   0.00    -0.04  -0.02  -0.00    -0.08  -0.04   0.02
   121   1    -0.00   0.00   0.00     0.02  -0.02  -0.00     0.09   0.00  -0.02
   122   1    -0.00  -0.00  -0.00     0.02   0.02   0.00    -0.01   0.07  -0.01
   123   1     0.00  -0.00  -0.00    -0.02   0.03   0.01    -0.01  -0.01   0.03
   124   1    -0.00   0.00   0.00    -0.01  -0.03  -0.01    -0.07   0.01  -0.03
   125   1     0.00   0.00   0.00    -0.00  -0.01  -0.00     0.08  -0.10   0.02
   126  17    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
                    112                    113                    114
                      A                      A                      A
 Frequencies --    665.1795               673.3223               673.9147
 Red. masses --      5.7667                 6.7862                 4.4528
 Frc consts  --      1.5033                 1.8127                 1.1915
 IR Inten    --      6.8800                 6.2148                 1.3649
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.01  -0.02     0.04   0.03   0.04     0.00   0.01  -0.23
     2   6    -0.17  -0.04   0.00     0.02   0.03  -0.00    -0.01   0.02   0.02
     3   6    -0.08  -0.09  -0.01    -0.01   0.05  -0.02     0.00   0.01   0.14
     4   6    -0.04  -0.03  -0.02    -0.03  -0.04  -0.00    -0.01  -0.01   0.02
     5   6     0.09   0.05  -0.01    -0.04  -0.10   0.02    -0.02  -0.01  -0.07
     6   6     0.05   0.10   0.00    -0.02  -0.13  -0.01    -0.02  -0.01   0.07
     7   6     0.13  -0.04   0.03    -0.00   0.05   0.02     0.01  -0.00  -0.15
     8   6     0.06  -0.01  -0.01     0.06  -0.01  -0.00     0.01  -0.00  -0.02
     9   6     0.02  -0.07  -0.03     0.02   0.08   0.01     0.00   0.01  -0.00
    10   6     0.01  -0.05   0.05    -0.09   0.09  -0.01    -0.01   0.01   0.00
    11   6     0.17   0.06  -0.01    -0.03   0.03   0.01     0.01  -0.01  -0.02
    12   6    -0.02   0.01  -0.01    -0.07   0.02  -0.04    -0.00  -0.00   0.24
    13   6    -0.09   0.05  -0.01     0.09  -0.12   0.02    -0.01  -0.03  -0.07
    14   6    -0.10  -0.02   0.01     0.10  -0.07  -0.01    -0.01  -0.01   0.07
    15   7    -0.03  -0.05  -0.01     0.05   0.04  -0.00     0.01   0.00  -0.00
    16   6    -0.02   0.04   0.03     0.01  -0.04  -0.01     0.00  -0.00   0.00
    17   6     0.03   0.05  -0.09     0.05  -0.01   0.01     0.01  -0.00   0.00
    18   7     0.05   0.02   0.02    -0.08   0.16  -0.01    -0.01   0.02   0.00
    19   6    -0.03   0.04   0.03    -0.11   0.00  -0.00    -0.01   0.01  -0.00
    20   6    -0.05  -0.06  -0.01    -0.11   0.01   0.00    -0.02   0.00   0.00
    21   6     0.02  -0.03   0.14     0.05   0.01  -0.02     0.01  -0.00  -0.01
    22   6     0.01  -0.02  -0.00     0.09  -0.05   0.01     0.01  -0.01   0.00
    23   6    -0.02   0.02   0.00     0.07   0.05  -0.00     0.00   0.04   0.02
    24   6    -0.02   0.03   0.00    -0.12   0.03   0.00    -0.01  -0.03  -0.02
    25   6     0.03  -0.06  -0.01     0.08  -0.03   0.00     0.01  -0.00   0.00
    26   6     0.06   0.05  -0.03    -0.01   0.06  -0.06    -0.09  -0.02  -0.01
    27   6     0.04  -0.02  -0.01     0.01   0.08  -0.05    -0.07   0.06  -0.00
    28   6     0.03   0.00   0.04     0.12  -0.03  -0.00    -0.01  -0.03  -0.06
    29   6    -0.06  -0.03   0.02    -0.04  -0.07   0.06     0.09   0.02   0.00
    30   6    -0.04   0.05   0.00    -0.06  -0.07   0.06     0.07  -0.06  -0.01
    31   6    -0.07   0.00  -0.02     0.01   0.04  -0.04    -0.09  -0.02  -0.00
    32   6    -0.02  -0.05   0.00    -0.02   0.07  -0.04    -0.04  -0.07  -0.01
    33   6    -0.01   0.01   0.04    -0.05  -0.07  -0.02    -0.04   0.01   0.06
    34   6     0.05   0.01   0.01     0.02  -0.03   0.04     0.10   0.03   0.01
    35   6    -0.00   0.07  -0.01     0.05  -0.05   0.04     0.05   0.08   0.02
    36   6     0.12  -0.08   0.01     0.02   0.02  -0.04     0.00   0.00  -0.01
    37   6     0.15   0.04  -0.05     0.02   0.05  -0.03     0.00   0.01  -0.00
    38   6    -0.05   0.00  -0.06    -0.08   0.02  -0.02    -0.01   0.00  -0.00
    39   6    -0.12   0.06  -0.01     0.00  -0.05   0.05     0.00  -0.01   0.01
    40   6    -0.15  -0.05   0.05    -0.00  -0.08   0.03     0.00  -0.01   0.01
    41   7     0.02  -0.02   0.01    -0.06  -0.05  -0.00     0.01  -0.04   0.02
    42   7     0.02  -0.03   0.01     0.11  -0.03   0.00     0.01   0.04  -0.02
    43   7    -0.02   0.07  -0.04    -0.08   0.03   0.00    -0.01   0.00   0.00
    44   6     0.02  -0.04  -0.01     0.02  -0.08  -0.02    -0.03   0.04   0.00
    45   6     0.03   0.00  -0.00     0.02  -0.00   0.00    -0.05  -0.00   0.01
    46   6    -0.02   0.01  -0.00     0.02  -0.01  -0.00     0.04  -0.03   0.01
    47   6    -0.02  -0.00  -0.00     0.06   0.06   0.02     0.05   0.02   0.00
    48   6     0.03   0.00  -0.00    -0.07   0.01   0.01     0.03   0.01   0.00
    49   6     0.01   0.02  -0.00    -0.01  -0.02  -0.00     0.02   0.04  -0.01
    50   6    -0.02  -0.01  -0.00     0.00  -0.00   0.01    -0.04  -0.02  -0.00
    51   6    -0.00  -0.03  -0.00     0.02  -0.04  -0.01     0.00  -0.07  -0.01
    52   6    -0.04   0.09   0.01    -0.02   0.06   0.01    -0.00   0.01   0.00
    53   6    -0.06  -0.00   0.01    -0.02   0.00  -0.00    -0.00   0.00  -0.00
    54   6     0.05  -0.03   0.01    -0.01   0.00   0.00    -0.00   0.00   0.00
    55   6     0.04   0.01   0.00    -0.04  -0.04  -0.01    -0.01  -0.01  -0.00
    56   6    -0.03   0.00   0.00     0.02  -0.06  -0.01     0.05  -0.02  -0.01
    57   6     0.01   0.00  -0.01    -0.07  -0.06  -0.02    -0.04  -0.02   0.00
    58   6     0.01   0.00   0.01    -0.01   0.06   0.02    -0.02   0.02  -0.01
    59   6     0.00   0.01  -0.00    -0.04   0.11   0.03    -0.01   0.02   0.01
    60   6    -0.03  -0.02  -0.01    -0.09  -0.07  -0.03     0.02   0.01   0.01
    61   6    -0.02  -0.01   0.00    -0.04  -0.05  -0.02     0.03   0.01  -0.01
    62   6    -0.02   0.04   0.00    -0.03   0.09   0.02     0.02  -0.04   0.00
    63   6     0.04   0.01   0.01     0.05   0.04   0.02    -0.05   0.00  -0.01
    64   6    -0.03  -0.02   0.01    -0.03   0.02   0.01    -0.05  -0.02   0.02
    65   6    -0.00   0.03  -0.00    -0.01   0.05   0.02    -0.00   0.06  -0.00
    66   6     0.02   0.01   0.00     0.03  -0.01  -0.01     0.04   0.00   0.00
    67   6     0.02   0.00  -0.01     0.07  -0.01  -0.02     0.05  -0.00  -0.02
    68   6    -0.00  -0.01  -0.01    -0.01   0.08   0.02    -0.01   0.00  -0.00
    69   6    -0.01  -0.01   0.01    -0.01   0.05   0.01    -0.01  -0.01   0.01
    70   6    -0.02   0.00  -0.00     0.08  -0.01  -0.01    -0.02  -0.00  -0.01
    71   6     0.02   0.02   0.01     0.00  -0.05  -0.01     0.03   0.03   0.01
    72   6     0.06  -0.02  -0.01    -0.01   0.04   0.01    -0.00   0.01   0.00
    73   6    -0.03  -0.01   0.01     0.05   0.04   0.02     0.01   0.01   0.00
    74   6    -0.02   0.00  -0.02     0.01  -0.04  -0.01     0.00  -0.01  -0.00
    75   6    -0.01  -0.01   0.01     0.02  -0.07  -0.02     0.00  -0.01  -0.00
    76   6     0.06   0.03   0.03     0.06   0.05   0.02     0.01   0.01   0.00
    77   6     0.05   0.02  -0.01     0.03   0.03   0.01     0.00   0.00   0.00
    78   6     0.04  -0.08  -0.00     0.02  -0.07  -0.01     0.00  -0.01  -0.00
    79   6    -0.08  -0.01  -0.02    -0.04  -0.03  -0.01    -0.00  -0.00  -0.00
    80   1    -0.09  -0.08   0.01     0.11   0.07  -0.00     0.01   0.00  -0.01
    81   1    -0.17  -0.08   0.09     0.01  -0.02  -0.04    -0.00   0.01   0.17
    82   1     0.10   0.08   0.05    -0.03  -0.07   0.00    -0.02  -0.02  -0.02
    83   1     0.05   0.09   0.08    -0.10  -0.16  -0.07    -0.03  -0.01   0.38
    84   1     0.21   0.01  -0.03     0.02  -0.03   0.04     0.02  -0.02  -0.18
    85   1    -0.07   0.05   0.01     0.18  -0.09   0.07    -0.00  -0.02  -0.39
    86   1    -0.12  -0.00   0.02     0.08  -0.05   0.00    -0.02  -0.00   0.01
    87   1     0.02   0.05  -0.11    -0.16  -0.01   0.02    -0.02   0.00   0.00
    88   1    -0.05  -0.07  -0.25    -0.17   0.08   0.02    -0.02   0.01   0.01
    89   1    -0.07  -0.03  -0.09     0.12  -0.05   0.01     0.02  -0.01   0.00
    90   1     0.05   0.01  -0.08     0.08   0.00  -0.01    -0.08   0.08   0.10
    91   1    -0.02  -0.08  -0.06    -0.11   0.07  -0.01    -0.05   0.17   0.14
    92   1    -0.08  -0.08  -0.06    -0.15   0.03   0.02     0.13   0.12   0.14
    93   1    -0.01   0.00  -0.08     0.03  -0.07   0.03     0.10   0.03   0.10
    94   1    -0.03  -0.02  -0.08    -0.04   0.00   0.03    -0.04  -0.11  -0.10
    95   1     0.05  -0.08  -0.06     0.02   0.13   0.04     0.05  -0.14  -0.12
    96   1     0.09  -0.05  -0.06     0.02   0.09   0.06     0.18  -0.02  -0.12
    97   1     0.01   0.02  -0.08    -0.03  -0.05   0.06     0.10   0.01  -0.09
    98   1     0.09  -0.01   0.12    -0.05   0.03   0.02    -0.01   0.00   0.00
    99   1     0.19   0.10   0.06     0.09   0.03   0.04     0.01   0.00   0.00
   100   1    -0.03   0.15   0.07     0.11  -0.00   0.06     0.02  -0.00   0.01
   101   1    -0.14   0.04   0.14    -0.03  -0.02   0.04    -0.00  -0.00   0.00
   102   1    -0.04  -0.02   0.01     0.04  -0.02   0.00     0.08   0.03  -0.01
   103   1     0.02  -0.02  -0.01    -0.06  -0.07  -0.03    -0.05   0.00   0.01
   104   1     0.01   0.00   0.01     0.12   0.06   0.02     0.02   0.02  -0.01
   105   1     0.01   0.03  -0.00    -0.06   0.07   0.01    -0.04  -0.02   0.02
   106   1    -0.03   0.02  -0.01    -0.09  -0.03  -0.01     0.02  -0.04   0.02
   107   1     0.02  -0.04   0.00     0.08  -0.11  -0.02    -0.01   0.03  -0.01
   108   1    -0.03   0.03  -0.00    -0.02   0.10   0.03     0.04  -0.03   0.02
   109   1     0.04  -0.04   0.01     0.05  -0.01  -0.00    -0.05   0.07  -0.01
   110   1    -0.01  -0.05   0.01    -0.02   0.01  -0.00    -0.02  -0.08   0.01
   111   1     0.02   0.03  -0.01    -0.03   0.05   0.02     0.02   0.06  -0.01
   112   1     0.00  -0.02   0.01    -0.01  -0.08  -0.02     0.00  -0.06   0.01
   113   1     0.00   0.03  -0.01     0.06  -0.00  -0.00     0.02   0.04  -0.02
   114   1    -0.03  -0.00  -0.01     0.02   0.06   0.01    -0.04   0.02  -0.01
   115   1     0.01  -0.00   0.01    -0.10  -0.00   0.01    -0.00  -0.01   0.01
   116   1    -0.02  -0.02  -0.01     0.08  -0.01  -0.02    -0.02  -0.03  -0.02
   117   1     0.05   0.01   0.00    -0.04  -0.03  -0.00     0.07   0.01   0.01
   118   1     0.10   0.04  -0.01    -0.02   0.02  -0.00    -0.00   0.00  -0.00
   119   1    -0.05   0.03   0.03     0.04   0.05   0.02     0.01   0.01   0.00
   120   1    -0.01   0.00  -0.03    -0.09  -0.04  -0.01    -0.01  -0.01  -0.00
   121   1    -0.04  -0.05   0.01     0.04  -0.05  -0.00     0.01  -0.01  -0.00
   122   1     0.06  -0.04   0.02     0.06   0.02   0.01     0.01   0.00   0.00
   123   1    -0.04   0.07  -0.02    -0.05   0.08   0.01    -0.01   0.01   0.00
   124   1     0.06  -0.07   0.01     0.01  -0.07  -0.02     0.00  -0.01  -0.00
   125   1    -0.08   0.08  -0.02    -0.04   0.01   0.00    -0.00   0.00   0.00
   126  17     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
                    115                    116                    117
                      A                      A                      A
 Frequencies --    682.8070               705.2333               722.1377
 Red. masses --      6.7244                 6.3791                 4.6472
 Frc consts  --      1.8471                 1.8693                 1.4278
 IR Inten    --      9.5101                 6.2377                14.6848
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.05   0.01   0.03    -0.01  -0.02   0.00     0.02   0.04   0.03
     2   6    -0.07  -0.03  -0.00    -0.10  -0.05   0.00    -0.09   0.02  -0.02
     3   6    -0.09  -0.01  -0.02    -0.05  -0.06   0.00    -0.05  -0.00   0.16
     4   6    -0.06  -0.01   0.00    -0.01  -0.01   0.01    -0.01  -0.05  -0.07
     5   6    -0.08  -0.04   0.01     0.01   0.01  -0.00     0.09  -0.06   0.06
     6   6    -0.00  -0.10  -0.00     0.01   0.02   0.00     0.04  -0.01  -0.04
     7   6    -0.04  -0.01   0.02     0.03  -0.01  -0.02    -0.04   0.03  -0.16
     8   6    -0.01  -0.01   0.01    -0.01   0.05   0.01     0.01   0.03   0.06
     9   6     0.06   0.05  -0.00    -0.05  -0.01   0.01     0.03   0.03   0.20
    10   6     0.08  -0.02   0.00     0.04   0.00  -0.02     0.01  -0.02  -0.20
    11   6    -0.02   0.00   0.00     0.03  -0.05   0.00    -0.07  -0.01   0.02
    12   6     0.03   0.00  -0.03     0.04  -0.04   0.00    -0.01  -0.01  -0.03
    13   6    -0.05   0.05   0.01     0.04  -0.01   0.01     0.02  -0.03   0.04
    14   6    -0.07  -0.00  -0.01     0.07   0.10  -0.01     0.04   0.04  -0.06
    15   7     0.02   0.13  -0.00    -0.08   0.01  -0.00     0.01   0.07  -0.05
    16   6    -0.00   0.03   0.00    -0.07  -0.02  -0.01    -0.00   0.01  -0.14
    17   6     0.07  -0.01  -0.00     0.07   0.06   0.01     0.01  -0.00   0.12
    18   7     0.10  -0.06   0.00     0.07   0.07  -0.00     0.03  -0.03   0.06
    19   6    -0.05   0.05  -0.00     0.01  -0.15   0.01    -0.01   0.02   0.09
    20   6    -0.08  -0.02   0.00     0.03  -0.07  -0.01    -0.03  -0.02  -0.08
    21   6    -0.01  -0.02  -0.00     0.09   0.00  -0.00    -0.00  -0.00   0.12
    22   6     0.06  -0.06   0.00     0.09   0.06  -0.00     0.02  -0.03  -0.07
    23   6     0.09   0.09  -0.00     0.01   0.00  -0.01     0.03   0.01  -0.02
    24   6     0.09  -0.02   0.00    -0.01   0.00  -0.00    -0.00   0.02   0.02
    25   6    -0.01  -0.00   0.00    -0.02   0.01   0.00     0.01   0.02   0.03
    26   6     0.03  -0.06   0.05    -0.04   0.02  -0.00     0.00  -0.01  -0.02
    27   6     0.02  -0.08   0.04    -0.04   0.03  -0.02     0.01   0.01   0.01
    28   6    -0.09   0.03   0.01     0.02  -0.00   0.00    -0.00  -0.02  -0.03
    29   6     0.03   0.05  -0.05    -0.04  -0.01   0.01     0.01   0.00   0.02
    30   6     0.04   0.06  -0.04    -0.03   0.01   0.01     0.00  -0.02  -0.02
    31   6    -0.00   0.10  -0.06     0.00   0.03   0.00    -0.04   0.01  -0.00
    32   6    -0.03   0.11  -0.07     0.01   0.02  -0.02    -0.02  -0.01  -0.02
    33   6    -0.09  -0.09  -0.00    -0.02   0.00   0.02    -0.02   0.00   0.02
    34   6     0.07  -0.04   0.06     0.03   0.00  -0.00     0.00  -0.03  -0.00
    35   6     0.08  -0.03   0.06     0.01   0.03   0.02    -0.01  -0.02   0.03
    36   6    -0.00  -0.02   0.01    -0.08   0.00   0.01     0.00  -0.02  -0.03
    37   6     0.01  -0.00   0.01    -0.08  -0.01   0.03     0.01   0.01   0.02
    38   6     0.01  -0.01  -0.01     0.04  -0.02  -0.01    -0.01  -0.03  -0.04
    39   6    -0.01   0.02  -0.00    -0.05   0.05  -0.02    -0.01   0.02   0.02
    40   6    -0.02  -0.01  -0.01    -0.06   0.03  -0.02    -0.01  -0.02  -0.03
    41   7    -0.10  -0.09  -0.00    -0.02  -0.02  -0.00     0.01   0.01  -0.00
    42   7    -0.10   0.02   0.00     0.05  -0.01  -0.00    -0.00   0.00   0.00
    43   7     0.01   0.00  -0.00     0.10  -0.03   0.00     0.00   0.00   0.00
    44   6    -0.02   0.07   0.02     0.01  -0.07  -0.02    -0.00   0.01   0.00
    45   6    -0.02   0.00  -0.01     0.04  -0.01   0.01    -0.01   0.00   0.00
    46   6    -0.03   0.01   0.00     0.04  -0.01  -0.00    -0.00  -0.00   0.00
    47   6    -0.06  -0.06  -0.02     0.05   0.05   0.02     0.00  -0.01  -0.00
    48   6    -0.11   0.03   0.03    -0.03   0.01   0.01     0.04  -0.02  -0.01
    49   6    -0.02  -0.03  -0.00    -0.01  -0.01  -0.00     0.03   0.02   0.00
    50   6    -0.02  -0.02   0.01    -0.02  -0.02   0.00     0.01   0.02  -0.00
    51   6     0.03  -0.10  -0.02     0.01  -0.04  -0.01    -0.02   0.03   0.01
    52   6    -0.00  -0.00  -0.00     0.02  -0.12  -0.03    -0.01   0.01  -0.01
    53   6    -0.00  -0.00   0.00     0.06  -0.02   0.01    -0.01  -0.00   0.01
    54   6     0.01  -0.00   0.00     0.07  -0.02  -0.01     0.01  -0.01   0.01
    55   6     0.01   0.01   0.00     0.09   0.09   0.03     0.01   0.01  -0.00
    56   6    -0.03   0.06   0.02     0.05  -0.05  -0.01    -0.01   0.00  -0.00
    57   6     0.07   0.06   0.02    -0.06  -0.05  -0.02     0.00   0.00   0.00
    58   6     0.02  -0.06  -0.02    -0.02   0.05   0.01     0.00  -0.00  -0.00
    59   6     0.04  -0.11  -0.03    -0.04   0.10   0.02     0.01  -0.01  -0.00
    60   6     0.08   0.07   0.03    -0.08  -0.06  -0.02     0.02   0.01   0.00
    61   6     0.04   0.04   0.02    -0.04  -0.03  -0.01     0.01   0.01   0.00
    62   6     0.03  -0.08  -0.02    -0.03   0.07   0.02     0.01  -0.01  -0.00
    63   6    -0.05  -0.04  -0.01     0.07   0.02   0.01    -0.02   0.00  -0.00
    64   6    -0.08   0.01   0.02    -0.04  -0.01   0.01     0.04   0.02  -0.00
    65   6    -0.02   0.12   0.03    -0.01   0.04   0.01     0.01  -0.03  -0.01
    66   6     0.08  -0.02  -0.02     0.03  -0.01  -0.01    -0.02   0.00   0.01
    67   6     0.15  -0.03  -0.04     0.06  -0.01  -0.01    -0.06   0.00   0.01
    68   6    -0.02   0.16   0.04    -0.01   0.06   0.01     0.00  -0.07  -0.01
    69   6    -0.02   0.09   0.02    -0.01   0.03   0.01     0.00  -0.03  -0.01
    70   6     0.13  -0.02  -0.03     0.04  -0.01  -0.01    -0.04   0.01   0.01
    71   6     0.00  -0.09  -0.02    -0.01  -0.04  -0.00     0.03   0.05   0.00
    72   6     0.01  -0.01  -0.00     0.09  -0.10  -0.02     0.01  -0.01  -0.01
    73   6    -0.01  -0.01  -0.00    -0.11  -0.08  -0.04    -0.01  -0.00   0.00
    74   6    -0.00   0.01   0.00    -0.03   0.09   0.02    -0.00   0.01  -0.00
    75   6    -0.01   0.02   0.00    -0.07   0.17   0.04    -0.00   0.01   0.00
    76   6    -0.01  -0.01  -0.00    -0.15  -0.11  -0.04     0.00   0.00   0.00
    77   6    -0.00  -0.00  -0.00    -0.07  -0.06  -0.02     0.01   0.01  -0.00
    78   6    -0.00   0.01   0.00    -0.04   0.13   0.03     0.00  -0.01   0.00
    79   6     0.00   0.00  -0.00     0.13   0.03   0.02    -0.01   0.00  -0.01
    80   1     0.05   0.22  -0.01    -0.06   0.01   0.00     0.03   0.11  -0.01
    81   1    -0.10  -0.14  -0.01    -0.11  -0.10  -0.01    -0.12  -0.04  -0.40
    82   1    -0.07   0.01  -0.01     0.01   0.02  -0.03     0.10  -0.03   0.03
    83   1    -0.04  -0.11  -0.06     0.02   0.02  -0.02    -0.06  -0.04  -0.16
    84   1    -0.05   0.03   0.02     0.05  -0.07   0.04    -0.08  -0.01   0.39
    85   1    -0.08   0.04   0.05    -0.05  -0.03  -0.01    -0.01  -0.04   0.16
    86   1    -0.07  -0.01  -0.00     0.06   0.11  -0.03     0.02   0.06  -0.02
    87   1    -0.02   0.05  -0.01     0.09  -0.14   0.03     0.01   0.03   0.16
    88   1    -0.07  -0.04  -0.00    -0.05   0.01   0.02    -0.02  -0.03  -0.18
    89   1     0.05  -0.06   0.00     0.07   0.05  -0.03     0.02  -0.03  -0.30
    90   1    -0.03  -0.03   0.00    -0.05   0.03  -0.01     0.01  -0.02  -0.01
    91   1     0.12  -0.08  -0.01    -0.09   0.01  -0.02     0.01   0.04   0.05
    92   1     0.11  -0.04  -0.03    -0.07   0.01  -0.02     0.02   0.03   0.06
    93   1    -0.03   0.04  -0.03    -0.04  -0.01  -0.00     0.00  -0.01  -0.00
    94   1    -0.05   0.02  -0.01     0.01   0.03  -0.01    -0.05  -0.02   0.01
    95   1     0.12   0.16  -0.02     0.06   0.01  -0.05     0.00  -0.02  -0.05
    96   1     0.12   0.10   0.01     0.06  -0.00  -0.05     0.03  -0.03  -0.04
    97   1    -0.01  -0.07   0.02     0.02   0.01  -0.01    -0.04  -0.04   0.01
    98   1     0.00  -0.01   0.02    -0.09   0.00   0.01     0.02  -0.00  -0.01
    99   1    -0.00   0.03   0.03    -0.14   0.06   0.02     0.04   0.07   0.10
   100   1    -0.01   0.04   0.02    -0.12   0.05   0.02     0.01   0.08   0.10
   101   1     0.00  -0.00   0.02    -0.06   0.05   0.00    -0.02   0.01  -0.01
   102   1    -0.06   0.01  -0.01     0.09  -0.00   0.02    -0.01   0.00  -0.01
   103   1     0.07   0.07   0.02    -0.07  -0.04  -0.01     0.00   0.00   0.00
   104   1    -0.12  -0.06  -0.02     0.11   0.04   0.03    -0.01  -0.00  -0.00
   105   1     0.07  -0.07  -0.01    -0.06   0.07   0.02     0.01  -0.02   0.00
   106   1     0.09   0.03   0.01    -0.09  -0.03  -0.02     0.02   0.00   0.01
   107   1    -0.08   0.11   0.02     0.07  -0.09  -0.03    -0.01   0.02   0.01
   108   1     0.02  -0.09  -0.03    -0.04   0.06   0.01     0.01  -0.01   0.01
   109   1    -0.05   0.01   0.01     0.08  -0.04  -0.02    -0.02   0.02   0.01
   110   1    -0.05  -0.05  -0.01    -0.03  -0.05  -0.01     0.03   0.05   0.02
   111   1    -0.04   0.12   0.03     0.00   0.04   0.00    -0.01  -0.03   0.00
   112   1    -0.02  -0.18  -0.03    -0.01  -0.07  -0.01     0.02   0.06   0.02
   113   1     0.13   0.02  -0.01     0.05   0.01  -0.01    -0.06  -0.00   0.01
   114   1     0.03   0.13   0.02     0.01   0.05   0.00    -0.01  -0.06  -0.02
   115   1    -0.19  -0.02   0.03    -0.06  -0.01   0.01     0.07   0.01  -0.02
   116   1     0.13  -0.03  -0.03     0.04  -0.00  -0.01    -0.04  -0.02  -0.01
   117   1    -0.06  -0.06   0.01    -0.03  -0.02   0.01     0.07   0.03  -0.02
   118   1     0.02   0.00   0.00     0.15  -0.01   0.03     0.02   0.01   0.00
   119   1    -0.01  -0.01  -0.00    -0.12  -0.06  -0.02    -0.01  -0.00   0.02
   120   1     0.02   0.01   0.00     0.20   0.07   0.05     0.01   0.00   0.01
   121   1    -0.01   0.01   0.00    -0.10   0.13   0.03    -0.01  -0.01   0.03
   122   1    -0.01  -0.01   0.00    -0.16  -0.05  -0.03    -0.00  -0.01   0.03
   123   1     0.01  -0.01  -0.00     0.13  -0.17  -0.04    -0.00   0.01   0.01
   124   1     0.00   0.01   0.00    -0.06   0.12   0.02     0.01  -0.01   0.02
   125   1     0.00   0.01  -0.00     0.13  -0.07  -0.03    -0.01   0.02   0.00
   126  17     0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
                    118                    119                    120
                      A                      A                      A
 Frequencies --    722.9645               725.6509               739.3191
 Red. masses --      5.9693                 5.9889                 3.0506
 Frc consts  --      1.8383                 1.8580                 0.9824
 IR Inten    --     23.1611                 5.4584                39.3711
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.06   0.00     0.05   0.06  -0.01     0.00   0.00  -0.03
     2   6     0.21   0.00  -0.01    -0.03   0.06   0.00     0.00   0.01   0.03
     3   6     0.09   0.06   0.10    -0.05   0.06  -0.05     0.00   0.01  -0.04
     4   6    -0.01   0.09  -0.03    -0.06  -0.04   0.02     0.00   0.00   0.05
     5   6    -0.20   0.10   0.03     0.03  -0.06  -0.02    -0.01  -0.01  -0.02
     6   6    -0.06  -0.03  -0.02     0.04  -0.08   0.01    -0.01  -0.00   0.03
     7   6     0.11  -0.02  -0.11     0.04   0.08   0.07    -0.01   0.00  -0.06
     8   6     0.02  -0.08   0.04     0.07  -0.03  -0.04    -0.00  -0.00   0.07
     9   6    -0.05  -0.06   0.12     0.02   0.00  -0.06    -0.00   0.00  -0.02
    10   6    -0.06   0.03  -0.12    -0.05   0.02   0.07    -0.00   0.00  -0.01
    11   6     0.18   0.09   0.01     0.04   0.08  -0.01    -0.01   0.01   0.03
    12   6    -0.02   0.04  -0.01    -0.08   0.03   0.02    -0.00   0.00  -0.04
    13   6    -0.07   0.01   0.02    -0.01  -0.09  -0.02     0.01   0.00   0.03
    14   6    -0.12  -0.17  -0.03    -0.02  -0.10   0.03     0.01  -0.00  -0.03
    15   7    -0.03  -0.14  -0.02    -0.00   0.02   0.02     0.00   0.00  -0.00
    16   6    -0.00  -0.04  -0.09    -0.02  -0.02   0.04     0.00  -0.00   0.01
    17   6    -0.03   0.03   0.07     0.04   0.02  -0.03     0.00  -0.00  -0.00
    18   7    -0.08   0.11   0.03    -0.03   0.11  -0.03    -0.00   0.00   0.00
    19   6     0.02  -0.06   0.06    -0.05  -0.07  -0.03    -0.00  -0.00  -0.00
    20   6     0.05  -0.01  -0.05    -0.04  -0.03   0.02     0.00   0.00   0.01
    21   6     0.03   0.01   0.08     0.07   0.00  -0.05    -0.00   0.00  -0.00
    22   6    -0.02   0.04  -0.04     0.07   0.02   0.02     0.00  -0.00   0.00
    23   6    -0.03  -0.01   0.02     0.03   0.05   0.01     0.03  -0.02  -0.04
    24   6    -0.02  -0.01  -0.02    -0.06   0.02  -0.00    -0.01  -0.03  -0.04
    25   6     0.02   0.00   0.01     0.05  -0.01   0.01    -0.00  -0.01  -0.01
    26   6     0.02   0.03  -0.00     0.05   0.04  -0.04    -0.00   0.01   0.03
    27   6     0.01  -0.00  -0.02     0.05   0.03  -0.03    -0.00  -0.00  -0.02
    28   6     0.02   0.01   0.03     0.04  -0.01   0.00     0.01   0.03   0.03
    29   6     0.00  -0.02  -0.00     0.02  -0.05   0.03     0.00  -0.01  -0.02
    30   6     0.01   0.01   0.03     0.02  -0.06   0.04     0.01   0.01   0.03
    31   6     0.05  -0.01   0.01    -0.05  -0.00  -0.05    -0.01   0.01   0.02
    32   6     0.02   0.01   0.02    -0.05   0.00  -0.01     0.00   0.00  -0.02
    33   6     0.02   0.00  -0.03    -0.02  -0.04  -0.02    -0.02   0.02   0.03
    34   6    -0.01   0.03  -0.00    -0.00  -0.04   0.03     0.00  -0.01  -0.01
    35   6     0.01   0.01  -0.03     0.02  -0.06   0.02    -0.01  -0.00   0.03
    36   6    -0.00   0.01  -0.02    -0.03   0.04  -0.03     0.00   0.00   0.01
    37   6    -0.00   0.02  -0.00    -0.03   0.04  -0.01    -0.00  -0.00  -0.00
    38   6    -0.01  -0.01  -0.01    -0.04   0.01  -0.01     0.00   0.01   0.01
    39   6    -0.02   0.00   0.01    -0.03  -0.02   0.03     0.00   0.00  -0.01
    40   6    -0.02  -0.01  -0.00    -0.04  -0.04   0.03     0.00   0.00   0.00
    41   7    -0.01  -0.01   0.00     0.01   0.01   0.00    -0.01   0.01  -0.05
    42   7    -0.01   0.00  -0.00    -0.02   0.01  -0.00     0.00   0.01  -0.04
    43   7     0.01  -0.00  -0.00     0.02  -0.00   0.00     0.00   0.00  -0.01
    44   6     0.00   0.02   0.01    -0.00   0.07   0.02    -0.01  -0.03   0.09
    45   6    -0.01   0.01  -0.00    -0.05   0.03  -0.01     0.01   0.03  -0.09
    46   6    -0.02   0.01  -0.00    -0.06   0.00   0.01     0.00   0.03  -0.09
    47   6    -0.02  -0.02  -0.01    -0.03  -0.06  -0.02    -0.01  -0.03   0.09
    48   6    -0.04   0.02   0.01     0.05  -0.03  -0.02     0.03  -0.02   0.11
    49   6    -0.03  -0.02   0.00     0.04   0.03   0.01    -0.02   0.02  -0.11
    50   6    -0.01  -0.02   0.01     0.03   0.05  -0.00    -0.02   0.02  -0.11
    51   6     0.02  -0.03  -0.01    -0.03   0.06   0.02     0.02  -0.02   0.11
    52   6    -0.00  -0.02  -0.01    -0.00  -0.06  -0.02    -0.00  -0.00   0.02
    53   6     0.01  -0.01   0.00     0.04  -0.02   0.00     0.00   0.00  -0.01
    54   6     0.02  -0.01   0.00     0.05  -0.01  -0.01    -0.00   0.00  -0.01
    55   6     0.01   0.02   0.00     0.03   0.05   0.02    -0.00  -0.01   0.01
    56   6    -0.04   0.02   0.01    -0.11   0.05   0.01    -0.02  -0.01   0.06
    57   6     0.02   0.02   0.01     0.05   0.05   0.02     0.01   0.01  -0.04
    58   6     0.01  -0.02  -0.00     0.02  -0.04  -0.01    -0.00  -0.02   0.07
    59   6     0.02  -0.04  -0.01     0.06  -0.12  -0.02     0.00  -0.00  -0.02
    60   6     0.04   0.02   0.01     0.11   0.07   0.02     0.01   0.01  -0.02
    61   6     0.01   0.01   0.01     0.04   0.03   0.01    -0.01  -0.02   0.07
    62   6     0.01  -0.02  -0.01     0.02  -0.06  -0.02     0.00   0.01  -0.04
    63   6    -0.03  -0.00  -0.00    -0.12   0.01  -0.01    -0.00  -0.02   0.06
    64   6    -0.05  -0.03   0.00     0.09   0.06  -0.01     0.02  -0.01   0.08
    65   6    -0.01   0.03   0.01     0.01  -0.06  -0.02    -0.01   0.01  -0.05
    66   6     0.02  -0.00  -0.01    -0.05   0.00   0.01     0.02  -0.02   0.08
    67   6     0.07  -0.00  -0.01    -0.12   0.00   0.02    -0.01   0.00  -0.02
    68   6    -0.00   0.07   0.01     0.00  -0.12  -0.02    -0.01  -0.00  -0.03
    69   6    -0.00   0.03   0.00     0.00  -0.04  -0.01     0.02  -0.02   0.08
    70   6     0.04  -0.01  -0.01    -0.06   0.02   0.02    -0.01   0.01  -0.04
    71   6    -0.03  -0.05  -0.01     0.06   0.09   0.00     0.02  -0.00   0.08
    72   6     0.03  -0.02  -0.00     0.08  -0.05  -0.00    -0.01  -0.00   0.01
    73   6    -0.02  -0.01  -0.00    -0.04  -0.04  -0.02     0.00   0.00  -0.01
    74   6    -0.01   0.02   0.00    -0.02   0.03   0.01    -0.00  -0.00   0.01
    75   6    -0.02   0.03   0.01    -0.05   0.10   0.02     0.00  -0.00  -0.00
    76   6    -0.03  -0.02  -0.01    -0.09  -0.05  -0.02     0.00   0.00  -0.00
    77   6    -0.01  -0.01  -0.01    -0.03  -0.02  -0.01    -0.00  -0.00   0.01
    78   6    -0.00   0.02   0.01    -0.01   0.05   0.02     0.00   0.00  -0.01
    79   6     0.03  -0.00  -0.00     0.10  -0.01   0.01    -0.00  -0.00   0.01
    80   1    -0.08  -0.22   0.01     0.01   0.04  -0.01     0.01   0.01   0.02
    81   1     0.23   0.08  -0.21    -0.05  -0.02   0.12     0.01   0.01   0.05
    82   1    -0.20   0.11   0.00     0.05   0.03   0.01    -0.01  -0.02  -0.09
    83   1     0.11   0.02  -0.08    -0.05  -0.11   0.07    -0.02  -0.01   0.01
    84   1     0.23   0.04   0.22     0.11   0.01  -0.16    -0.01   0.01   0.09
    85   1     0.08   0.05   0.07     0.11  -0.06  -0.05     0.02   0.00   0.01
    86   1    -0.10  -0.20  -0.02    -0.06  -0.06   0.04     0.01  -0.01  -0.11
    87   1     0.00  -0.06   0.10    -0.04  -0.06  -0.02    -0.00  -0.00  -0.02
    88   1     0.02   0.02  -0.12    -0.11   0.05   0.09    -0.00   0.00  -0.01
    89   1    -0.04   0.04  -0.20     0.06   0.01   0.10     0.01   0.00  -0.00
    90   1     0.04   0.02   0.01     0.11  -0.01  -0.01     0.01   0.01   0.03
    91   1    -0.01  -0.03  -0.05     0.01   0.03  -0.01    -0.01  -0.06  -0.09
    92   1    -0.01  -0.06  -0.05    -0.01  -0.02   0.01    -0.02  -0.06  -0.09
    93   1     0.04  -0.00   0.00     0.11  -0.04   0.01     0.00   0.01   0.03
    94   1     0.06   0.01  -0.00    -0.08  -0.07  -0.01    -0.01   0.00   0.03
    95   1    -0.02   0.02   0.04    -0.04   0.04   0.03     0.04  -0.04  -0.09
    96   1    -0.03   0.05   0.04    -0.00   0.00   0.05     0.05  -0.04  -0.09
    97   1     0.05   0.03  -0.00    -0.05  -0.08   0.01    -0.01  -0.00   0.03
    98   1    -0.01   0.02  -0.01    -0.10   0.03  -0.01     0.00   0.00   0.01
    99   1     0.01   0.02   0.03    -0.01   0.04   0.01    -0.01  -0.01  -0.02
   100   1    -0.01   0.02   0.03     0.01  -0.01   0.03    -0.00  -0.01  -0.02
   101   1    -0.04   0.02  -0.00    -0.08  -0.00   0.01     0.00   0.00   0.01
   102   1    -0.06  -0.00  -0.01    -0.14  -0.00  -0.04    -0.01  -0.00  -0.01
   103   1     0.03   0.00  -0.01     0.08   0.00  -0.01     0.02   0.06  -0.21
   104   1    -0.05  -0.01  -0.02    -0.13  -0.03  -0.05     0.00   0.04  -0.14
   105   1     0.03  -0.03  -0.02     0.07  -0.10  -0.03     0.03   0.08  -0.27
   106   1     0.04   0.02   0.00     0.12   0.05   0.04     0.03   0.09  -0.27
   107   1    -0.03   0.03   0.01    -0.10   0.09   0.04     0.01   0.03  -0.12
   108   1     0.02  -0.01  -0.00     0.07  -0.04   0.02     0.02   0.06  -0.20
   109   1    -0.04   0.02   0.01    -0.12   0.07   0.04     0.00  -0.00   0.00
   110   1    -0.03  -0.05  -0.02     0.06   0.12   0.03     0.00   0.00  -0.00
   111   1     0.02   0.03   0.00    -0.04  -0.06   0.02    -0.06   0.05  -0.25
   112   1    -0.02  -0.06  -0.02     0.03   0.12   0.04    -0.03   0.03  -0.16
   113   1     0.06   0.00  -0.01    -0.11  -0.01   0.04    -0.09   0.07  -0.33
   114   1     0.01   0.06   0.03    -0.01  -0.12  -0.02    -0.08   0.06  -0.34
   115   1    -0.07  -0.02   0.03     0.11   0.03  -0.04    -0.02   0.03  -0.16
   116   1     0.04   0.02   0.01    -0.06  -0.03  -0.01    -0.06   0.04  -0.26
   117   1    -0.07  -0.04   0.02     0.11   0.06  -0.04     0.01   0.01  -0.01
   118   1     0.04   0.00   0.01     0.12  -0.00   0.04    -0.01  -0.00  -0.00
   119   1    -0.03  -0.00   0.01    -0.06   0.00   0.01     0.01   0.01  -0.03
   120   1     0.04   0.01   0.01     0.10   0.02   0.04    -0.00   0.00  -0.02
   121   1    -0.02   0.02   0.02    -0.06   0.09   0.03     0.01   0.01  -0.04
   122   1    -0.03  -0.02   0.00    -0.10  -0.04  -0.03     0.01   0.01  -0.04
   123   1     0.02  -0.03  -0.01     0.08  -0.08  -0.04     0.00   0.01  -0.02
   124   1    -0.02   0.01   0.00    -0.05   0.04  -0.02     0.00   0.01  -0.03
   125   1     0.03  -0.02  -0.01     0.10  -0.06  -0.03    -0.00   0.00   0.00
   126  17     0.00   0.01  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
                    121                    122                    123
                      A                      A                      A
 Frequencies --    739.7654               739.8933               741.0491
 Red. masses --      2.9568                 2.9391                 5.4887
 Frc consts  --      0.9534                 0.9480                 1.7759
 IR Inten    --      1.3698                12.3489                 2.8180
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.00  -0.02    -0.00  -0.00  -0.00     0.05   0.02  -0.03
     2   6     0.01   0.00   0.00    -0.00  -0.00   0.00     0.06   0.02   0.01
     3   6    -0.00   0.01   0.00    -0.00  -0.00   0.00    -0.00   0.04   0.01
     4   6    -0.01   0.00   0.01     0.00  -0.00  -0.00    -0.05   0.03   0.01
     5   6    -0.01   0.00  -0.01     0.00  -0.00   0.00    -0.12   0.02  -0.01
     6   6    -0.00  -0.01   0.00     0.00   0.00  -0.00    -0.01  -0.07   0.01
     7   6    -0.00  -0.00  -0.02    -0.00   0.00  -0.01     0.02  -0.03  -0.02
     8   6    -0.01  -0.01   0.01     0.00   0.00   0.01    -0.03  -0.05   0.02
     9   6    -0.00   0.00  -0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
    10   6     0.00  -0.00  -0.00     0.00   0.00  -0.01    -0.00  -0.00  -0.00
    11   6     0.01   0.00   0.01    -0.00   0.00   0.00     0.06   0.01   0.00
    12   6     0.01  -0.00   0.00    -0.00   0.00  -0.00     0.05   0.00   0.01
    13   6    -0.00   0.01   0.01     0.00  -0.00   0.00    -0.05   0.06   0.01
    14   6    -0.01  -0.01  -0.00     0.00   0.00  -0.00    -0.09  -0.08  -0.00
    15   7    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.01   0.01  -0.00
    16   6     0.00   0.00  -0.00     0.00  -0.00  -0.00     0.01   0.01  -0.00
    17   6     0.00  -0.00   0.00     0.00   0.00  -0.00     0.01  -0.01   0.00
    18   7     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.01  -0.00
    19   6     0.00   0.01  -0.00    -0.00  -0.00   0.00     0.00   0.04  -0.00
    20   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.01  -0.00
    21   6    -0.00  -0.00  -0.00    -0.00   0.00   0.01     0.00  -0.00  -0.01
    22   6     0.00  -0.01   0.00     0.00   0.00  -0.00     0.02  -0.03   0.00
    23   6     0.01   0.01   0.01     0.00  -0.00  -0.00     0.04   0.09   0.04
    24   6     0.01  -0.02  -0.02    -0.00   0.00   0.00     0.08  -0.07  -0.05
    25   6     0.00   0.00   0.00    -0.00  -0.01  -0.01     0.01   0.01   0.01
    26   6    -0.01  -0.01   0.02     0.00   0.00  -0.00    -0.02  -0.05   0.09
    27   6    -0.01  -0.01   0.01     0.00   0.00  -0.00    -0.03  -0.09   0.02
    28   6    -0.01   0.01   0.01     0.00  -0.00  -0.00    -0.07   0.07   0.06
    29   6     0.01   0.01  -0.01    -0.00  -0.00   0.00     0.00   0.06  -0.09
    30   6     0.01   0.01   0.00    -0.00  -0.00   0.00     0.02   0.11  -0.02
    31   6    -0.02   0.00  -0.01    -0.00   0.00   0.00    -0.05   0.03  -0.08
    32   6    -0.01  -0.00  -0.01     0.00  -0.00  -0.00    -0.07   0.05  -0.03
    33   6    -0.01  -0.01   0.00    -0.00   0.00   0.00    -0.04  -0.09  -0.04
    34   6     0.02  -0.01   0.00     0.00  -0.00  -0.00     0.04  -0.05   0.08
    35   6     0.01  -0.00   0.01    -0.00   0.00   0.00     0.06  -0.08   0.04
    36   6    -0.00  -0.00  -0.00     0.01  -0.01   0.01    -0.00  -0.00  -0.01
    37   6    -0.00   0.00   0.00     0.01   0.01   0.01     0.00   0.01   0.01
    38   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.01    -0.01  -0.01  -0.01
    39   6     0.00  -0.00   0.00    -0.01   0.01   0.01    -0.00   0.00   0.01
    40   6     0.00  -0.00  -0.00    -0.01  -0.00   0.00    -0.00  -0.01  -0.00
    41   7     0.00  -0.01   0.05     0.00  -0.00   0.01    -0.02  -0.02  -0.01
    42   7     0.00   0.01  -0.06     0.00  -0.00   0.00    -0.02   0.00   0.02
    43   7    -0.00  -0.00   0.00     0.00   0.01  -0.07    -0.00   0.00  -0.00
    44   6    -0.02  -0.04   0.11     0.00   0.00  -0.00    -0.01  -0.04  -0.07
    45   6     0.01   0.02  -0.11    -0.00  -0.00   0.00     0.06  -0.05   0.05
    46   6     0.02   0.03  -0.11    -0.00  -0.00   0.01     0.05   0.01   0.03
    47   6    -0.01  -0.02   0.12     0.00  -0.00  -0.01    -0.00   0.06  -0.01
    48   6    -0.01   0.01  -0.10    -0.00   0.00  -0.02     0.03  -0.05  -0.01
    49   6     0.03  -0.01   0.10     0.00  -0.00   0.02     0.05   0.02  -0.02
    50   6     0.02  -0.01   0.10     0.00  -0.00   0.02     0.03   0.06  -0.03
    51   6    -0.03   0.02  -0.10    -0.00   0.00  -0.02    -0.04   0.03   0.05
    52   6     0.00   0.00  -0.01    -0.02  -0.04   0.16    -0.00  -0.00   0.01
    53   6    -0.00  -0.00   0.01     0.01   0.04  -0.15     0.00  -0.00  -0.01
    54   6    -0.00  -0.00   0.01     0.02   0.03  -0.15     0.01   0.00  -0.01
    55   6     0.00   0.00  -0.01    -0.01  -0.04   0.16     0.00   0.00   0.01
    56   6     0.01  -0.03   0.08    -0.00   0.00  -0.00     0.12  -0.02  -0.03
    57   6    -0.00   0.01  -0.05     0.00   0.00   0.00    -0.00  -0.02  -0.00
    58   6    -0.01  -0.02   0.09     0.00   0.00  -0.00    -0.01   0.01  -0.03
    59   6    -0.01   0.03  -0.02     0.00  -0.00   0.00    -0.08   0.10   0.02
    60   6    -0.02   0.00  -0.03     0.00   0.00   0.00    -0.13  -0.07  -0.01
    61   6    -0.01  -0.02   0.08     0.00   0.00  -0.00    -0.03   0.00  -0.03
    62   6     0.01   0.02  -0.04    -0.00  -0.00   0.00    -0.01   0.03   0.04
    63   6     0.01  -0.03   0.08    -0.00   0.00  -0.00     0.15  -0.03  -0.02
    64   6    -0.00   0.02  -0.07    -0.01  -0.00  -0.01     0.11   0.10   0.01
    65   6     0.01  -0.01   0.04     0.00   0.00   0.01     0.01  -0.03  -0.03
    66   6    -0.02   0.01  -0.07    -0.00   0.00  -0.01    -0.02  -0.01   0.02
    67   6    -0.01  -0.01   0.03     0.00  -0.00   0.00    -0.14  -0.01   0.01
    68   6     0.00  -0.03   0.02     0.00   0.00   0.00    -0.02  -0.13  -0.02
    69   6    -0.02   0.01  -0.07    -0.00   0.00  -0.01    -0.01  -0.01   0.02
    70   6     0.00  -0.01   0.04     0.00  -0.00   0.01    -0.02   0.02   0.01
    71   6     0.00   0.03  -0.07    -0.00   0.00  -0.01     0.09   0.08   0.01
    72   6     0.00   0.00  -0.00    -0.00  -0.03   0.10     0.01  -0.01   0.01
    73   6    -0.00  -0.00   0.00     0.00   0.02  -0.06    -0.00  -0.00  -0.00
    74   6     0.00   0.00  -0.01    -0.01  -0.03   0.11    -0.00   0.00   0.01
    75   6    -0.00  -0.00   0.00     0.00   0.01  -0.04    -0.00   0.01  -0.00
    76   6    -0.00  -0.00   0.00     0.01   0.01  -0.04    -0.01  -0.00  -0.00
    77   6     0.00   0.00  -0.01    -0.01  -0.03   0.12    -0.00   0.00   0.01
    78   6    -0.00  -0.00   0.00     0.01   0.01  -0.06     0.00   0.00  -0.00
    79   6     0.00   0.00  -0.00    -0.02  -0.03   0.10     0.00  -0.00   0.01
    80   1     0.00   0.01   0.00     0.00   0.00   0.00    -0.01   0.03   0.00
    81   1     0.01  -0.00   0.02    -0.00  -0.00  -0.01     0.06  -0.01   0.03
    82   1    -0.01   0.01  -0.01     0.00  -0.00   0.00    -0.11   0.07   0.00
    83   1    -0.00  -0.01   0.03    -0.00   0.00  -0.00     0.02  -0.07   0.05
    84   1     0.00   0.01   0.00    -0.00  -0.00   0.02     0.04   0.04  -0.00
    85   1    -0.00   0.01  -0.02     0.00  -0.00   0.01    -0.02   0.07  -0.05
    86   1    -0.00  -0.02  -0.03     0.00   0.00  -0.01    -0.06  -0.12  -0.04
    87   1     0.00   0.01   0.00    -0.00  -0.00  -0.01     0.01   0.04   0.00
    88   1     0.00  -0.00   0.00    -0.00  -0.00  -0.03     0.01  -0.01   0.01
    89   1     0.01  -0.00  -0.00    -0.00  -0.00  -0.02     0.03  -0.03   0.00
    90   1    -0.03  -0.00   0.01     0.00  -0.00  -0.00    -0.10   0.04   0.09
    91   1    -0.00  -0.04  -0.04    -0.00   0.00   0.00     0.06  -0.12  -0.07
    92   1     0.01  -0.03  -0.05    -0.00   0.00   0.00     0.07  -0.05  -0.11
    93   1    -0.01   0.01   0.00     0.00  -0.00   0.00    -0.08   0.11   0.03
    94   1    -0.03  -0.01   0.00    -0.00   0.00   0.01    -0.07  -0.08  -0.07
    95   1    -0.01   0.02   0.02    -0.00  -0.00  -0.00     0.00   0.11   0.04
    96   1     0.01   0.02   0.02     0.00  -0.00  -0.00     0.05   0.07   0.09
    97   1    -0.01  -0.01   0.01    -0.00   0.01   0.00    -0.02  -0.13  -0.01
    98   1    -0.00  -0.00  -0.00     0.01  -0.01  -0.01    -0.01  -0.01  -0.02
    99   1    -0.00   0.00   0.00     0.00  -0.03  -0.04     0.01   0.01   0.02
   100   1     0.00   0.00   0.00    -0.02  -0.02  -0.04     0.01   0.01   0.02
   101   1     0.00  -0.00  -0.00    -0.01  -0.01  -0.01    -0.01  -0.01  -0.01
   102   1     0.03   0.00   0.01    -0.00  -0.00  -0.00     0.13  -0.01   0.07
   103   1     0.01   0.08  -0.25     0.00  -0.00   0.01    -0.06   0.02   0.15
   104   1     0.03   0.05  -0.16    -0.00  -0.00   0.01     0.09  -0.03   0.12
   105   1     0.02   0.12  -0.33     0.00  -0.01   0.01    -0.07   0.09   0.17
   106   1     0.02   0.09  -0.35     0.00  -0.00   0.02    -0.14  -0.10   0.05
   107   1     0.03   0.04  -0.17    -0.00  -0.00   0.01     0.09  -0.07  -0.02
   108   1     0.01   0.07  -0.27     0.00  -0.00   0.01    -0.10  -0.03   0.02
   109   1     0.02  -0.01  -0.01    -0.00   0.00   0.00     0.16  -0.10  -0.08
   110   1     0.01   0.01   0.01    -0.00  -0.01  -0.00     0.08   0.15   0.07
   111   1     0.04  -0.04   0.24     0.01  -0.01   0.04    -0.08  -0.03   0.02
   112   1     0.04  -0.01   0.15     0.01  -0.01   0.02     0.05   0.10   0.04
   113   1     0.05  -0.06   0.30     0.01  -0.01   0.05    -0.15   0.01   0.00
   114   1     0.06  -0.09   0.29     0.01  -0.01   0.05    -0.01  -0.13  -0.11
   115   1     0.05  -0.02   0.13     0.01  -0.01   0.03     0.07   0.06  -0.09
   116   1     0.04  -0.06   0.22     0.01  -0.01   0.04    -0.04  -0.06  -0.11
   117   1     0.03   0.01  -0.01     0.00  -0.00   0.00     0.11   0.08  -0.07
   118   1     0.00  -0.00   0.00     0.01   0.01   0.00     0.02   0.00   0.00
   119   1    -0.00  -0.00   0.02     0.02   0.09  -0.34    -0.01   0.01  -0.01
   120   1    -0.00  -0.00   0.01     0.02   0.06  -0.21     0.01   0.00  -0.01
   121   1    -0.00  -0.01   0.02     0.04   0.13  -0.45    -0.00   0.01  -0.02
   122   1    -0.00  -0.01   0.02     0.05   0.13  -0.45    -0.00   0.00  -0.02
   123   1    -0.00  -0.00   0.01     0.02   0.06  -0.22     0.01   0.00  -0.01
   124   1    -0.00  -0.00   0.02     0.04   0.09  -0.35    -0.00   0.00  -0.02
   125   1    -0.00  -0.00   0.00    -0.01   0.01  -0.00     0.01  -0.00  -0.00
   126  17     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
                    124                    125                    126
                      A                      A                      A
 Frequencies --    741.9233               749.8623               752.1707
 Red. masses --      4.5732                 4.3403                 4.4898
 Frc consts  --      1.4832                 1.4379                 1.4966
 IR Inten    --      2.8105                 1.5175                 0.5744
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.09    -0.00   0.00  -0.01    -0.00   0.00  -0.06
     2   6     0.00   0.02   0.07     0.00   0.00  -0.00    -0.05  -0.02  -0.01
     3   6     0.01   0.01  -0.08     0.00   0.00  -0.03    -0.03  -0.02   0.06
     4   6     0.01  -0.00   0.12     0.00  -0.00   0.03     0.00  -0.02   0.00
     5   6    -0.00  -0.02  -0.05     0.01   0.00  -0.01     0.06  -0.01  -0.01
     6   6    -0.02   0.00   0.07     0.00   0.01   0.01     0.03   0.01  -0.01
     7   6    -0.02   0.00  -0.14    -0.00   0.00   0.02    -0.02   0.00  -0.06
     8   6    -0.01   0.00   0.17    -0.00   0.00  -0.02    -0.00   0.02  -0.00
     9   6    -0.00   0.01  -0.05    -0.01  -0.01  -0.02     0.00   0.01   0.02
    10   6    -0.00   0.01  -0.02    -0.01  -0.01   0.01     0.01  -0.00  -0.02
    11   6    -0.02   0.01   0.07    -0.01  -0.00   0.00    -0.04  -0.01   0.01
    12   6    -0.01   0.01  -0.10    -0.00  -0.00   0.03    -0.00  -0.00   0.06
    13   6     0.02   0.00   0.08     0.01  -0.00  -0.01     0.03   0.00   0.00
    14   6     0.02  -0.00  -0.07     0.01   0.01   0.02     0.05   0.05   0.01
    15   7     0.00   0.00  -0.00    -0.01   0.00   0.01    -0.00   0.02  -0.00
    16   6     0.00  -0.01   0.03    -0.00   0.01  -0.00    -0.01   0.00  -0.03
    17   6     0.00  -0.00  -0.01    -0.01   0.00   0.05     0.01   0.00   0.02
    18   7    -0.00   0.01   0.00    -0.01  -0.01  -0.02     0.02  -0.01   0.00
    19   6    -0.00  -0.01  -0.00     0.02  -0.01  -0.02    -0.00  -0.01   0.02
    20   6     0.00   0.01   0.01     0.02  -0.02  -0.01    -0.01  -0.00  -0.01
    21   6    -0.00   0.00  -0.01    -0.00  -0.00  -0.08     0.00   0.00   0.03
    22   6     0.00   0.00   0.01    -0.01  -0.01  -0.01     0.01  -0.00  -0.01
    23   6     0.06  -0.06  -0.10    -0.01  -0.01   0.00    -0.10   0.09   0.16
    24   6    -0.04  -0.07  -0.10    -0.02  -0.05  -0.06    -0.05  -0.11  -0.14
    25   6    -0.01  -0.02  -0.02     0.04   0.18   0.22    -0.02  -0.04  -0.05
    26   6     0.02   0.05   0.06     0.00   0.02   0.03     0.00   0.06   0.06
    27   6     0.01  -0.03  -0.07    -0.01  -0.01  -0.04    -0.02  -0.02  -0.10
    28   6     0.04   0.08   0.11     0.02   0.04   0.06     0.05   0.10   0.14
    29   6    -0.02  -0.05  -0.06    -0.00  -0.02  -0.03    -0.01  -0.06  -0.07
    30   6     0.00   0.02   0.08     0.01   0.01   0.04     0.01   0.02   0.09
    31   6    -0.03   0.03   0.07     0.01  -0.01   0.01     0.03  -0.05  -0.08
    32   6     0.02  -0.04  -0.07     0.01  -0.01   0.01    -0.03   0.02   0.10
    33   6    -0.07   0.07   0.11     0.01   0.01  -0.00     0.10  -0.09  -0.16
    34   6     0.04  -0.03  -0.06    -0.01   0.01  -0.01    -0.04   0.05   0.08
    35   6    -0.02   0.03   0.07    -0.01   0.01  -0.01     0.03  -0.02  -0.10
    36   6     0.00   0.00   0.02    -0.04  -0.07  -0.11     0.00   0.00   0.03
    37   6    -0.01  -0.01  -0.01     0.00   0.05   0.14    -0.01  -0.02  -0.02
    38   6     0.01   0.02   0.03    -0.04  -0.18  -0.22     0.02   0.03   0.05
    39   6     0.00  -0.00  -0.02     0.03   0.07   0.12    -0.01  -0.00  -0.04
    40   6     0.01   0.02   0.01    -0.00  -0.06  -0.13     0.00   0.03   0.02
    41   7    -0.00  -0.00   0.02     0.00   0.00   0.00     0.01  -0.00   0.01
    42   7     0.00  -0.00   0.02     0.00   0.00  -0.00     0.01   0.01  -0.01
    43   7     0.00  -0.00   0.01     0.00  -0.02   0.01     0.01   0.00  -0.00
    44   6     0.02   0.01  -0.06     0.01  -0.00  -0.00     0.03  -0.01   0.01
    45   6     0.01  -0.00   0.06     0.01   0.00   0.00     0.02   0.02   0.00
    46   6    -0.04  -0.00   0.06    -0.01   0.01   0.00    -0.03   0.01   0.01
    47   6    -0.01   0.00  -0.07    -0.01  -0.01  -0.01    -0.01  -0.01  -0.03
    48   6     0.01   0.01  -0.06    -0.00   0.01   0.01    -0.02   0.00   0.03
    49   6     0.02   0.02   0.05    -0.01  -0.00  -0.00    -0.02  -0.03  -0.01
    50   6    -0.01  -0.02   0.06    -0.00  -0.01   0.00     0.03   0.00  -0.00
    51   6    -0.02  -0.01  -0.06     0.01  -0.00  -0.01     0.01   0.02  -0.00
    52   6     0.01   0.00  -0.01    -0.01   0.03   0.03     0.01  -0.00   0.00
    53   6     0.00   0.00   0.01    -0.05   0.00  -0.01     0.01   0.01  -0.00
    54   6    -0.01   0.00   0.01     0.02  -0.03  -0.01    -0.01   0.00   0.00
    55   6    -0.00  -0.00  -0.02     0.03  -0.00   0.01    -0.00  -0.01  -0.01
    56   6    -0.05   0.03  -0.04    -0.02   0.01   0.00    -0.06   0.02   0.00
    57   6     0.02   0.00   0.03     0.01   0.00   0.00     0.01   0.00   0.02
    58   6     0.01  -0.01  -0.05     0.00  -0.01  -0.00     0.01  -0.02  -0.00
    59   6     0.01  -0.04   0.01     0.01  -0.01   0.00     0.02  -0.04   0.01
    60   6     0.01  -0.01   0.02     0.01  -0.00   0.00     0.03  -0.00  -0.00
    61   6    -0.01  -0.00  -0.05    -0.01  -0.01  -0.00    -0.01  -0.02  -0.01
    62   6    -0.01   0.00   0.02    -0.01   0.01   0.00    -0.02   0.02  -0.00
    63   6     0.01   0.01  -0.04     0.00   0.00   0.00     0.00   0.01   0.00
    64   6    -0.03  -0.01  -0.03    -0.01  -0.02   0.00     0.02   0.00  -0.00
    65   6     0.01   0.01   0.02    -0.00  -0.00   0.00    -0.01  -0.03  -0.00
    66   6     0.01   0.00  -0.04    -0.00   0.00   0.00    -0.03   0.01   0.01
    67   6     0.01  -0.01   0.01     0.02   0.00  -0.00     0.01   0.01   0.00
    68   6     0.01  -0.02   0.01     0.00   0.02  -0.00    -0.01   0.04  -0.01
    69   6    -0.00  -0.01  -0.04     0.00  -0.00  -0.00    -0.00   0.02   0.00
    70   6    -0.01  -0.01   0.03    -0.00  -0.00  -0.00     0.01   0.00  -0.02
    71   6     0.01   0.04  -0.03    -0.02  -0.01  -0.00    -0.04  -0.04  -0.00
    72   6    -0.02   0.01  -0.01     0.02  -0.02  -0.00    -0.03   0.01   0.00
    73   6     0.00   0.00   0.01    -0.03  -0.01  -0.01     0.00   0.00   0.01
    74   6     0.00  -0.00  -0.01    -0.00   0.04   0.01     0.00  -0.00   0.00
    75   6     0.01  -0.01   0.00     0.02   0.01  -0.00     0.01  -0.02   0.00
    76   6     0.01   0.00   0.00     0.04   0.03  -0.00     0.01   0.00  -0.00
    77   6    -0.00  -0.00  -0.01     0.02   0.02   0.01    -0.01  -0.01  -0.00
    78   6    -0.00   0.00   0.00     0.02  -0.02  -0.02    -0.01   0.01  -0.00
    79   6    -0.00   0.00  -0.01    -0.07   0.02  -0.00    -0.01   0.01   0.00
    80   1     0.02   0.01   0.05    -0.02   0.01  -0.01     0.01   0.04   0.01
    81   1     0.01   0.03   0.12     0.01   0.01   0.07    -0.06  -0.05   0.08
    82   1    -0.01  -0.05  -0.22     0.01   0.00  -0.03     0.07  -0.00   0.07
    83   1    -0.05  -0.00   0.03     0.01   0.01   0.02     0.02   0.00   0.17
    84   1    -0.03   0.02   0.23    -0.01   0.00  -0.13    -0.05   0.00  -0.06
    85   1     0.04   0.01   0.05     0.01   0.00  -0.08     0.02  -0.00  -0.15
    86   1     0.03  -0.01  -0.25     0.01   0.01  -0.01     0.05   0.05  -0.06
    87   1    -0.01  -0.02  -0.06     0.05  -0.00   0.13     0.00  -0.00   0.01
    88   1    -0.00   0.01  -0.02     0.04  -0.04   0.24    -0.01   0.00  -0.06
    89   1     0.01   0.00   0.00    -0.02  -0.01   0.15     0.02  -0.00  -0.09
    90   1     0.06   0.05   0.11     0.02   0.05   0.08     0.05   0.13   0.19
    91   1    -0.02  -0.11  -0.17    -0.02  -0.04  -0.08    -0.05  -0.09  -0.18
    92   1    -0.07  -0.11  -0.17    -0.02  -0.05  -0.08    -0.06  -0.11  -0.17
    93   1     0.00   0.05   0.12     0.02   0.04   0.08     0.04   0.11   0.20
    94   1    -0.06   0.03   0.12     0.02   0.00  -0.00     0.12  -0.11  -0.22
    95   1     0.07  -0.10  -0.17    -0.01  -0.02   0.01    -0.10   0.08   0.21
    96   1     0.10  -0.07  -0.17    -0.02  -0.01   0.00    -0.11   0.08   0.20
    97   1    -0.03   0.06   0.12     0.01   0.01  -0.01     0.11  -0.10  -0.23
    98   1     0.01   0.01   0.03    -0.04  -0.19  -0.28     0.02   0.03   0.07
    99   1    -0.02  -0.03  -0.04     0.03   0.18   0.30    -0.03  -0.04  -0.06
   100   1    -0.01  -0.02  -0.04     0.03   0.19   0.29    -0.03  -0.03  -0.06
   101   1     0.02   0.02   0.03    -0.04  -0.18  -0.30     0.02   0.05   0.07
   102   1    -0.08  -0.02  -0.02    -0.03  -0.01  -0.02    -0.08  -0.00  -0.08
   103   1     0.02  -0.05   0.11     0.01  -0.00  -0.02     0.04  -0.01  -0.09
   104   1    -0.04  -0.04   0.06    -0.01  -0.00  -0.02    -0.03   0.01  -0.09
   105   1     0.01  -0.07   0.15     0.01  -0.01  -0.01     0.03  -0.02  -0.05
   106   1    -0.00  -0.03   0.17     0.01   0.01   0.00     0.02   0.03   0.02
   107   1    -0.02  -0.04   0.08    -0.00  -0.01  -0.00    -0.02  -0.03   0.02
   108   1    -0.02  -0.02   0.14    -0.00   0.01   0.01     0.00   0.02   0.05
   109   1     0.01  -0.03   0.01     0.00  -0.01   0.00    -0.00  -0.03   0.03
   110   1    -0.00  -0.05  -0.00    -0.01  -0.02  -0.02    -0.01   0.04  -0.01
   111   1     0.03  -0.00   0.12     0.01   0.00  -0.02     0.00  -0.02  -0.03
   112   1     0.03  -0.03   0.07    -0.01  -0.01  -0.02    -0.02   0.03  -0.00
   113   1     0.03  -0.02   0.15     0.02  -0.00  -0.01     0.02  -0.02  -0.01
   114   1     0.02  -0.04   0.15    -0.00   0.02   0.01     0.02   0.02   0.04
   115   1     0.04  -0.02   0.06    -0.01  -0.01   0.02    -0.03  -0.01   0.08
   116   1     0.01  -0.04   0.11     0.00   0.01   0.02     0.03   0.02   0.07
   117   1     0.06   0.01  -0.01    -0.02  -0.01   0.02    -0.07  -0.03   0.07
   118   1    -0.02  -0.00  -0.01     0.06   0.03   0.00    -0.04  -0.00  -0.03
   119   1     0.01  -0.01   0.02    -0.03  -0.01  -0.02     0.01  -0.01  -0.04
   120   1    -0.01  -0.01   0.01     0.02   0.04   0.01    -0.01   0.01  -0.03
   121   1     0.01  -0.02   0.03    -0.01  -0.03  -0.01     0.01  -0.02  -0.02
   122   1     0.00  -0.00   0.04     0.03  -0.01   0.03     0.01   0.02   0.01
   123   1    -0.01  -0.01   0.02    -0.03   0.03   0.07    -0.01  -0.01   0.01
   124   1    -0.00  -0.00   0.03     0.04  -0.02   0.05     0.00   0.01   0.02
   125   1    -0.00  -0.00   0.00    -0.08   0.07   0.06    -0.01  -0.01   0.01
   126  17    -0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
                    127                    128                    129
                      A                      A                      A
 Frequencies --    753.9503               755.4968               755.7431
 Red. masses --      2.7853                 1.4696                 1.4884
 Frc consts  --      0.9328                 0.4942                 0.5009
 IR Inten    --      2.6389                 1.4894                 4.1277
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.01  -0.02    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     2   6     0.01   0.02   0.01     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     3   6     0.01   0.01  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
     4   6     0.01  -0.01   0.01     0.00   0.00   0.00     0.00  -0.00   0.00
     5   6     0.03  -0.01  -0.01     0.00   0.00  -0.00     0.01  -0.00  -0.00
     6   6     0.01   0.01   0.01    -0.00   0.01  -0.00     0.00   0.00  -0.00
     7   6    -0.02   0.00  -0.02    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
     8   6    -0.00  -0.00   0.02    -0.00   0.00  -0.00     0.00   0.00  -0.00
     9   6     0.02   0.01  -0.01    -0.00   0.00   0.00     0.00   0.00   0.00
    10   6    -0.02  -0.01  -0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
    11   6    -0.04   0.00   0.01    -0.00  -0.00   0.00    -0.00   0.00   0.00
    12   6    -0.00   0.01  -0.01     0.00  -0.00   0.00    -0.00   0.00   0.00
    13   6    -0.00   0.01   0.01     0.00   0.00  -0.00     0.00  -0.00  -0.00
    14   6    -0.00  -0.00  -0.01     0.00   0.01   0.00     0.01   0.00   0.00
    15   7     0.03   0.02  -0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
    16   6     0.02   0.02   0.01     0.00   0.00   0.00    -0.00  -0.00  -0.00
    17   6    -0.04  -0.03  -0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    18   7    -0.03  -0.06   0.00    -0.00  -0.01   0.00     0.00   0.00  -0.00
    19   6    -0.01   0.09  -0.00     0.00   0.01  -0.00    -0.00  -0.00   0.00
    20   6    -0.02   0.03   0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
    21   6    -0.01  -0.01  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    22   6    -0.03  -0.03   0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    23   6    -0.02  -0.01   0.01    -0.00  -0.00   0.00    -0.01   0.00   0.01
    24   6     0.01  -0.01  -0.01    -0.00  -0.00  -0.00    -0.01  -0.01  -0.01
    25   6     0.06  -0.01   0.01     0.00   0.00   0.00    -0.00  -0.00  -0.00
    26   6     0.00  -0.01   0.02    -0.00   0.00   0.00     0.00   0.01   0.00
    27   6     0.00  -0.02   0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    28   6    -0.01   0.01   0.01     0.00   0.00   0.00     0.01   0.01   0.01
    29   6     0.01   0.01  -0.02    -0.00   0.00   0.00    -0.00  -0.01  -0.01
    30   6     0.01   0.01  -0.00    -0.00   0.00   0.00     0.00  -0.00   0.01
    31   6     0.01  -0.02   0.01     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    32   6     0.01  -0.02   0.02     0.00  -0.00   0.00     0.00  -0.00   0.00
    33   6     0.02   0.01  -0.01     0.00  -0.00  -0.00     0.01  -0.00  -0.01
    34   6    -0.02   0.01  -0.01    -0.00   0.00   0.00    -0.01   0.01   0.00
    35   6    -0.01   0.01  -0.02    -0.00   0.00  -0.00    -0.00   0.00  -0.01
    36   6     0.03   0.05  -0.05     0.00   0.00  -0.00    -0.00  -0.00   0.00
    37   6     0.04   0.05  -0.04     0.00   0.00  -0.00    -0.00  -0.00  -0.00
    38   6    -0.07   0.01  -0.01    -0.00  -0.00  -0.00     0.00   0.00   0.00
    39   6    -0.00  -0.06   0.05     0.00  -0.00   0.01    -0.00   0.00  -0.00
    40   6    -0.01  -0.06   0.04     0.00  -0.00   0.00     0.00   0.00   0.00
    41   7     0.01   0.01   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    42   7    -0.01   0.00  -0.00    -0.00  -0.00   0.00     0.01  -0.00  -0.00
    43   7    -0.03   0.01   0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
    44   6    -0.01  -0.00  -0.02    -0.00  -0.01   0.04     0.01   0.03  -0.08
    45   6     0.01  -0.01   0.00     0.00   0.00  -0.01    -0.00  -0.00   0.03
    46   6     0.01   0.01  -0.00    -0.00  -0.00   0.02    -0.00   0.01  -0.03
    47   6    -0.01   0.00   0.02     0.00   0.01  -0.05    -0.01  -0.03   0.09
    48   6     0.01   0.01   0.04    -0.02   0.02  -0.08    -0.01   0.01  -0.05
    49   6    -0.02  -0.00  -0.01     0.00  -0.00   0.03    -0.00  -0.00   0.02
    50   6     0.00  -0.02   0.01    -0.00   0.00  -0.03    -0.00  -0.00  -0.02
    51   6     0.01   0.01  -0.04     0.02  -0.02   0.08     0.02  -0.01   0.05
    52   6    -0.04   0.00  -0.08     0.00   0.01  -0.04     0.00   0.00  -0.00
    53   6     0.01  -0.04   0.02    -0.00  -0.00   0.01    -0.00   0.00   0.00
    54   6     0.04   0.02  -0.02     0.00   0.00  -0.01    -0.00  -0.00  -0.00
    55   6    -0.03   0.02   0.08    -0.00  -0.01   0.04     0.00  -0.00  -0.00
    56   6     0.02   0.00  -0.00    -0.00  -0.00   0.01    -0.02   0.01  -0.02
    57   6     0.01   0.00  -0.01    -0.00  -0.01   0.03     0.00   0.02  -0.06
    58   6    -0.00  -0.01  -0.01    -0.00  -0.00   0.01     0.00   0.01  -0.02
    59   6    -0.02   0.02  -0.01    -0.00  -0.01   0.03     0.01   0.00  -0.05
    60   6    -0.02  -0.01   0.01     0.00   0.01  -0.02     0.01  -0.01   0.05
    61   6    -0.00   0.00   0.00    -0.00   0.00  -0.01    -0.00  -0.01   0.02
    62   6     0.00  -0.01   0.01     0.00   0.01  -0.03    -0.01  -0.01   0.05
    63   6     0.02  -0.01   0.00     0.00   0.00  -0.01    -0.01  -0.00   0.02
    64   6    -0.02  -0.03   0.01    -0.01  -0.00  -0.02    -0.01  -0.01  -0.01
    65   6    -0.00  -0.01   0.02    -0.01   0.01  -0.05    -0.01   0.00  -0.03
    66   6    -0.01   0.01   0.01    -0.00   0.00  -0.02    -0.00   0.00  -0.01
    67   6     0.04   0.01   0.01    -0.00   0.01  -0.05     0.00   0.01  -0.03
    68   6     0.01   0.04  -0.01     0.01  -0.00   0.05     0.01   0.01   0.03
    69   6     0.01  -0.00  -0.01     0.00  -0.00   0.02     0.00  -0.00   0.01
    70   6    -0.01  -0.00  -0.02     0.01  -0.01   0.05     0.00  -0.01   0.03
    71   6    -0.03  -0.02  -0.01    -0.00  -0.01   0.02    -0.01  -0.01   0.01
    72   6     0.11  -0.01  -0.01     0.00   0.00  -0.01    -0.00   0.00  -0.00
    73   6     0.03   0.01  -0.05     0.00   0.01  -0.02    -0.00  -0.00  -0.00
    74   6    -0.01  -0.02  -0.02     0.00   0.00  -0.01     0.00   0.00   0.00
    75   6    -0.07   0.09  -0.03    -0.00   0.01  -0.02     0.00  -0.00  -0.00
    76   6    -0.10  -0.03   0.03    -0.01  -0.01   0.02     0.00   0.00   0.00
    77   6     0.00   0.03   0.02     0.00   0.00   0.01    -0.00  -0.00  -0.00
    78   6     0.02  -0.03   0.05    -0.00  -0.01   0.02    -0.00   0.00   0.00
    79   6     0.08  -0.05   0.01     0.00  -0.00   0.01    -0.00   0.00   0.00
    80   1     0.02   0.02   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
    81   1     0.02   0.04   0.02     0.00   0.00   0.00    -0.01  -0.00   0.00
    82   1     0.03  -0.02  -0.01    -0.00  -0.00   0.00     0.01  -0.00   0.00
    83   1    -0.01   0.01   0.03     0.00   0.01   0.00    -0.00   0.00   0.00
    84   1    -0.05   0.02   0.04    -0.01  -0.00  -0.00    -0.00  -0.00  -0.01
    85   1     0.00   0.01   0.01    -0.00   0.00  -0.00     0.00  -0.00  -0.01
    86   1    -0.00  -0.01  -0.03     0.01   0.00  -0.00     0.00   0.01  -0.00
    87   1    -0.03   0.09  -0.01    -0.00   0.01   0.00    -0.00  -0.00   0.00
    88   1     0.01  -0.01   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    89   1    -0.03  -0.03   0.02    -0.01  -0.00   0.00    -0.00   0.00  -0.01
    90   1    -0.01  -0.00   0.02     0.00   0.01   0.01     0.01   0.00   0.00
    91   1     0.02  -0.02  -0.01    -0.00   0.01   0.01    -0.01  -0.02  -0.03
    92   1     0.02  -0.01  -0.01    -0.01  -0.01  -0.01    -0.00   0.01   0.01
    93   1    -0.01   0.02   0.02    -0.00  -0.00  -0.00     0.01   0.01   0.02
    94   1     0.03  -0.01  -0.01     0.00   0.01   0.00     0.01   0.00  -0.00
    95   1    -0.03  -0.03   0.01    -0.01   0.01   0.02    -0.01   0.00   0.02
    96   1    -0.04  -0.01   0.01     0.01  -0.01  -0.01    -0.00  -0.00  -0.00
    97   1     0.01   0.02  -0.02     0.01  -0.00  -0.01     0.01  -0.00  -0.02
    98   1    -0.03   0.04  -0.04     0.00   0.00  -0.00     0.00   0.00   0.00
    99   1     0.11   0.01   0.01     0.01   0.01   0.01    -0.00  -0.00  -0.00
   100   1     0.09  -0.05   0.02     0.01  -0.01  -0.00    -0.00  -0.00  -0.00
   101   1    -0.06  -0.04  -0.01    -0.00  -0.01  -0.01     0.00   0.00   0.00
   102   1     0.01  -0.02   0.06     0.01   0.04  -0.16    -0.05  -0.08   0.29
   103   1    -0.01   0.00   0.08     0.02   0.05  -0.19    -0.02  -0.11   0.36
   104   1     0.00  -0.03   0.06     0.01   0.05  -0.18    -0.04  -0.10   0.33
   105   1    -0.01   0.02   0.04     0.01   0.02  -0.08    -0.01  -0.06   0.15
   106   1    -0.02  -0.01  -0.04    -0.01  -0.02   0.08     0.03   0.05  -0.14
   107   1     0.02   0.01  -0.06    -0.02  -0.05   0.16     0.02   0.09  -0.32
   108   1    -0.01   0.00  -0.07    -0.02  -0.05   0.18     0.04   0.10  -0.34
   109   1     0.03  -0.00  -0.06    -0.01  -0.04   0.15     0.01   0.08  -0.28
   110   1    -0.04  -0.01  -0.11     0.05  -0.06   0.27     0.03  -0.04   0.16
   111   1     0.01   0.01  -0.14     0.08  -0.06   0.33     0.05  -0.04   0.19
   112   1    -0.04   0.01  -0.12     0.06  -0.06   0.30     0.03  -0.04   0.18
   113   1     0.03   0.00  -0.06     0.04  -0.03   0.14     0.03  -0.02   0.08
   114   1     0.01   0.03   0.07    -0.03   0.04  -0.14    -0.02   0.03  -0.08
   115   1     0.01  -0.04   0.13    -0.07   0.06  -0.30    -0.04   0.03  -0.18
   116   1     0.02   0.01   0.14    -0.07   0.07  -0.33    -0.04   0.05  -0.19
   117   1    -0.02  -0.04   0.12    -0.07   0.04  -0.27    -0.05   0.02  -0.16
   118   1     0.09  -0.06   0.26    -0.01  -0.03   0.12    -0.00  -0.00  -0.00
   119   1    -0.05   0.01   0.32    -0.01  -0.03   0.15     0.00  -0.00  -0.00
   120   1     0.03  -0.10   0.28    -0.01  -0.04   0.13    -0.00   0.00  -0.00
   121   1    -0.05   0.08   0.16    -0.01  -0.01   0.06     0.00  -0.00  -0.00
   122   1    -0.08  -0.04  -0.16     0.00   0.01  -0.06     0.00   0.00   0.00
   123   1     0.08   0.08  -0.28     0.01   0.04  -0.13    -0.00  -0.00  -0.00
   124   1    -0.04   0.01  -0.33     0.01   0.04  -0.15     0.00   0.00  -0.00
   125   1     0.11   0.01  -0.26     0.01   0.03  -0.12    -0.00   0.00  -0.00
   126  17     0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
                    130                    131                    132
                      A                      A                      A
 Frequencies --    756.4893               757.6459               764.5062
 Red. masses --      2.0350                 4.2218                 1.5566
 Frc consts  --      0.6861                 1.4278                 0.5360
 IR Inten    --      6.2755                 1.8903                43.3956
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.02     0.00  -0.00  -0.13    -0.00  -0.00   0.00
     2   6     0.01   0.01   0.01    -0.01  -0.01   0.05     0.00   0.00   0.00
     3   6     0.01   0.00  -0.00    -0.01  -0.01  -0.04     0.00   0.00  -0.00
     4   6     0.00  -0.00   0.01    -0.00   0.00   0.09     0.00   0.00  -0.00
     5   6     0.02  -0.01  -0.01     0.01   0.01  -0.06    -0.00   0.00   0.00
     6   6     0.00   0.01   0.01     0.01   0.01   0.05    -0.00  -0.00   0.00
     7   6    -0.01   0.00  -0.02     0.01  -0.01  -0.14     0.00   0.00   0.01
     8   6    -0.00  -0.00   0.03     0.00   0.00   0.20     0.00  -0.00  -0.00
     9   6     0.01   0.00  -0.01    -0.00  -0.01  -0.07    -0.00  -0.00   0.00
    10   6    -0.01  -0.01  -0.00     0.00  -0.00  -0.01    -0.00   0.00   0.00
    11   6    -0.02   0.00   0.01     0.02   0.00   0.05     0.00   0.00  -0.00
    12   6    -0.00   0.00  -0.02     0.00  -0.00  -0.16    -0.00   0.00   0.00
    13   6    -0.00   0.00   0.01    -0.01   0.00   0.08    -0.00  -0.00  -0.00
    14   6    -0.00  -0.00  -0.01    -0.01  -0.01  -0.08    -0.00  -0.00   0.00
    15   7     0.02   0.01  -0.00    -0.01  -0.01  -0.01     0.00  -0.00   0.00
    16   6     0.01   0.01   0.01    -0.01  -0.00   0.07     0.00  -0.00  -0.00
    17   6    -0.02  -0.02  -0.01     0.01   0.01  -0.04    -0.00   0.00   0.00
    18   7    -0.02  -0.03   0.00     0.01   0.01   0.01    -0.00   0.00  -0.00
    19   6    -0.01   0.05  -0.00     0.00  -0.03  -0.02     0.00  -0.00   0.00
    20   6    -0.01   0.02   0.00     0.01  -0.01   0.03     0.00   0.00  -0.00
    21   6    -0.01  -0.01  -0.01     0.01   0.00  -0.05    -0.00   0.00   0.00
    22   6    -0.01  -0.02   0.00     0.01   0.01   0.01    -0.00   0.00  -0.00
    23   6    -0.02   0.00   0.01    -0.06   0.07   0.11     0.00  -0.00  -0.01
    24   6     0.01   0.01   0.01     0.02   0.09   0.12     0.00   0.00   0.00
    25   6     0.03  -0.01   0.01    -0.01   0.03   0.03     0.00   0.00   0.00
    26   6     0.00  -0.01   0.00     0.01  -0.03  -0.05     0.00  -0.00  -0.00
    27   6     0.00  -0.01   0.01     0.02   0.03   0.06     0.00   0.00   0.00
    28   6    -0.01  -0.00  -0.01    -0.02  -0.09  -0.11    -0.00  -0.00  -0.00
    29   6     0.00   0.01  -0.00    -0.01   0.03   0.07     0.00   0.00   0.00
    30   6     0.00   0.00  -0.01    -0.02  -0.03  -0.05    -0.00   0.00  -0.00
    31   6     0.01  -0.02   0.00     0.01  -0.03  -0.05     0.00   0.00   0.00
    32   6     0.00  -0.01   0.02    -0.03   0.01   0.06     0.00  -0.00  -0.00
    33   6     0.02   0.00  -0.01     0.06  -0.06  -0.10    -0.00   0.00   0.01
    34   6    -0.01   0.01  -0.00    -0.01   0.03   0.06     0.00  -0.00  -0.00
    35   6    -0.01   0.00  -0.02     0.03  -0.01  -0.05    -0.00  -0.00   0.01
    36   6     0.02   0.03  -0.03    -0.02  -0.02  -0.00    -0.00   0.00  -0.00
    37   6     0.02   0.04  -0.02    -0.01  -0.01   0.03     0.00   0.00   0.00
    38   6    -0.04   0.01  -0.01     0.01  -0.03  -0.03    -0.00  -0.00  -0.00
    39   6    -0.00  -0.04   0.02     0.01   0.02   0.01     0.00  -0.00   0.00
    40   6    -0.00  -0.04   0.02     0.00   0.01  -0.03     0.00  -0.00  -0.00
    41   7     0.01   0.01   0.00     0.01  -0.01   0.01    -0.01   0.01  -0.05
    42   7    -0.01   0.00   0.00    -0.00  -0.01   0.01    -0.00  -0.00   0.01
    43   7    -0.03   0.01  -0.00     0.01  -0.01   0.00    -0.00  -0.00   0.00
    44   6    -0.01  -0.01   0.01    -0.01   0.01   0.00     0.00   0.01  -0.02
    45   6     0.00  -0.00  -0.00    -0.02  -0.00   0.00    -0.00  -0.00   0.00
    46   6     0.01   0.00   0.01     0.01  -0.01  -0.00    -0.00  -0.00   0.00
    47   6    -0.00   0.01  -0.01     0.01  -0.00   0.01     0.00   0.01  -0.02
    48   6    -0.01   0.02  -0.02    -0.01  -0.01   0.01     0.02  -0.02   0.11
    49   6    -0.01  -0.00   0.01    -0.01  -0.02  -0.00    -0.00   0.00  -0.02
    50   6     0.00  -0.01  -0.01     0.02   0.01  -0.00    -0.00   0.00  -0.02
    51   6     0.02  -0.00   0.02     0.00   0.01   0.01     0.02  -0.02   0.11
    52   6    -0.04  -0.04   0.08     0.01   0.01  -0.01     0.00   0.00  -0.01
    53   6     0.01  -0.02  -0.03    -0.01   0.01   0.01    -0.00  -0.00   0.00
    54   6     0.02   0.01   0.03    -0.00  -0.01  -0.01    -0.00  -0.00   0.00
    55   6    -0.01   0.05  -0.08     0.01  -0.02   0.02     0.00   0.00  -0.01
    56   6     0.02  -0.00   0.00     0.02  -0.01  -0.01     0.00  -0.00   0.00
    57   6     0.00  -0.00   0.01    -0.01  -0.00  -0.01    -0.00  -0.00   0.01
    58   6    -0.00  -0.00   0.00    -0.00   0.02   0.00    -0.00  -0.00   0.00
    59   6    -0.01   0.01   0.01     0.01   0.01  -0.01    -0.00  -0.00   0.01
    60   6    -0.01  -0.00  -0.01     0.01   0.01   0.00    -0.00  -0.00   0.01
    61   6     0.00   0.01  -0.00     0.01   0.01   0.00    -0.00  -0.00   0.00
    62   6     0.01  -0.00  -0.01     0.01  -0.01  -0.00    -0.00  -0.00   0.01
    63   6     0.01  -0.01  -0.01    -0.03   0.01  -0.00     0.00  -0.00   0.00
    64   6    -0.01  -0.02  -0.01     0.02   0.02  -0.00    -0.00   0.00  -0.02
    65   6    -0.01  -0.01  -0.02    -0.00  -0.01  -0.00    -0.01   0.01  -0.07
    66   6    -0.01   0.01  -0.00    -0.02   0.01   0.00    -0.00   0.00  -0.02
    67   6     0.02   0.01  -0.02    -0.01   0.00  -0.00    -0.01   0.01  -0.06
    68   6     0.01   0.02   0.02    -0.01   0.01  -0.00    -0.01   0.01  -0.06
    69   6     0.01  -0.00   0.00    -0.01   0.02   0.00    -0.01   0.00  -0.02
    70   6    -0.00  -0.01   0.02     0.01   0.00  -0.01    -0.01   0.01  -0.07
    71   6    -0.02  -0.02   0.01    -0.01  -0.02  -0.01    -0.00   0.00  -0.02
    72   6     0.07  -0.01   0.03    -0.03  -0.00  -0.01     0.00  -0.00   0.00
    73   6     0.02  -0.01   0.06    -0.01  -0.00  -0.01    -0.00  -0.00   0.00
    74   6    -0.01  -0.02   0.01     0.00   0.02  -0.00    -0.00  -0.00   0.00
    75   6    -0.05   0.04   0.06     0.02  -0.02  -0.01    -0.00  -0.00   0.00
    76   6    -0.06   0.00  -0.06     0.03   0.01   0.01    -0.00  -0.00   0.00
    77   6     0.01   0.03  -0.01     0.00  -0.01   0.00     0.00  -0.00   0.00
    78   6     0.02  -0.00  -0.06    -0.01   0.00   0.01    -0.00  -0.00   0.00
    79   6     0.06  -0.03  -0.03    -0.03   0.02   0.00     0.00  -0.00   0.00
    80   1     0.01   0.01   0.01    -0.01  -0.01   0.03    -0.00  -0.00  -0.00
    81   1     0.01   0.02   0.03    -0.02  -0.03   0.19     0.00   0.00  -0.01
    82   1     0.02  -0.01  -0.01     0.01   0.01  -0.07    -0.00  -0.00  -0.00
    83   1    -0.00   0.01   0.03     0.02   0.01   0.20    -0.00  -0.00  -0.01
    84   1    -0.03   0.01   0.06     0.03  -0.01   0.42     0.00   0.00  -0.01
    85   1    -0.00   0.00   0.03    -0.02  -0.00   0.23     0.00  -0.00  -0.00
    86   1    -0.00  -0.00  -0.03    -0.01  -0.01  -0.17    -0.00  -0.00   0.01
    87   1    -0.02   0.05  -0.01     0.01  -0.03  -0.08    -0.00  -0.00   0.00
    88   1     0.00  -0.00   0.00     0.00  -0.00   0.04     0.00   0.00   0.00
    89   1    -0.02  -0.02   0.01     0.00   0.01   0.11    -0.00   0.00  -0.00
    90   1    -0.01  -0.01  -0.01    -0.02  -0.13  -0.19     0.00   0.00   0.00
    91   1     0.02  -0.00   0.01     0.02   0.06   0.11     0.00   0.00   0.00
    92   1     0.01   0.00   0.00     0.00   0.07   0.11     0.00   0.00   0.00
    93   1    -0.01  -0.00  -0.02    -0.05  -0.13  -0.18    -0.00   0.00  -0.00
    94   1     0.02  -0.01  -0.01     0.08  -0.10  -0.17     0.00   0.01   0.01
    95   1    -0.02  -0.01   0.02    -0.05   0.04   0.10     0.01  -0.00  -0.01
    96   1    -0.02  -0.01   0.01    -0.03   0.06   0.11     0.00  -0.01  -0.01
    97   1     0.02   0.00  -0.03     0.10  -0.09  -0.17    -0.01  -0.00   0.01
    98   1    -0.02   0.01  -0.03    -0.01  -0.05  -0.04    -0.00   0.00  -0.00
    99   1     0.05  -0.02  -0.03    -0.03   0.03   0.04     0.00   0.00   0.00
   100   1     0.05  -0.01   0.04    -0.02   0.03   0.02     0.00   0.00   0.00
   101   1    -0.03  -0.01   0.01     0.01  -0.04  -0.06     0.00   0.00  -0.00
   102   1     0.02   0.01  -0.04     0.03   0.00   0.05     0.01   0.01  -0.05
   103   1     0.00   0.03  -0.05    -0.02  -0.02   0.06     0.01   0.02  -0.07
   104   1     0.01   0.01  -0.05     0.01   0.00   0.07     0.01   0.02  -0.06
   105   1    -0.00   0.02  -0.02    -0.01  -0.02   0.04     0.00   0.01  -0.03
   106   1    -0.02  -0.02   0.02     0.01  -0.01   0.02     0.00   0.01  -0.03
   107   1     0.00  -0.01   0.05    -0.01   0.02   0.03     0.01   0.02  -0.07
   108   1    -0.01  -0.03   0.05     0.02  -0.01   0.02     0.01   0.02  -0.07
   109   1     0.01  -0.02   0.05    -0.03   0.03   0.02     0.01   0.02  -0.06
   110   1     0.01  -0.04   0.09     0.01   0.04   0.02     0.06  -0.06   0.31
   111   1     0.05  -0.03   0.10    -0.01  -0.02   0.03     0.09  -0.07   0.41
   112   1     0.01  -0.02   0.10     0.00   0.02   0.03     0.08  -0.07   0.37
   113   1     0.04  -0.02   0.04    -0.00  -0.01   0.02     0.03  -0.03   0.16
   114   1    -0.01   0.04  -0.03     0.02  -0.01   0.03     0.03  -0.03   0.16
   115   1    -0.03   0.01  -0.09    -0.01  -0.00   0.06     0.08  -0.07   0.37
   116   1    -0.03   0.04  -0.10     0.03  -0.01   0.05     0.09  -0.08   0.41
   117   1    -0.05   0.00  -0.08    -0.03  -0.01   0.04     0.07  -0.05   0.31
   118   1     0.11   0.07  -0.28    -0.03  -0.01   0.06     0.00   0.00  -0.02
   119   1     0.02   0.16  -0.34    -0.01  -0.05   0.07     0.00   0.01  -0.03
   120   1     0.06   0.07  -0.33    -0.01  -0.00   0.07     0.00   0.01  -0.02
   121   1    -0.01   0.13  -0.13     0.01  -0.05   0.03     0.00   0.00  -0.01
   122   1    -0.09  -0.10   0.13     0.03   0.03  -0.01     0.00   0.00  -0.01
   123   1     0.01  -0.09   0.34    -0.01   0.02  -0.05     0.00   0.01  -0.02
   124   1    -0.08  -0.15   0.35     0.03   0.04  -0.04     0.00   0.01  -0.02
   125   1     0.04  -0.12   0.29    -0.03   0.04  -0.04     0.00   0.00  -0.02
   126  17     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00   0.00
                    133                    134                    135
                      A                      A                      A
 Frequencies --    764.7512               764.7998               767.3694
 Red. masses --      1.5481                 1.5451                 5.6856
 Frc consts  --      0.5334                 0.5325                 1.9726
 IR Inten    --     23.6656               163.6216                 1.4102
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.03  -0.05   0.02
     2   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.04  -0.06  -0.01
     3   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.04  -0.07   0.04
     4   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.03   0.04  -0.04
     5   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.07   0.06   0.01
     6   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.05   0.05  -0.02
     7   6    -0.00   0.00   0.00    -0.00  -0.00   0.00     0.00  -0.08  -0.02
     8   6    -0.00  -0.00  -0.01    -0.00   0.00  -0.00    -0.05   0.01   0.01
     9   6    -0.00   0.00   0.00     0.00   0.00   0.00    -0.03   0.00   0.00
    10   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00     0.03   0.01   0.00
    11   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.01  -0.07  -0.01
    12   6     0.00   0.00   0.00     0.00  -0.00   0.00     0.06  -0.02   0.01
    13   6     0.00  -0.00  -0.00     0.00   0.00  -0.00     0.02   0.07  -0.00
    14   6     0.00   0.00   0.00     0.00   0.00   0.00     0.03   0.08  -0.00
    15   7    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.01  -0.02  -0.01
    16   6    -0.00   0.00  -0.01     0.00  -0.00  -0.00     0.01   0.02   0.04
    17   6    -0.00  -0.00   0.01     0.00  -0.00   0.00    -0.02  -0.02  -0.04
    18   7    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.01  -0.07   0.01
    19   6     0.00   0.00   0.00    -0.00   0.00   0.00     0.02   0.06  -0.01
    20   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.02   0.02   0.01
    21   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.03  -0.01  -0.02
    22   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.04  -0.01   0.01
    23   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00   0.01   0.00
    24   6    -0.00  -0.01  -0.01    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    25   6     0.00   0.00   0.00    -0.00  -0.01  -0.01     0.01   0.01   0.01
    26   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.03   0.02  -0.01
    27   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.03   0.03  -0.02
    28   6     0.00   0.01   0.01     0.00   0.00   0.00     0.03  -0.01  -0.00
    29   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.04  -0.01   0.02
    30   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.03  -0.00   0.01
    31   6     0.00   0.00   0.00     0.00   0.00   0.00     0.01   0.03  -0.01
    32   6     0.00  -0.00  -0.00     0.00   0.00  -0.00     0.01   0.04  -0.01
    33   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.02  -0.02  -0.00
    34   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.04   0.01   0.02
    35   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.03   0.01   0.01
    36   6    -0.00   0.00  -0.00     0.00   0.00   0.00     0.02   0.00  -0.01
    37   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.02   0.01   0.00
    38   6    -0.00  -0.00  -0.00     0.00   0.01   0.01    -0.02  -0.01  -0.02
    39   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.01  -0.01   0.02
    40   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.01  -0.01  -0.00
    41   7    -0.00   0.00  -0.01    -0.00   0.00  -0.01    -0.03  -0.03   0.00
    42   7     0.00   0.01  -0.05     0.00   0.00  -0.02     0.05  -0.01  -0.00
    43   7    -0.00  -0.00   0.02     0.00   0.01  -0.05    -0.02   0.00   0.00
    44   6    -0.01  -0.03   0.10    -0.00  -0.01   0.05     0.09   0.00   0.01
    45   6     0.00   0.01  -0.02     0.00   0.00  -0.01     0.01   0.06   0.01
    46   6     0.00   0.00  -0.02     0.00   0.00  -0.01    -0.02  -0.05  -0.01
    47   6    -0.01  -0.02   0.09    -0.00  -0.01   0.04     0.08  -0.05  -0.00
    48   6     0.00  -0.00   0.01     0.00  -0.00   0.01    -0.04  -0.08  -0.00
    49   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.04  -0.04  -0.01
    50   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.04   0.04   0.01
    51   6     0.00  -0.00   0.01     0.00  -0.00   0.01    -0.08  -0.04   0.01
    52   6     0.00   0.01  -0.05    -0.01  -0.02   0.09    -0.04   0.00  -0.01
    53   6    -0.00  -0.00   0.01     0.00   0.00  -0.02    -0.01  -0.03  -0.01
    54   6    -0.00  -0.00   0.01     0.00   0.01  -0.02     0.01   0.02   0.01
    55   6     0.00   0.01  -0.05    -0.01  -0.03   0.10    -0.03   0.03  -0.00
    56   6     0.00   0.00  -0.01    -0.00   0.00  -0.01    -0.13  -0.03  -0.02
    57   6     0.01   0.02  -0.06     0.00   0.01  -0.03    -0.11  -0.04  -0.02
    58   6     0.00   0.00  -0.02     0.00   0.00  -0.01     0.01   0.10   0.03
    59   6     0.00   0.02  -0.05     0.00   0.01  -0.02     0.12  -0.07  -0.01
    60   6     0.01   0.02  -0.05     0.00   0.01  -0.02     0.14   0.00   0.01
    61   6     0.00   0.01  -0.02     0.00   0.00  -0.01    -0.04  -0.09  -0.03
    62   6     0.01   0.02  -0.06     0.00   0.01  -0.03    -0.07   0.09   0.02
    63   6     0.00   0.00  -0.02     0.00   0.00  -0.01    -0.10   0.09   0.02
    64   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.04   0.12   0.01
    65   6    -0.00   0.00  -0.01    -0.00   0.00  -0.01     0.02   0.11   0.02
    66   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.07  -0.06  -0.03
    67   6    -0.00   0.00  -0.01    -0.00   0.00  -0.01    -0.12  -0.06   0.02
    68   6    -0.00   0.00  -0.01    -0.00   0.00  -0.01    -0.06  -0.12  -0.01
    69   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.06   0.08   0.03
    70   6    -0.00   0.00  -0.01    -0.00   0.00  -0.01     0.11   0.02  -0.02
    71   6    -0.00   0.00  -0.00     0.00   0.00  -0.00     0.12   0.04  -0.02
    72   6    -0.00  -0.00   0.01     0.00   0.00  -0.02     0.06   0.01   0.01
    73   6    -0.00  -0.01   0.03     0.01   0.02  -0.06     0.05   0.02   0.01
    74   6    -0.00  -0.00   0.01     0.00   0.00  -0.02    -0.01  -0.04  -0.01
    75   6    -0.00  -0.01   0.03     0.00   0.02  -0.05    -0.06   0.04   0.01
    76   6    -0.00  -0.01   0.02     0.01   0.01  -0.05    -0.07   0.00  -0.00
    77   6    -0.00  -0.00   0.01     0.00   0.01  -0.02     0.02   0.04   0.01
    78   6    -0.00  -0.01   0.03     0.01   0.02  -0.06     0.03  -0.05  -0.01
    79   6    -0.00  -0.00   0.01     0.00   0.00  -0.02     0.04  -0.04  -0.01
    80   1     0.00   0.00   0.00     0.00  -0.00   0.00    -0.01  -0.05  -0.01
    81   1     0.00   0.00   0.01    -0.00  -0.00  -0.00     0.05  -0.01  -0.08
    82   1     0.00  -0.00  -0.01    -0.00  -0.00   0.00    -0.09  -0.02   0.05
    83   1    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.04   0.08  -0.02
    84   1    -0.00   0.00  -0.02    -0.00  -0.00  -0.01    -0.04  -0.03   0.05
    85   1     0.00   0.00  -0.01     0.00   0.00  -0.01    -0.06   0.05  -0.01
    86   1     0.00   0.00   0.00     0.00   0.00   0.00     0.07   0.04  -0.01
    87   1     0.00   0.00   0.01    -0.00   0.00  -0.00     0.01   0.06  -0.05
    88   1     0.00  -0.00   0.00    -0.00   0.00  -0.01     0.06  -0.02   0.01
    89   1     0.00  -0.00  -0.01     0.00  -0.00  -0.01    -0.04  -0.02   0.09
    90   1    -0.00   0.00   0.01    -0.00   0.00   0.00    -0.03   0.02  -0.02
    91   1    -0.01  -0.01  -0.01    -0.00  -0.00  -0.00    -0.09   0.02  -0.01
    92   1     0.00  -0.01  -0.01     0.00  -0.00  -0.01    -0.07   0.03   0.01
    93   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.04  -0.00   0.01
    94   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.02   0.03  -0.02
    95   1     0.00  -0.00  -0.00     0.00   0.00  -0.00     0.06   0.05  -0.01
    96   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.05   0.06   0.01
    97   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.03   0.01  -0.00
    98   1    -0.00   0.00  -0.00     0.00   0.00   0.00     0.01  -0.02  -0.04
    99   1    -0.00   0.00   0.00     0.00  -0.01  -0.01     0.04  -0.01   0.00
   100   1     0.00   0.00   0.00    -0.01  -0.01  -0.01     0.03  -0.01   0.01
   101   1     0.00   0.00  -0.00    -0.00   0.00   0.00     0.01  -0.03  -0.03
   102   1    -0.02  -0.07   0.26    -0.01  -0.03   0.13    -0.11   0.01  -0.00
   103   1    -0.03  -0.10   0.35    -0.01  -0.05   0.17    -0.02  -0.20  -0.05
   104   1    -0.02  -0.09   0.32    -0.01  -0.05   0.16    -0.01   0.09   0.04
   105   1    -0.01  -0.04   0.14    -0.01  -0.02   0.07     0.04  -0.20  -0.04
   106   1    -0.01  -0.04   0.14    -0.01  -0.02   0.07     0.14   0.15   0.05
   107   1    -0.03  -0.10   0.35    -0.02  -0.05   0.17    -0.06  -0.08  -0.03
   108   1    -0.04  -0.11   0.38    -0.02  -0.05   0.19     0.09   0.18   0.06
   109   1    -0.02  -0.08   0.29    -0.01  -0.04   0.14    -0.10   0.04   0.01
   110   1     0.01  -0.01   0.04     0.01  -0.01   0.04     0.06   0.09   0.01
   111   1     0.01  -0.01   0.05     0.01  -0.01   0.05    -0.16   0.11   0.05
   112   1     0.01  -0.01   0.05     0.01  -0.01   0.05     0.08  -0.03  -0.03
   113   1     0.01  -0.00   0.02     0.00  -0.00   0.02    -0.19   0.06   0.04
   114   1     0.00  -0.00   0.02     0.01  -0.01   0.02     0.06  -0.19  -0.04
   115   1     0.01  -0.01   0.05     0.01  -0.01   0.05    -0.03   0.08   0.03
   116   1     0.01  -0.01   0.05     0.01  -0.01   0.05     0.11  -0.16  -0.05
   117   1     0.01  -0.01   0.04     0.01  -0.01   0.04     0.08   0.06  -0.01
   118   1     0.01   0.04  -0.14    -0.03  -0.07   0.28     0.06  -0.00  -0.00
   119   1     0.02   0.05  -0.19    -0.03  -0.10   0.37     0.01   0.10   0.01
   120   1     0.01   0.05  -0.17    -0.03  -0.09   0.34     0.01  -0.04  -0.02
   121   1     0.01   0.02  -0.07    -0.01  -0.04   0.15    -0.02   0.10   0.02
   122   1     0.01   0.02  -0.07    -0.01  -0.04   0.14    -0.07  -0.07  -0.02
   123   1     0.02   0.05  -0.17    -0.03  -0.09   0.34     0.03   0.04   0.01
   124   1     0.02   0.05  -0.18    -0.04  -0.10   0.36    -0.04  -0.08  -0.03
   125   1     0.01   0.04  -0.14    -0.02  -0.07   0.27     0.04  -0.01  -0.01
   126  17    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
                    136                    137                    138
                      A                      A                      A
 Frequencies --    768.5882               776.2555               781.5288
 Red. masses --      4.2320                 5.7460                 6.0550
 Frc consts  --      1.4729                 2.0400                 2.1790
 IR Inten    --      0.3673                 2.8051                 4.7292
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.01  -0.08    -0.03  -0.03   0.00     0.01  -0.00   0.00
     2   6    -0.00  -0.01   0.02    -0.02  -0.03  -0.00    -0.03  -0.01   0.00
     3   6     0.01  -0.01  -0.20     0.01  -0.02   0.02    -0.02  -0.01  -0.00
     4   6     0.01   0.01   0.21     0.03  -0.01  -0.01    -0.01   0.01   0.00
     5   6    -0.00   0.00  -0.06     0.05  -0.00   0.00    -0.03   0.00  -0.00
     6   6    -0.00   0.01   0.08    -0.00   0.04  -0.00    -0.00  -0.02   0.00
     7   6     0.00  -0.01   0.12    -0.01   0.02  -0.01     0.01   0.00   0.00
     8   6    -0.01   0.00  -0.08     0.02   0.02   0.01     0.00   0.00  -0.00
     9   6    -0.00  -0.00   0.00     0.01  -0.00   0.00    -0.01  -0.01   0.00
    10   6     0.00  -0.00  -0.04     0.01   0.01  -0.00     0.03   0.01  -0.00
    11   6    -0.00  -0.01   0.02    -0.03   0.01   0.00     0.02   0.00  -0.00
    12   6     0.01  -0.00  -0.03    -0.05   0.01   0.00    -0.00  -0.00   0.00
    13   6     0.00   0.01  -0.02     0.02  -0.03  -0.00     0.00  -0.01  -0.00
    14   6     0.00   0.01   0.01     0.04   0.03  -0.00     0.01   0.00   0.00
    15   7     0.00   0.00   0.06     0.02  -0.02  -0.00    -0.02  -0.02   0.00
    16   6     0.00  -0.00  -0.24     0.00  -0.02   0.01    -0.02  -0.03  -0.00
    17   6    -0.01   0.00   0.24    -0.01   0.02  -0.01     0.04   0.05   0.00
    18   7     0.00  -0.02  -0.06     0.00   0.02   0.00     0.05   0.08  -0.00
    19   6     0.00   0.02   0.07    -0.00  -0.04  -0.00     0.01  -0.13   0.00
    20   6    -0.00   0.00  -0.09    -0.00  -0.01   0.01     0.03  -0.03   0.01
    21   6    -0.01  -0.00   0.10    -0.01   0.00  -0.01    -0.01   0.02  -0.00
    22   6    -0.01  -0.01  -0.05    -0.03   0.03  -0.00     0.02   0.04  -0.01
    23   6    -0.01   0.01   0.02    -0.05  -0.03   0.01     0.02   0.02   0.00
    24   6     0.01   0.02   0.03    -0.06   0.01  -0.01    -0.01   0.01   0.00
    25   6    -0.00  -0.01  -0.01    -0.01   0.01   0.01    -0.10   0.03   0.00
    26   6    -0.00  -0.01  -0.01     0.04   0.05  -0.04     0.01   0.01  -0.01
    27   6     0.00   0.01   0.01     0.03   0.04  -0.04     0.00   0.01  -0.01
    28   6    -0.00  -0.02  -0.03     0.04  -0.00   0.01     0.01  -0.01  -0.00
    29   6    -0.01   0.01   0.02     0.01  -0.06   0.03    -0.00  -0.01   0.01
    30   6    -0.01  -0.01  -0.01     0.01  -0.07   0.05    -0.00  -0.01   0.01
    31   6     0.00  -0.00  -0.00     0.06  -0.02   0.04    -0.03   0.02  -0.03
    32   6    -0.00   0.00   0.01     0.05  -0.02   0.04    -0.03   0.03  -0.03
    33   6     0.01  -0.01  -0.01     0.03   0.02  -0.01    -0.02  -0.02  -0.00
    34   6     0.00   0.01   0.01    -0.02   0.05  -0.03     0.02  -0.02   0.03
    35   6     0.01   0.01  -0.01    -0.02   0.06  -0.05     0.02  -0.03   0.03
    36   6     0.01   0.00  -0.00     0.00  -0.01   0.00    -0.02  -0.13   0.09
    37   6     0.01   0.00  -0.01     0.00  -0.01   0.01    -0.03  -0.12   0.09
    38   6     0.00   0.01   0.01     0.00  -0.01  -0.01     0.09  -0.03  -0.00
    39   6    -0.00  -0.00  -0.00     0.01   0.01  -0.00     0.04   0.11  -0.09
    40   6    -0.00  -0.00   0.00     0.01   0.01  -0.01     0.06   0.11  -0.10
    41   7    -0.00  -0.01   0.00    -0.02  -0.02   0.00     0.00   0.00   0.00
    42   7     0.00  -0.01   0.01    -0.03   0.01  -0.00    -0.00  -0.00   0.00
    43   7    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.01   0.00   0.00
    44   6     0.01   0.00  -0.01    -0.10   0.01  -0.01    -0.01   0.00  -0.00
    45   6    -0.00   0.00   0.00    -0.04  -0.05  -0.02    -0.01  -0.01  -0.00
    46   6     0.00  -0.01   0.00    -0.01   0.07   0.02    -0.00   0.01   0.00
    47   6     0.01  -0.00  -0.01    -0.10   0.04   0.01    -0.01   0.00   0.00
    48   6    -0.01  -0.01  -0.00    -0.06  -0.08  -0.01     0.02   0.03   0.00
    49   6     0.01  -0.01  -0.00     0.02  -0.07  -0.01    -0.00   0.03   0.01
    50   6    -0.00   0.01   0.00    -0.06   0.03   0.02     0.03  -0.00  -0.01
    51   6    -0.01  -0.01  -0.00    -0.08  -0.06   0.01     0.03   0.02  -0.00
    52   6    -0.01  -0.00   0.00    -0.02   0.00  -0.00    -0.12   0.02  -0.01
    53   6     0.00  -0.00  -0.00    -0.01  -0.01  -0.00    -0.07  -0.06  -0.02
    54   6     0.00   0.01  -0.00    -0.00   0.01   0.00    -0.03   0.09   0.02
    55   6    -0.01   0.00   0.00    -0.01   0.01   0.00    -0.11   0.05   0.01
    56   6    -0.00  -0.00  -0.00     0.09   0.06   0.02     0.01   0.01   0.00
    57   6    -0.01  -0.01   0.00     0.14   0.07   0.02     0.02   0.01   0.00
    58   6     0.00   0.01   0.00    -0.01  -0.13  -0.04    -0.00  -0.02  -0.00
    59   6     0.01  -0.00   0.00    -0.12   0.05   0.00    -0.01   0.00   0.00
    60   6     0.01   0.00   0.00    -0.13   0.02  -0.01    -0.01   0.00  -0.00
    61   6    -0.00  -0.00  -0.00     0.06   0.11   0.04     0.01   0.02   0.00
    62   6    -0.00   0.00   0.00     0.09  -0.13  -0.02     0.01  -0.02  -0.00
    63   6    -0.01   0.01   0.00     0.06  -0.10  -0.02     0.00  -0.01  -0.00
    64   6     0.01   0.02   0.00     0.00   0.11   0.02     0.01  -0.03  -0.01
    65   6     0.00   0.02   0.00     0.01   0.15   0.02    -0.00  -0.06  -0.01
    66   6     0.01  -0.01  -0.00     0.11  -0.07  -0.04    -0.04   0.03   0.02
    67   6    -0.02  -0.01   0.00    -0.10  -0.08   0.01     0.03   0.03  -0.00
    68   6    -0.01  -0.02  -0.00    -0.08  -0.10  -0.00     0.03   0.03   0.00
    69   6    -0.01   0.02   0.00    -0.07   0.11   0.04     0.02  -0.04  -0.01
    70   6     0.02   0.00  -0.00     0.15   0.01  -0.02    -0.06  -0.00   0.01
    71   6     0.02   0.00  -0.00     0.11  -0.00  -0.02    -0.03   0.01   0.01
    72   6     0.01   0.00   0.00     0.02   0.01   0.00     0.09   0.07   0.02
    73   6     0.01   0.00   0.00     0.02   0.01   0.00     0.18   0.08   0.03
    74   6    -0.00  -0.01  -0.00    -0.00  -0.02  -0.01    -0.01  -0.17  -0.05
    75   6    -0.01   0.00  -0.00    -0.02   0.01   0.00    -0.14   0.05   0.00
    76   6    -0.01  -0.00  -0.00    -0.02   0.00  -0.00    -0.14   0.04  -0.00
    77   6     0.00   0.01   0.00     0.01   0.02   0.01     0.09   0.15   0.05
    78   6     0.00  -0.01  -0.00     0.01  -0.02  -0.00     0.11  -0.17  -0.03
    79   6     0.01  -0.01   0.00     0.01  -0.01  -0.00     0.03  -0.11  -0.02
    80   1    -0.00  -0.00   0.08     0.01  -0.04  -0.00    -0.00  -0.02   0.00
    81   1     0.02   0.01   0.48    -0.01   0.00  -0.01    -0.04  -0.05   0.01
    82   1    -0.01  -0.01  -0.29     0.04  -0.04   0.01    -0.02   0.02  -0.00
    83   1     0.01   0.02   0.05     0.01   0.04  -0.00    -0.00  -0.02   0.00
    84   1     0.00  -0.01  -0.27    -0.02  -0.01   0.00     0.04  -0.01  -0.01
    85   1    -0.01   0.01   0.04     0.03  -0.03   0.00    -0.00  -0.01   0.00
    86   1     0.01   0.01   0.08     0.02   0.06  -0.00     0.00   0.01   0.00
    87   1     0.01   0.02   0.28    -0.02  -0.04  -0.02     0.03  -0.13   0.00
    88   1     0.01  -0.01  -0.04    -0.01   0.01   0.00    -0.00  -0.00  -0.00
    89   1    -0.01  -0.01  -0.44    -0.05   0.03   0.03     0.02   0.04   0.01
    90   1    -0.01  -0.04  -0.06     0.12   0.02   0.01     0.02   0.00  -0.01
    91   1     0.00   0.01   0.01    -0.01   0.04  -0.02    -0.01   0.01  -0.00
    92   1    -0.01   0.01   0.02    -0.04  -0.03   0.01    -0.02  -0.01   0.00
    93   1    -0.01  -0.04  -0.06     0.10  -0.04   0.05     0.02  -0.02  -0.01
    94   1     0.02  -0.02  -0.03     0.11   0.04  -0.01    -0.05  -0.02  -0.02
    95   1     0.01  -0.00   0.00     0.01  -0.04   0.02     0.01   0.04  -0.01
    96   1     0.00   0.01   0.01    -0.04   0.01  -0.01     0.04   0.01   0.01
    97   1     0.03  -0.00  -0.02     0.06   0.08  -0.05    -0.01  -0.06  -0.00
    98   1     0.02   0.02   0.02     0.01  -0.01  -0.01     0.13  -0.12   0.04
    99   1     0.02  -0.00  -0.01    -0.00  -0.00   0.01    -0.14  -0.03   0.04
   100   1     0.01   0.00   0.00    -0.00   0.00  -0.00    -0.10   0.10  -0.04
   101   1    -0.00   0.03   0.03     0.01  -0.01  -0.02     0.18   0.02  -0.05
   102   1     0.00   0.01  -0.01     0.04  -0.04   0.03     0.00  -0.01   0.00
   103   1    -0.00  -0.01  -0.02     0.05   0.21   0.10     0.01   0.03   0.01
   104   1     0.00   0.02  -0.01    -0.03  -0.14  -0.02    -0.01  -0.02  -0.00
   105   1     0.00  -0.02  -0.01    -0.03   0.20   0.05    -0.00   0.02   0.00
   106   1     0.01   0.01   0.00    -0.12  -0.16  -0.06    -0.01  -0.02  -0.00
   107   1    -0.00   0.00  -0.02     0.04   0.13   0.02     0.00   0.02   0.01
   108   1     0.01   0.02  -0.01    -0.06  -0.20  -0.10    -0.01  -0.03  -0.01
   109   1    -0.01   0.01  -0.01     0.06   0.01  -0.02     0.00   0.01  -0.00
   110   1     0.01   0.02  -0.00     0.05   0.03   0.02    -0.02   0.01  -0.01
   111   1    -0.03   0.02   0.00    -0.15   0.14   0.10     0.05  -0.05  -0.04
   112   1     0.01  -0.00  -0.01     0.10  -0.09  -0.02    -0.04   0.04   0.00
   113   1    -0.03   0.01   0.01    -0.18   0.07   0.05     0.06  -0.03  -0.02
   114   1     0.01  -0.03  -0.01     0.07  -0.18  -0.05    -0.03   0.06   0.02
   115   1    -0.01   0.02   0.00    -0.10   0.10   0.01     0.04  -0.03  -0.00
   116   1     0.02  -0.03  -0.01     0.14  -0.15  -0.10    -0.05   0.05   0.04
   117   1     0.01   0.01  -0.00     0.01   0.05  -0.03     0.00  -0.02   0.01
   118   1     0.00  -0.00   0.00     0.01  -0.00   0.00     0.01  -0.06   0.03
   119   1     0.00   0.01   0.01     0.01   0.03   0.01     0.08   0.24   0.13
   120   1    -0.00  -0.01   0.00    -0.00  -0.02  -0.00    -0.07  -0.18  -0.02
   121   1    -0.00   0.02   0.00    -0.00   0.03   0.01    -0.02   0.23   0.06
   122   1    -0.01  -0.01  -0.01    -0.02  -0.02  -0.01    -0.14  -0.18  -0.06
   123   1     0.01   0.00  -0.00     0.01   0.02   0.00     0.04   0.18   0.02
   124   1    -0.01  -0.01  -0.01    -0.01  -0.03  -0.01    -0.06  -0.25  -0.13
   125   1     0.01  -0.01  -0.00     0.01   0.00  -0.00     0.04   0.04  -0.03
   126  17    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
                    139                    140                    141
                      A                      A                      A
 Frequencies --    788.5352               788.7005               788.7839
 Red. masses --      2.8095                 2.8105                 2.8085
 Frc consts  --      1.0292                 1.0301                 1.0296
 IR Inten    --      2.8195                 4.4552                 2.8217
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
     2   6     0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
     3   6     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
     4   6     0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
     5   6     0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
     6   6     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     7   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
     8   6     0.00  -0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
     9   6    -0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    10   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
    11   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    12   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    13   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    14   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    15   7    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    16   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00   0.00
    17   6    -0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    18   7    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    19   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    20   6     0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    21   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
    22   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    23   6    -0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
    24   6     0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    25   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
    26   6    -0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    27   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.01     0.00  -0.00  -0.00
    28   6    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
    29   6     0.00   0.00  -0.00     0.00   0.00   0.01     0.00   0.00   0.00
    30   6     0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    31   6     0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    32   6     0.00  -0.00  -0.01    -0.00   0.00   0.00    -0.00   0.00   0.00
    33   6    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
    34   6    -0.00   0.00   0.01     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    35   6    -0.00   0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    36   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
    37   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.01
    38   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
    39   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.01
    40   6     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    41   7    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
    42   7    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
    43   7    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    44   6     0.00   0.00  -0.01     0.01   0.04  -0.12     0.00   0.00  -0.01
    45   6    -0.00  -0.00   0.01    -0.02  -0.06   0.22    -0.00  -0.01   0.02
    46   6     0.00   0.00  -0.01     0.02   0.06  -0.22     0.00   0.01  -0.02
    47   6    -0.00  -0.00   0.01    -0.01  -0.04   0.12    -0.00  -0.00   0.01
    48   6     0.03  -0.02   0.12    -0.00   0.00  -0.01    -0.00   0.00  -0.00
    49   6    -0.04   0.04  -0.22     0.00  -0.00   0.01     0.00  -0.00   0.01
    50   6     0.04  -0.04   0.22    -0.00   0.00  -0.01    -0.00   0.00  -0.01
    51   6    -0.03   0.02  -0.12     0.00  -0.00   0.01     0.00  -0.00   0.00
    52   6    -0.00  -0.00   0.00     0.00   0.00  -0.01    -0.01  -0.03   0.12
    53   6     0.00   0.00  -0.01    -0.00  -0.01   0.02     0.02   0.05  -0.22
    54   6    -0.00  -0.00   0.01     0.00   0.01  -0.02    -0.02  -0.05   0.22
    55   6     0.00   0.00  -0.00    -0.00  -0.00   0.01     0.01   0.03  -0.12
    56   6    -0.00  -0.00   0.00    -0.01  -0.01   0.05    -0.00  -0.00   0.00
    57   6    -0.00   0.00  -0.00     0.00   0.01  -0.04     0.00   0.00  -0.00
    58   6    -0.00  -0.00   0.00    -0.01  -0.03   0.10    -0.00  -0.00   0.01
    59   6     0.00  -0.00  -0.00     0.00  -0.00  -0.01     0.00  -0.00  -0.00
    60   6     0.00  -0.00   0.00     0.00   0.00   0.01     0.00   0.00   0.00
    61   6     0.00   0.00  -0.00     0.01   0.03  -0.10     0.00   0.00  -0.01
    62   6    -0.00  -0.00   0.00    -0.01  -0.01   0.04    -0.00  -0.00   0.00
    63   6     0.00   0.00  -0.00    -0.00   0.01  -0.05    -0.00   0.00  -0.00
    64   6    -0.01   0.01  -0.05     0.00  -0.00   0.00     0.00  -0.00   0.00
    65   6     0.01  -0.01   0.04    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    66   6    -0.02   0.02  -0.10     0.00  -0.00   0.00     0.00  -0.00   0.00
    67   6    -0.00  -0.00   0.01     0.00  -0.00  -0.00     0.00   0.00  -0.00
    68   6    -0.00  -0.00  -0.01    -0.00   0.00   0.00     0.00   0.00   0.00
    69   6     0.02  -0.02   0.10    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    70   6    -0.01   0.01  -0.04     0.00  -0.00   0.00     0.00  -0.00   0.00
    71   6     0.01  -0.00   0.05    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    72   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.01   0.01  -0.05
    73   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.01   0.04
    74   6     0.00   0.00  -0.00    -0.00  -0.00   0.01     0.01   0.03  -0.10
    75   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.01
    76   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.01
    77   6    -0.00  -0.00   0.00     0.00   0.00  -0.01    -0.01  -0.03   0.10
    78   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.01   0.01  -0.04
    79   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.01   0.05
    80   1    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    81   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    82   1     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
    83   1    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    84   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    85   1     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
    86   1    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
    87   1     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    88   1     0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
    89   1    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
    90   1    -0.00   0.00   0.00     0.01   0.01   0.02     0.00   0.00   0.00
    91   1     0.00   0.00   0.00     0.01   0.03   0.03     0.00   0.00   0.00
    92   1     0.00  -0.00  -0.00    -0.01  -0.03  -0.03    -0.00  -0.00  -0.00
    93   1    -0.00   0.00  -0.00    -0.00  -0.02  -0.02    -0.00  -0.00  -0.00
    94   1    -0.01   0.01   0.02     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    95   1    -0.02   0.02   0.03     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    96   1     0.02  -0.02  -0.03    -0.00   0.00   0.00    -0.00   0.00   0.00
    97   1     0.01  -0.01  -0.02    -0.00   0.00   0.00    -0.00   0.00   0.00
    98   1     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.02   0.02
    99   1     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.01   0.03   0.03
   100   1    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.01  -0.03  -0.03
   101   1    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.01  -0.01  -0.02
   102   1    -0.00  -0.00   0.01    -0.02  -0.05   0.18    -0.00  -0.00   0.02
   103   1     0.00   0.00  -0.01     0.02   0.05  -0.19     0.00   0.01  -0.02
   104   1     0.00   0.00  -0.01     0.02   0.09  -0.31     0.00   0.01  -0.03
   105   1     0.00   0.01  -0.02     0.04   0.14  -0.46     0.00   0.01  -0.05
   106   1    -0.00  -0.01   0.02    -0.04  -0.14   0.46    -0.00  -0.01   0.05
   107   1    -0.00  -0.00   0.01    -0.03  -0.08   0.31    -0.00  -0.01   0.03
   108   1    -0.00  -0.00   0.01    -0.02  -0.06   0.20    -0.00  -0.01   0.02
   109   1     0.00   0.00  -0.01     0.01   0.05  -0.17     0.00   0.00  -0.02
   110   1    -0.03   0.04  -0.18     0.00  -0.00   0.01     0.00  -0.00   0.01
   111   1     0.04  -0.04   0.19    -0.00   0.00  -0.01    -0.00   0.00  -0.01
   112   1     0.07  -0.05   0.31    -0.00   0.00  -0.01    -0.00   0.00  -0.01
   113   1     0.10  -0.09   0.46    -0.00   0.00  -0.02    -0.00   0.00  -0.02
   114   1    -0.10   0.09  -0.46     0.00  -0.00   0.02     0.00  -0.00   0.02
   115   1    -0.06   0.06  -0.31     0.00  -0.00   0.01     0.00  -0.00   0.01
   116   1    -0.04   0.04  -0.19     0.00  -0.00   0.01     0.00  -0.00   0.01
   117   1     0.04  -0.03   0.19    -0.00   0.00  -0.01    -0.00   0.00  -0.01
   118   1     0.00   0.00  -0.00    -0.00  -0.00   0.02     0.02   0.04  -0.18
   119   1    -0.00  -0.00   0.01     0.00   0.00  -0.02    -0.02  -0.06   0.20
   120   1    -0.00  -0.00   0.01     0.00   0.01  -0.03    -0.02  -0.08   0.31
   121   1    -0.00  -0.00   0.01     0.00   0.01  -0.05    -0.04  -0.13   0.46
   122   1     0.00   0.00  -0.01    -0.00  -0.01   0.05     0.04   0.13  -0.46
   123   1     0.00   0.00  -0.01    -0.00  -0.01   0.03     0.03   0.08  -0.31
   124   1     0.00   0.00  -0.01    -0.00  -0.00   0.02     0.02   0.05  -0.19
   125   1    -0.00  -0.00   0.01     0.00   0.00  -0.02    -0.01  -0.05   0.18
   126  17     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
                    142                    143                    144
                      A                      A                      A
 Frequencies --    794.6974               801.6484               818.1257
 Red. masses --      6.6346                 4.8667                 5.1093
 Frc consts  --      2.4687                 1.8427                 2.0149
 IR Inten    --      1.0504                 1.5481                32.0773
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.05  -0.00     0.00  -0.00   0.06    -0.03  -0.04   0.00
     2   6    -0.05   0.10  -0.00     0.01  -0.00   0.00    -0.03  -0.07   0.00
     3   6    -0.06   0.12   0.00     0.00   0.00   0.11    -0.00  -0.06   0.00
     4   6    -0.05  -0.06  -0.00    -0.00  -0.00  -0.15     0.06   0.02  -0.00
     5   6     0.12  -0.08   0.00    -0.00   0.00  -0.01    -0.00   0.00  -0.00
     6   6     0.08  -0.07   0.00    -0.00  -0.00  -0.07    -0.04   0.03  -0.00
     7   6    -0.02   0.14  -0.00     0.00  -0.00  -0.09    -0.06  -0.02  -0.00
     8   6     0.07  -0.02   0.00    -0.00   0.00   0.12     0.05   0.01   0.00
     9   6     0.06  -0.01  -0.01    -0.00  -0.01  -0.29     0.13   0.00  -0.01
    10   6    -0.03  -0.02   0.01    -0.00   0.01   0.31     0.08   0.02   0.01
    11   6    -0.03   0.11  -0.00     0.00   0.00  -0.02    -0.11  -0.01   0.00
    12   6    -0.06   0.03  -0.01     0.00  -0.00  -0.02    -0.03   0.02  -0.01
    13   6    -0.05  -0.09   0.01    -0.00   0.00   0.04    -0.03   0.03  -0.00
    14   6    -0.07  -0.12   0.00    -0.00   0.00   0.01     0.00   0.04   0.00
    15   7     0.03   0.01   0.00    -0.00   0.01   0.11     0.21  -0.13   0.01
    16   6    -0.01  -0.03  -0.00    -0.00  -0.00  -0.17     0.08  -0.10  -0.01
    17   6     0.02   0.04   0.00     0.00   0.00   0.18    -0.07   0.13   0.01
    18   7    -0.00   0.10  -0.01    -0.00  -0.01  -0.14     0.05   0.11  -0.01
    19   6    -0.03  -0.09   0.00     0.00   0.01   0.02    -0.07  -0.16   0.01
    20   6    -0.02  -0.03   0.00     0.00   0.00  -0.06    -0.09  -0.07   0.01
    21   6     0.02   0.01  -0.00    -0.00   0.00   0.04    -0.05  -0.00   0.01
    22   6     0.02   0.04  -0.00     0.00  -0.01  -0.01    -0.21   0.21  -0.02
    23   6    -0.05  -0.05  -0.00     0.00  -0.01  -0.01     0.01   0.01   0.00
    24   6     0.07  -0.02  -0.00    -0.00   0.00   0.00     0.01  -0.00  -0.00
    25   6    -0.02   0.00  -0.00    -0.00  -0.00   0.00     0.01  -0.00   0.00
    26   6    -0.02  -0.12   0.09     0.00   0.00  -0.00    -0.00  -0.03   0.03
    27   6    -0.00  -0.13   0.09     0.00   0.00   0.00     0.01  -0.04   0.02
    28   6    -0.10   0.03   0.01     0.00  -0.00  -0.00    -0.02   0.01   0.01
    29   6     0.06   0.11  -0.09    -0.00  -0.00   0.00     0.02   0.02  -0.03
    30   6     0.04   0.11  -0.09    -0.00  -0.00   0.00     0.01   0.01  -0.03
    31   6     0.07  -0.08   0.08     0.00   0.00  -0.00    -0.02   0.04  -0.03
    32   6     0.06  -0.10   0.08     0.01   0.00  -0.01    -0.02   0.05  -0.03
    33   6     0.06   0.07   0.00    -0.01   0.01   0.01    -0.02  -0.03  -0.01
    34   6    -0.10   0.06  -0.09    -0.00  -0.00  -0.01     0.05  -0.01   0.04
    35   6    -0.08   0.07  -0.08    -0.00  -0.00  -0.00     0.03  -0.02   0.03
    36   6    -0.01  -0.04   0.02     0.00  -0.00  -0.00     0.02   0.04  -0.04
    37   6    -0.02  -0.03   0.02     0.00  -0.00  -0.00     0.04   0.04  -0.03
    38   6     0.03  -0.00   0.01     0.00   0.00   0.00    -0.03  -0.01  -0.02
    39   6     0.00   0.03  -0.03    -0.00   0.00  -0.00     0.02  -0.03   0.05
    40   6     0.01   0.03  -0.02    -0.00  -0.00  -0.00     0.01  -0.01   0.05
    41   7     0.02   0.02  -0.00    -0.00   0.00  -0.00    -0.01  -0.01   0.00
    42   7    -0.02   0.01  -0.00     0.00  -0.00   0.00    -0.01   0.01  -0.00
    43   7     0.01  -0.00  -0.00     0.00   0.00  -0.00    -0.01  -0.01   0.00
    44   6     0.05  -0.01   0.01    -0.00   0.00  -0.00     0.00  -0.00   0.00
    45   6     0.05   0.02   0.01    -0.00  -0.00   0.00     0.01   0.00   0.00
    46   6     0.03  -0.04  -0.01    -0.00   0.00   0.00     0.00  -0.00  -0.00
    47   6     0.05  -0.02  -0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    48   6    -0.03  -0.04  -0.00     0.00  -0.00   0.00     0.00   0.01  -0.00
    49   6    -0.00  -0.05  -0.01     0.00   0.00  -0.00     0.00   0.01   0.00
    50   6    -0.05  -0.00   0.01    -0.00  -0.00  -0.00     0.01   0.00  -0.00
    51   6    -0.04  -0.03   0.01    -0.00  -0.00   0.00     0.01   0.00  -0.00
    52   6    -0.01   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
    53   6    -0.01  -0.01  -0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.01
    54   6    -0.01   0.01   0.00    -0.00   0.00  -0.00     0.01  -0.01  -0.01
    55   6    -0.01   0.00   0.00    -0.00   0.00   0.00     0.01  -0.00  -0.00
    56   6    -0.01  -0.04  -0.01     0.00   0.00   0.00     0.00  -0.00   0.00
    57   6    -0.09  -0.05  -0.02     0.00   0.00   0.00    -0.01  -0.01  -0.00
    58   6    -0.00   0.09   0.03     0.00  -0.00  -0.00    -0.00   0.01   0.00
    59   6     0.06  -0.01   0.00    -0.00   0.00   0.00     0.01  -0.00  -0.00
    60   6     0.05  -0.03  -0.00    -0.00   0.00   0.00     0.00  -0.01  -0.00
    61   6    -0.05  -0.08  -0.03     0.00   0.00   0.00    -0.01  -0.01  -0.00
    62   6    -0.06   0.09   0.01     0.00  -0.00  -0.00    -0.01   0.01   0.00
    63   6     0.02   0.04   0.01    -0.00  -0.00  -0.00     0.01   0.00   0.00
    64   6    -0.03   0.03   0.01    -0.00  -0.00   0.00     0.01   0.00  -0.00
    65   6     0.01   0.10   0.01     0.00   0.00   0.00    -0.00  -0.02  -0.00
    66   6     0.07  -0.04  -0.02     0.00  -0.00  -0.00    -0.02   0.01   0.01
    67   6    -0.03  -0.04  -0.00     0.00  -0.00  -0.00     0.00   0.01   0.00
    68   6    -0.04  -0.03   0.00    -0.00  -0.00  -0.00     0.01   0.01   0.00
    69   6    -0.04   0.07   0.02     0.00  -0.00   0.00     0.01  -0.01  -0.00
    70   6     0.09   0.00  -0.01     0.00  -0.00  -0.00    -0.02  -0.00   0.00
    71   6     0.03  -0.03  -0.01     0.00   0.00   0.00    -0.00   0.01   0.00
    72   6     0.00   0.01   0.00    -0.00   0.00   0.00     0.01  -0.01  -0.00
    73   6     0.03   0.01   0.00     0.00   0.00   0.00    -0.02  -0.01  -0.00
    74   6    -0.00  -0.03  -0.01    -0.00  -0.00  -0.00     0.00   0.02   0.01
    75   6    -0.02   0.00  -0.00    -0.00  -0.00  -0.00     0.01   0.01   0.00
    76   6    -0.02   0.01  -0.00    -0.00   0.00  -0.00     0.01  -0.00   0.01
    77   6     0.01   0.02   0.01     0.00   0.00   0.00    -0.00  -0.00  -0.00
    78   6     0.02  -0.03  -0.00     0.00  -0.00  -0.00    -0.00   0.01  -0.00
    79   6    -0.00  -0.01  -0.00    -0.00  -0.00   0.00    -0.00   0.01  -0.00
    80   1     0.03   0.05   0.00    -0.00   0.01   0.11     0.20  -0.22   0.03
    81   1    -0.07   0.03   0.00    -0.00  -0.00  -0.29    -0.02  -0.04  -0.00
    82   1     0.16   0.05   0.00    -0.00   0.01   0.44    -0.02  -0.10   0.01
    83   1    -0.03  -0.10   0.01     0.01  -0.00   0.23    -0.02   0.04  -0.00
    84   1     0.01   0.07   0.01    -0.00   0.00   0.24    -0.16   0.03  -0.00
    85   1     0.05  -0.07  -0.00    -0.00   0.00  -0.17    -0.05   0.02   0.01
    86   1    -0.14  -0.07  -0.01    -0.00  -0.00  -0.26    -0.00   0.05  -0.01
    87   1    -0.02  -0.10   0.00     0.01   0.01   0.25    -0.20  -0.20  -0.02
    88   1    -0.08   0.03   0.00     0.01  -0.00   0.10    -0.17   0.02  -0.05
    89   1     0.01   0.04   0.00     0.01  -0.01  -0.27    -0.46   0.17   0.02
    90   1    -0.11  -0.04   0.07    -0.00  -0.01  -0.02    -0.01  -0.02   0.03
    91   1     0.17  -0.10   0.05    -0.00  -0.00  -0.01     0.06  -0.03   0.01
    92   1     0.19   0.01  -0.04    -0.01  -0.00  -0.00     0.07   0.04   0.04
    93   1    -0.08   0.12  -0.02    -0.01  -0.01  -0.01    -0.00   0.07   0.06
    94   1     0.10   0.03   0.07    -0.03   0.03   0.05    -0.02  -0.00  -0.05
    95   1    -0.09  -0.15   0.05    -0.00   0.02   0.02     0.06   0.07  -0.03
    96   1    -0.15  -0.08  -0.04    -0.01   0.00   0.01     0.08   0.03  -0.01
    97   1     0.01   0.12  -0.03    -0.03   0.02   0.04     0.03  -0.06  -0.03
    98   1     0.02  -0.02   0.04     0.00   0.01   0.01    -0.00   0.03  -0.04
    99   1    -0.06   0.01   0.02     0.00   0.00   0.00     0.09  -0.01  -0.01
   100   1    -0.04   0.03  -0.01     0.00   0.01   0.01     0.04  -0.14  -0.10
   101   1     0.04   0.02   0.00    -0.00   0.01   0.01    -0.08  -0.14  -0.17
   102   1     0.04   0.04  -0.01    -0.00  -0.00   0.00     0.01   0.01  -0.01
   103   1    -0.05  -0.10  -0.07     0.00   0.00   0.00    -0.01  -0.01  -0.02
   104   1     0.05   0.09   0.01    -0.00  -0.00  -0.00     0.00   0.01  -0.00
   105   1     0.00  -0.09  -0.02    -0.00   0.00  -0.00     0.00  -0.01   0.00
   106   1     0.05   0.08   0.02    -0.00  -0.00   0.00     0.00   0.01  -0.00
   107   1    -0.00  -0.11  -0.01    -0.00   0.00   0.00     0.00  -0.02  -0.00
   108   1     0.00   0.11   0.07     0.00  -0.00  -0.00    -0.00   0.01   0.01
   109   1     0.02  -0.06   0.01    -0.00   0.00  -0.00     0.01  -0.02   0.00
   110   1     0.01  -0.05   0.01    -0.00  -0.01   0.00     0.00   0.03  -0.00
   111   1    -0.06   0.09   0.06    -0.00   0.00   0.00     0.01  -0.02  -0.02
   112   1     0.05  -0.08  -0.01     0.00  -0.01  -0.00    -0.01   0.02   0.00
   113   1    -0.08   0.04   0.01    -0.00   0.00  -0.00     0.01  -0.01   0.00
   114   1     0.04  -0.08  -0.01     0.00  -0.00   0.00    -0.01   0.01  -0.00
   115   1    -0.08   0.05   0.01     0.00   0.00  -0.00     0.02  -0.01  -0.00
   116   1     0.09  -0.06  -0.06     0.00  -0.00  -0.00    -0.02   0.01   0.02
   117   1    -0.05   0.01  -0.01     0.00   0.00  -0.00     0.02  -0.00   0.01
   118   1    -0.02  -0.01   0.00    -0.00  -0.00   0.00     0.03   0.01   0.00
   119   1     0.02   0.03   0.02     0.00   0.00   0.00    -0.01  -0.01  -0.02
   120   1    -0.02  -0.03  -0.00    -0.00  -0.00  -0.00     0.02   0.02  -0.00
   121   1     0.00   0.03   0.00     0.00   0.00  -0.00    -0.00  -0.01   0.00
   122   1    -0.02  -0.02  -0.00    -0.00  -0.00   0.00     0.01   0.01  -0.01
   123   1     0.00   0.03   0.00     0.00   0.00  -0.00    -0.00  -0.01   0.01
   124   1    -0.00  -0.03  -0.02    -0.00  -0.00  -0.00    -0.00   0.01   0.03
   125   1    -0.00   0.01  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.01
   126  17     0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
                    145                    146                    147
                      A                      A                      A
 Frequencies --    848.6242               849.8689               850.3331
 Red. masses --      1.5449                 1.4354                 1.3661
 Frc consts  --      0.6555                 0.6108                 0.5820
 IR Inten    --      4.2156                12.7703                48.5826
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.02     0.00   0.00   0.01     0.00   0.00   0.01
     2   6     0.00   0.00   0.04    -0.00  -0.00  -0.02     0.00  -0.00  -0.02
     3   6     0.01  -0.00  -0.03    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
     4   6     0.00  -0.00  -0.02    -0.00   0.00   0.03    -0.01   0.00   0.02
     5   6    -0.00   0.00   0.02     0.00   0.00  -0.03    -0.00   0.00  -0.02
     6   6    -0.01   0.01   0.04     0.01  -0.01  -0.03     0.01  -0.00  -0.02
     7   6     0.01   0.00   0.03     0.01  -0.00   0.00     0.00  -0.01  -0.01
     8   6     0.01   0.00   0.02     0.00   0.00   0.01    -0.00  -0.00   0.01
     9   6    -0.00  -0.00  -0.03    -0.00  -0.00   0.00     0.00  -0.00   0.00
    10   6    -0.00  -0.00   0.02     0.00  -0.00  -0.01    -0.00  -0.00  -0.02
    11   6     0.00   0.00  -0.04     0.01  -0.01  -0.01     0.00  -0.01   0.00
    12   6    -0.01   0.00   0.02     0.00  -0.00   0.01     0.00  -0.00  -0.00
    13   6    -0.00  -0.01  -0.03    -0.00  -0.00  -0.02    -0.00   0.01  -0.00
    14   6    -0.00  -0.00  -0.03    -0.00   0.00  -0.02    -0.00   0.00  -0.01
    15   7    -0.01   0.00   0.01    -0.00   0.00   0.00     0.00   0.00  -0.00
    16   6    -0.00   0.00   0.01    -0.00  -0.00  -0.02     0.00   0.00   0.02
    17   6    -0.00  -0.00   0.01     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    18   7    -0.01  -0.00  -0.01     0.00   0.00   0.00    -0.00  -0.00   0.00
    19   6     0.00   0.00  -0.01    -0.00   0.00   0.02     0.00   0.00  -0.02
    20   6     0.00  -0.00  -0.02     0.00   0.01   0.03    -0.00  -0.01  -0.02
    21   6     0.00   0.00   0.01     0.00  -0.00  -0.01     0.00   0.00   0.01
    22   6     0.00  -0.01  -0.01     0.01   0.00   0.01     0.00  -0.00  -0.01
    23   6     0.02  -0.02  -0.03    -0.02   0.02   0.03    -0.01   0.01   0.02
    24   6     0.01   0.03   0.04     0.01   0.02   0.02     0.00   0.00   0.01
    25   6     0.00   0.01   0.01    -0.01  -0.02  -0.02     0.01   0.01   0.02
    26   6    -0.01  -0.01  -0.01    -0.00   0.01   0.00     0.00   0.01   0.01
    27   6    -0.01  -0.01  -0.01    -0.00   0.01   0.01    -0.00   0.01   0.01
    28   6     0.01   0.03   0.05     0.01   0.02   0.03     0.00   0.00   0.01
    29   6    -0.00  -0.04  -0.06    -0.01  -0.04  -0.05    -0.01  -0.02  -0.02
    30   6    -0.00  -0.04  -0.06    -0.01  -0.04  -0.05    -0.00  -0.02  -0.02
    31   6    -0.02   0.01   0.03     0.02  -0.01  -0.03     0.01  -0.01  -0.02
    32   6    -0.02   0.02   0.03     0.02  -0.01  -0.02     0.01  -0.01  -0.01
    33   6     0.02  -0.02  -0.04    -0.02   0.02   0.04    -0.01   0.02   0.03
    34   6    -0.01   0.02   0.03     0.01  -0.02  -0.03     0.01  -0.02  -0.03
    35   6    -0.01   0.02   0.03     0.01  -0.02  -0.03     0.01  -0.02  -0.03
    36   6    -0.00  -0.01  -0.01     0.00   0.03   0.04    -0.01  -0.05  -0.06
    37   6    -0.00  -0.01  -0.01     0.01   0.03   0.04    -0.01  -0.05  -0.06
    38   6     0.00   0.01   0.02    -0.01  -0.02  -0.03     0.01   0.02   0.03
    39   6    -0.00  -0.01  -0.01     0.00  -0.00  -0.00     0.00   0.02   0.02
    40   6    -0.01  -0.01  -0.01     0.00  -0.00  -0.00     0.00   0.02   0.02
    41   7     0.02  -0.02   0.01    -0.02   0.02  -0.01    -0.01   0.01  -0.01
    42   7     0.01   0.03  -0.01     0.01   0.02  -0.01     0.00   0.00  -0.00
    43   7     0.00   0.01  -0.00    -0.01  -0.02   0.01     0.01   0.02  -0.01
    44   6    -0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    45   6     0.01   0.00   0.01     0.00  -0.00   0.01     0.00  -0.00   0.01
    46   6    -0.01   0.01  -0.01    -0.00   0.01  -0.01    -0.00   0.00  -0.01
    47   6    -0.00  -0.00   0.01    -0.00  -0.00   0.01    -0.00  -0.00   0.01
    48   6    -0.00   0.00  -0.01     0.00  -0.00   0.01     0.00  -0.00   0.01
    49   6    -0.00  -0.01   0.00     0.00   0.01  -0.00     0.00   0.01  -0.00
    50   6     0.01   0.00   0.00    -0.01  -0.00  -0.00    -0.01  -0.00  -0.00
    51   6    -0.00   0.00  -0.01     0.00  -0.00   0.01     0.00   0.00   0.00
    52   6    -0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
    53   6     0.00   0.00  -0.00    -0.01   0.00  -0.01     0.00  -0.00   0.01
    54   6    -0.00   0.00  -0.00     0.00  -0.01   0.01    -0.00   0.01  -0.02
    55   6    -0.00  -0.00   0.00     0.00   0.00  -0.01    -0.00  -0.00   0.02
    56   6    -0.02   0.00   0.02    -0.01   0.00   0.01    -0.00  -0.00   0.01
    57   6     0.01   0.00   0.01     0.00  -0.00   0.01     0.00  -0.00   0.00
    58   6    -0.00  -0.02  -0.01    -0.00  -0.01  -0.00    -0.00  -0.00  -0.00
    59   6     0.00  -0.00  -0.02     0.00  -0.00  -0.02    -0.00   0.00  -0.01
    60   6    -0.01  -0.01  -0.01    -0.00  -0.01   0.00    -0.00  -0.00   0.00
    61   6    -0.01  -0.02  -0.01    -0.00  -0.01  -0.00    -0.00  -0.00  -0.00
    62   6    -0.00   0.01   0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
    63   6     0.02  -0.00   0.00     0.01  -0.00  -0.00     0.00   0.00  -0.00
    64   6     0.01   0.01  -0.01    -0.01  -0.01   0.01    -0.01  -0.01   0.00
    65   6    -0.00  -0.01  -0.01     0.00   0.01   0.00     0.00   0.00   0.00
    66   6    -0.01   0.01   0.01     0.01  -0.01  -0.01     0.01  -0.01  -0.00
    67   6    -0.01   0.00   0.01     0.01  -0.00  -0.01     0.00  -0.00  -0.01
    68   6    -0.00   0.01   0.01     0.00  -0.01  -0.01     0.00  -0.00  -0.01
    69   6    -0.01   0.01   0.01     0.01  -0.01  -0.00     0.01  -0.01  -0.00
    70   6     0.00   0.00  -0.01    -0.00  -0.00   0.01    -0.00  -0.00   0.01
    71   6    -0.01  -0.01  -0.01     0.01   0.01   0.01     0.01   0.01   0.01
    72   6    -0.01   0.00   0.00     0.01  -0.00  -0.01    -0.01   0.00   0.02
    73   6     0.00   0.00   0.00    -0.00  -0.00  -0.01     0.00  -0.00   0.01
    74   6    -0.00  -0.01  -0.00     0.00   0.01   0.00    -0.00  -0.01  -0.00
    75   6    -0.00  -0.00  -0.00    -0.00   0.00   0.02    -0.00   0.00  -0.03
    76   6    -0.00  -0.00  -0.01     0.00   0.01   0.00    -0.01  -0.01   0.01
    77   6    -0.00  -0.01  -0.00     0.00   0.01   0.00    -0.00  -0.01  -0.00
    78   6    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.01
    79   6     0.01  -0.00   0.00    -0.01   0.00   0.00     0.01   0.00  -0.01
    80   1    -0.01  -0.00  -0.04    -0.00   0.00   0.02    -0.00   0.00  -0.03
    81   1    -0.00   0.00  -0.16     0.00  -0.00   0.11     0.01   0.00   0.10
    82   1    -0.01  -0.02  -0.16     0.01   0.02   0.15     0.00   0.02   0.09
    83   1    -0.01   0.01  -0.24     0.01  -0.01   0.24     0.01  -0.00   0.15
    84   1    -0.00  -0.00   0.18     0.00  -0.00   0.07    -0.00  -0.00   0.00
    85   1    -0.00  -0.02   0.23    -0.01  -0.01   0.16    -0.01   0.00   0.05
    86   1    -0.02   0.01   0.17    -0.01   0.00   0.11     0.00  -0.00   0.03
    87   1     0.01   0.01   0.09    -0.01  -0.00  -0.13     0.02   0.01   0.11
    88   1     0.00  -0.00   0.11     0.01   0.00  -0.17    -0.01  -0.00   0.15
    89   1     0.01  -0.01   0.03     0.01   0.00  -0.08    -0.00  -0.00   0.07
    90   1     0.01   0.05   0.06    -0.02  -0.04  -0.06    -0.02  -0.06  -0.08
    91   1    -0.01   0.03   0.05    -0.03  -0.05  -0.07    -0.03  -0.07  -0.09
    92   1     0.09   0.26   0.35     0.07   0.24   0.32     0.03   0.11   0.15
    93   1     0.07   0.27   0.34     0.06   0.23   0.30     0.03   0.10   0.14
    94   1     0.11  -0.13  -0.20    -0.08   0.09   0.15    -0.05   0.06   0.09
    95   1     0.10  -0.12  -0.20    -0.07   0.09   0.14    -0.04   0.05   0.09
    96   1     0.10  -0.07  -0.15    -0.11   0.09   0.18    -0.10   0.09   0.16
    97   1     0.10  -0.10  -0.16    -0.11   0.11   0.18    -0.10   0.10   0.16
    98   1     0.02   0.05   0.07    -0.06  -0.20  -0.26     0.09   0.30   0.40
    99   1     0.02   0.05   0.07    -0.07  -0.20  -0.26     0.10   0.31   0.41
   100   1     0.01   0.06   0.08     0.01   0.02   0.02    -0.05  -0.14  -0.17
   101   1     0.02   0.07   0.08     0.01   0.00   0.01    -0.04  -0.11  -0.16
   102   1    -0.02   0.01  -0.08    -0.01   0.01  -0.07    -0.00   0.01  -0.03
   103   1     0.01   0.03  -0.08     0.01   0.02  -0.07     0.00   0.01  -0.04
   104   1    -0.02  -0.02   0.00    -0.01  -0.01   0.00    -0.00  -0.00   0.00
   105   1    -0.00  -0.03   0.09    -0.00  -0.02   0.09    -0.00  -0.01   0.04
   106   1    -0.01  -0.01   0.01    -0.00  -0.00  -0.02     0.00   0.00  -0.02
   107   1     0.01  -0.03   0.00     0.00  -0.02   0.00     0.00  -0.00   0.00
   108   1    -0.00   0.01   0.00    -0.00  -0.00   0.02    -0.00  -0.01   0.02
   109   1     0.02  -0.02  -0.02     0.01  -0.02   0.01     0.00  -0.01   0.02
   110   1     0.01   0.02   0.04    -0.01  -0.02  -0.03    -0.01  -0.02  -0.02
   111   1     0.01  -0.01   0.04    -0.01   0.01  -0.03    -0.00   0.01  -0.01
   112   1    -0.01   0.03  -0.00     0.01  -0.02   0.00     0.01  -0.02   0.00
   113   1    -0.02   0.01  -0.05     0.01  -0.01   0.04     0.01  -0.00   0.02
   114   1    -0.01   0.02  -0.04     0.01  -0.02   0.05     0.01  -0.01   0.04
   115   1    -0.02   0.01  -0.00     0.02  -0.01   0.00     0.02  -0.01   0.00
   116   1     0.01  -0.01   0.03    -0.01   0.01  -0.04    -0.01   0.01  -0.04
   117   1    -0.02  -0.01   0.04     0.02   0.01  -0.04     0.01   0.01  -0.04
   118   1    -0.01   0.00  -0.02     0.01  -0.01   0.06    -0.01   0.02  -0.09
   119   1     0.00   0.00  -0.01    -0.01  -0.02   0.06     0.01   0.03  -0.10
   120   1    -0.01  -0.01   0.00     0.01   0.01  -0.00    -0.01  -0.02   0.00
   121   1     0.00  -0.01   0.02     0.00   0.02  -0.07    -0.00  -0.03   0.11
   122   1    -0.00  -0.01   0.02     0.00   0.00   0.01    -0.00   0.00  -0.05
   123   1     0.00  -0.01   0.00    -0.00   0.02  -0.00     0.00  -0.02   0.00
   124   1     0.00   0.01  -0.02     0.00  -0.00  -0.01    -0.01  -0.01   0.05
   125   1     0.01  -0.00  -0.02    -0.01   0.01   0.00     0.01  -0.02   0.03
   126  17     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
                    148                    149                    150
                      A                      A                      A
 Frequencies --    851.2581               851.8292               852.0608
 Red. masses --      1.2808                 1.4271                 1.4063
 Frc consts  --      0.5468                 0.6101                 0.6016
 IR Inten    --      6.6273                 6.9281                63.0814
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.01   0.00
     2   6     0.00   0.00   0.01     0.00  -0.00  -0.01     0.00  -0.01  -0.01
     3   6     0.00   0.00  -0.01     0.00  -0.00   0.01     0.00  -0.01  -0.00
     4   6     0.00   0.00   0.01     0.00   0.00   0.00     0.00   0.00   0.02
     5   6    -0.00   0.00  -0.01     0.00   0.00  -0.00     0.00   0.00  -0.02
     6   6     0.00  -0.00  -0.01    -0.00   0.00  -0.00    -0.00   0.00  -0.02
     7   6     0.00  -0.00   0.01    -0.01  -0.00  -0.01    -0.00  -0.00   0.00
     8   6    -0.00   0.00   0.01     0.00  -0.00  -0.01     0.00   0.00   0.03
     9   6    -0.00   0.00  -0.00     0.01  -0.00   0.01     0.01  -0.00  -0.01
    10   6    -0.00   0.00  -0.00     0.00  -0.00  -0.01     0.00  -0.00  -0.01
    11   6     0.00  -0.00  -0.01    -0.01  -0.00   0.01    -0.00  -0.00  -0.01
    12   6     0.00  -0.00   0.01    -0.00   0.00  -0.01    -0.00   0.00   0.01
    13   6    -0.00  -0.00  -0.01    -0.00   0.01   0.02    -0.00  -0.00  -0.03
    14   6    -0.00  -0.00  -0.01     0.00   0.00   0.01    -0.00   0.01  -0.03
    15   7    -0.00   0.00   0.00     0.01  -0.01  -0.01     0.01  -0.01   0.00
    16   6    -0.00   0.00  -0.00     0.01  -0.00   0.03     0.00  -0.00   0.02
    17   6     0.00  -0.00  -0.00    -0.01   0.01   0.00    -0.01   0.01   0.00
    18   7    -0.00  -0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    19   6     0.00   0.00   0.00    -0.00  -0.01  -0.03     0.00  -0.01  -0.02
    20   6     0.00   0.00   0.00    -0.01  -0.01  -0.03    -0.00  -0.01  -0.02
    21   6    -0.00  -0.00  -0.00    -0.00   0.00   0.01    -0.00   0.00   0.01
    22   6     0.00  -0.00   0.00    -0.02   0.01  -0.02    -0.01   0.01  -0.01
    23   6     0.00   0.00   0.00    -0.00   0.00   0.01    -0.01   0.01   0.02
    24   6     0.00   0.01   0.01    -0.00  -0.01  -0.02     0.00   0.02   0.02
    25   6    -0.00  -0.00  -0.01     0.00   0.03   0.04     0.00   0.02   0.02
    26   6    -0.00  -0.01  -0.02     0.01   0.03   0.04    -0.02  -0.04  -0.06
    27   6    -0.00  -0.01  -0.02     0.01   0.03   0.04    -0.01  -0.05  -0.06
    28   6     0.00   0.01   0.01    -0.00  -0.01  -0.02     0.00   0.02   0.03
    29   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.01     0.01   0.01   0.02
    30   6     0.00  -0.00  -0.00    -0.01  -0.01  -0.01     0.01   0.01   0.01
    31   6     0.03  -0.03  -0.05     0.01  -0.01  -0.02     0.01   0.00  -0.01
    32   6     0.03  -0.03  -0.05     0.01  -0.01  -0.02     0.01   0.00  -0.01
    33   6    -0.00   0.00   0.00    -0.00   0.00   0.01    -0.01   0.01   0.02
    34   6    -0.03   0.03   0.05    -0.00   0.00   0.01     0.01  -0.01  -0.02
    35   6    -0.03   0.03   0.05    -0.01   0.00   0.01     0.01  -0.01  -0.02
    36   6    -0.00  -0.00  -0.00     0.01  -0.00  -0.01     0.00  -0.00  -0.01
    37   6    -0.00  -0.00  -0.01     0.01  -0.00  -0.00     0.00  -0.00  -0.01
    38   6    -0.00  -0.00  -0.01     0.01   0.03   0.04     0.01   0.02   0.03
    39   6     0.00   0.01   0.01    -0.01  -0.05  -0.06    -0.01  -0.03  -0.03
    40   6     0.00   0.01   0.01    -0.02  -0.04  -0.06    -0.01  -0.02  -0.03
    41   7     0.00   0.01  -0.00    -0.00   0.00  -0.00    -0.01   0.01  -0.01
    42   7     0.00   0.01  -0.00    -0.00  -0.02   0.01     0.00   0.02  -0.01
    43   7    -0.00  -0.00   0.00     0.01   0.03  -0.01     0.00   0.02  -0.01
    44   6    -0.00  -0.00   0.00     0.00   0.00  -0.01    -0.00  -0.00   0.02
    45   6     0.00   0.00  -0.00    -0.01  -0.00   0.01     0.01   0.01  -0.02
    46   6    -0.00   0.00   0.00     0.00  -0.00  -0.01    -0.01  -0.00   0.01
    47   6     0.00   0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    48   6    -0.00   0.00  -0.01    -0.00   0.00  -0.00     0.00  -0.00   0.01
    49   6     0.00  -0.00   0.02     0.00   0.00   0.01     0.00   0.01  -0.00
    50   6    -0.01   0.00  -0.02    -0.00   0.00  -0.01    -0.00  -0.00   0.00
    51   6     0.00  -0.00   0.01     0.00  -0.00   0.01     0.00   0.00   0.00
    52   6     0.00   0.00  -0.00    -0.00  -0.00   0.02    -0.00  -0.00   0.01
    53   6    -0.00  -0.00   0.00     0.01   0.01  -0.02     0.01   0.00  -0.01
    54   6     0.00   0.00  -0.00    -0.01   0.00   0.01    -0.00   0.00   0.00
    55   6    -0.00  -0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    56   6    -0.00   0.00   0.00     0.01  -0.00   0.00    -0.01   0.01  -0.01
    57   6     0.00   0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    58   6    -0.00  -0.00  -0.00     0.00   0.01   0.00    -0.00  -0.01  -0.01
    59   6     0.00  -0.00  -0.00    -0.00   0.01  -0.00     0.00  -0.01   0.01
    60   6    -0.00  -0.00  -0.01    -0.00  -0.00   0.02     0.00   0.00  -0.03
    61   6    -0.00  -0.00  -0.00     0.00   0.01   0.00    -0.01  -0.01  -0.00
    62   6    -0.00   0.00   0.00     0.00  -0.00  -0.01    -0.00   0.00   0.01
    63   6     0.00  -0.00   0.00    -0.01   0.00  -0.01     0.01  -0.01   0.02
    64   6     0.00  -0.00   0.02    -0.00  -0.00   0.01    -0.01  -0.01   0.00
    65   6     0.00   0.00   0.01     0.00   0.00   0.00     0.00   0.00   0.00
    66   6     0.00  -0.00   0.00     0.00  -0.00  -0.00     0.01  -0.00  -0.00
    67   6    -0.01   0.00  -0.02    -0.00   0.00  -0.01     0.00  -0.00  -0.01
    68   6     0.00  -0.01   0.02     0.00  -0.00   0.00     0.00  -0.00  -0.01
    69   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.01  -0.01  -0.00
    70   6    -0.00   0.00  -0.01    -0.00   0.00  -0.00    -0.00  -0.00   0.01
    71   6    -0.00   0.00  -0.02     0.00   0.00  -0.00     0.01   0.01   0.01
    72   6     0.00  -0.00   0.00    -0.02   0.01   0.00    -0.01   0.00   0.00
    73   6    -0.00  -0.00   0.00     0.01   0.00   0.00     0.00   0.00   0.00
    74   6     0.00   0.00   0.00    -0.00  -0.02  -0.01    -0.00  -0.01  -0.00
    75   6    -0.00   0.00  -0.00     0.00  -0.01  -0.00     0.00  -0.01  -0.00
    76   6    -0.00  -0.00   0.01    -0.00  -0.00  -0.03    -0.00  -0.00  -0.02
    77   6     0.00   0.00   0.00    -0.01  -0.02  -0.01    -0.01  -0.01  -0.00
    78   6     0.00  -0.00  -0.00    -0.01   0.00   0.01    -0.00   0.00   0.01
    79   6    -0.00   0.00  -0.00     0.02  -0.01   0.02     0.01  -0.00   0.01
    80   1    -0.01  -0.00  -0.00     0.01  -0.01  -0.02     0.00  -0.01  -0.04
    81   1    -0.00  -0.01  -0.02     0.00  -0.00   0.03     0.00  -0.01   0.07
    82   1    -0.00   0.00   0.02     0.00  -0.00   0.01     0.00   0.00   0.08
    83   1    -0.01  -0.00   0.04    -0.00   0.00   0.03     0.01   0.01   0.13
    84   1     0.01  -0.00   0.05    -0.01   0.01  -0.07    -0.00  -0.01   0.06
    85   1     0.00  -0.00   0.08    -0.01   0.01  -0.13    -0.00  -0.01   0.22
    86   1    -0.00  -0.00   0.06     0.01  -0.00  -0.10    -0.01   0.01   0.16
    87   1     0.00   0.00  -0.02     0.00  -0.01   0.17     0.00  -0.00   0.11
    88   1     0.00   0.00  -0.03    -0.01  -0.01   0.21    -0.01  -0.01   0.14
    89   1     0.01  -0.00  -0.02    -0.03   0.01   0.12    -0.02   0.01   0.07
    90   1     0.02   0.07   0.09    -0.05  -0.18  -0.24     0.08   0.29   0.38
    91   1     0.01   0.07   0.09    -0.04  -0.19  -0.25     0.07   0.30   0.40
    92   1     0.01   0.01   0.02     0.01   0.06   0.06    -0.01  -0.11  -0.12
    93   1     0.01   0.01   0.02     0.00   0.04   0.05    -0.01  -0.08  -0.10
    94   1    -0.20   0.20   0.35    -0.08   0.08   0.13    -0.03   0.04   0.05
    95   1    -0.22   0.22   0.37    -0.08   0.09   0.14    -0.02   0.04   0.05
    96   1     0.20  -0.22  -0.35     0.04  -0.04  -0.07    -0.07   0.08   0.14
    97   1     0.18  -0.20  -0.33     0.04  -0.04  -0.06    -0.08   0.08   0.13
    98   1     0.01   0.03   0.03     0.01   0.01  -0.00     0.01   0.03   0.03
    99   1     0.01   0.03   0.04     0.02  -0.02  -0.01     0.02   0.01   0.02
   100   1    -0.02  -0.07  -0.09     0.08   0.30   0.40     0.04   0.17   0.22
   101   1    -0.02  -0.07  -0.09     0.08   0.29   0.37     0.05   0.17   0.21
   102   1    -0.01  -0.00  -0.01     0.01   0.01  -0.01    -0.02  -0.01   0.02
   103   1     0.00   0.00  -0.00    -0.00   0.01  -0.02    -0.00  -0.01   0.04
   104   1    -0.01  -0.01   0.00     0.01   0.01  -0.00    -0.01  -0.01   0.00
   105   1     0.00  -0.00   0.01    -0.00   0.00   0.02     0.00   0.00  -0.04
   106   1    -0.00  -0.01   0.03     0.01   0.02  -0.07    -0.01  -0.03   0.12
   107   1     0.00  -0.01   0.00    -0.00   0.02  -0.01     0.00  -0.02   0.01
   108   1     0.00   0.01  -0.02    -0.00  -0.02   0.06     0.01   0.03  -0.10
   109   1     0.01  -0.00  -0.02    -0.01  -0.00   0.06     0.02   0.01  -0.09
   110   1    -0.02   0.01  -0.08    -0.01   0.00  -0.03    -0.01  -0.01  -0.02
   111   1    -0.02   0.02  -0.10    -0.01   0.01  -0.04    -0.00   0.00  -0.01
   112   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.01   0.00
   113   1     0.02  -0.01   0.11     0.01  -0.01   0.04     0.01  -0.00   0.02
   114   1    -0.02   0.01  -0.10    -0.00   0.00  -0.02     0.01  -0.01   0.04
   115   1    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.01  -0.01   0.00
   116   1     0.02  -0.02   0.10     0.00  -0.00   0.02    -0.01   0.01  -0.03
   117   1     0.01  -0.01   0.07     0.01  -0.00   0.01     0.01   0.01  -0.03
   118   1     0.00   0.00  -0.01    -0.03  -0.01  -0.01    -0.02  -0.00  -0.01
   119   1     0.00   0.00  -0.01     0.00  -0.00   0.01     0.00   0.00   0.00
   120   1     0.00   0.00  -0.00    -0.02  -0.02   0.01    -0.01  -0.01   0.00
   121   1    -0.00  -0.00   0.01     0.00  -0.01  -0.00     0.00  -0.01   0.01
   122   1     0.00   0.01  -0.03    -0.02  -0.03   0.12    -0.01  -0.02   0.07
   123   1    -0.00   0.00  -0.00     0.00  -0.03   0.01     0.00  -0.02   0.01
   124   1    -0.00  -0.01   0.02     0.01   0.03  -0.10     0.00   0.02  -0.06
   125   1    -0.00  -0.00   0.02     0.03   0.00  -0.10     0.02  -0.00  -0.06
   126  17     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
                    151                    152                    153
                      A                      A                      A
 Frequencies --    866.3742               866.9835               867.4263
 Red. masses --      1.3683                 1.3623                 1.3593
 Frc consts  --      0.6051                 0.6033                 0.6026
 IR Inten    --      1.2397                 1.6967                 1.7446
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.03    -0.00  -0.00   0.00     0.00   0.00  -0.00
     2   6    -0.00   0.00   0.01    -0.00  -0.00  -0.00     0.00   0.00   0.01
     3   6    -0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
     4   6     0.00  -0.00  -0.03     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     5   6     0.00   0.00   0.03     0.00  -0.00   0.00    -0.00  -0.00  -0.00
     6   6     0.00   0.00   0.03    -0.00   0.00   0.00    -0.00  -0.00   0.00
     7   6     0.00   0.00   0.00     0.00   0.00  -0.00     0.00   0.00   0.00
     8   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.02    -0.00   0.00  -0.00
     9   6    -0.00   0.00  -0.01    -0.00   0.00   0.01    -0.00   0.00  -0.00
    10   6     0.00   0.00   0.02     0.00   0.00  -0.00    -0.00   0.00   0.00
    11   6     0.00   0.00  -0.01     0.00   0.00   0.01     0.00   0.00  -0.01
    12   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.03     0.00  -0.00   0.00
    13   6    -0.00  -0.00   0.00    -0.00   0.00   0.03     0.00  -0.00  -0.00
    14   6    -0.00  -0.00   0.00    -0.00   0.00   0.03    -0.00  -0.00   0.00
    15   7    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    16   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.02
    17   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
    18   7     0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    19   6    -0.00   0.00  -0.00     0.00   0.00   0.01     0.00   0.00   0.03
    20   6     0.00   0.00  -0.01     0.00   0.00   0.01     0.00   0.00   0.03
    21   6    -0.00   0.00   0.01    -0.00  -0.00  -0.01     0.00  -0.00  -0.03
    22   6    -0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00   0.01
    23   6    -0.00   0.00   0.01     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    24   6    -0.00  -0.00  -0.00     0.00   0.00   0.01     0.00   0.00   0.00
    25   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    26   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    27   6     0.00  -0.00   0.00     0.00  -0.01  -0.00    -0.00   0.00  -0.00
    28   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
    29   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
    30   6     0.00   0.00  -0.00    -0.00   0.00   0.01    -0.00  -0.00  -0.00
    31   6    -0.00   0.00   0.01    -0.00   0.00   0.00    -0.00   0.00   0.00
    32   6    -0.00  -0.01  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    33   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    34   6     0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    35   6    -0.00   0.00   0.01    -0.00   0.00   0.00    -0.00   0.00   0.00
    36   6     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.01
    37   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.01  -0.00  -0.00
    38   6    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.01
    39   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
    40   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.01   0.01
    41   7    -0.00   0.00  -0.02     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    42   7     0.00  -0.00   0.00     0.00   0.00  -0.02     0.00   0.00   0.00
    43   7    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.02
    44   6     0.00  -0.00   0.00    -0.00  -0.01   0.03     0.00   0.00  -0.00
    45   6    -0.00  -0.00  -0.00     0.00   0.00  -0.02    -0.00  -0.00   0.00
    46   6    -0.00   0.00   0.00     0.00   0.01  -0.03    -0.00  -0.00   0.01
    47   6    -0.00   0.00  -0.00    -0.00  -0.01   0.04     0.00   0.00  -0.01
    48   6     0.01  -0.01   0.04     0.00  -0.00   0.00     0.00  -0.00   0.00
    49   6    -0.00   0.01  -0.02    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    50   6    -0.01   0.00  -0.02     0.00   0.00  -0.00    -0.00   0.00  -0.00
    51   6     0.01  -0.01   0.04     0.00  -0.00   0.00     0.00  -0.00   0.00
    52   6     0.00   0.00  -0.00    -0.00  -0.00   0.01    -0.00  -0.01   0.04
    53   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.01  -0.02
    54   6     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.01  -0.02
    55   6     0.00   0.00  -0.00    -0.00  -0.00   0.01    -0.00  -0.01   0.03
    56   6     0.00   0.00  -0.00    -0.01  -0.02   0.06     0.00   0.00  -0.01
    57   6     0.00   0.00  -0.00    -0.00  -0.01   0.04     0.00   0.00  -0.01
    58   6     0.00   0.00  -0.00     0.00   0.01  -0.04    -0.00  -0.00   0.01
    59   6    -0.00   0.00   0.00     0.00   0.02  -0.07    -0.00  -0.00   0.01
    60   6    -0.00   0.00  -0.00     0.01   0.02  -0.06    -0.00  -0.00   0.01
    61   6     0.00   0.00   0.00     0.00   0.01  -0.03    -0.00  -0.00   0.01
    62   6     0.00  -0.00   0.00    -0.01  -0.01   0.04     0.00   0.00  -0.01
    63   6    -0.00  -0.00   0.00    -0.00  -0.01   0.05     0.00   0.00  -0.01
    64   6     0.01  -0.01   0.06     0.00   0.00   0.00     0.00  -0.00   0.01
    65   6     0.01  -0.01   0.04     0.00  -0.00   0.00     0.00  -0.00   0.01
    66   6    -0.01   0.01  -0.03    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    67   6    -0.02   0.01  -0.07    -0.00   0.00  -0.00    -0.00   0.00  -0.01
    68   6    -0.01   0.02  -0.07    -0.00   0.00  -0.00    -0.00   0.00  -0.01
    69   6    -0.01   0.01  -0.03    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    70   6     0.01  -0.01   0.04     0.00  -0.00   0.00     0.00  -0.00   0.01
    71   6     0.01  -0.01   0.06     0.00  -0.00   0.00     0.00  -0.00   0.01
    72   6     0.00   0.00  -0.01    -0.00  -0.00   0.01    -0.00  -0.02   0.06
    73   6    -0.00   0.00  -0.01    -0.00  -0.00   0.01    -0.00  -0.01   0.04
    74   6    -0.00  -0.00   0.00     0.00   0.00  -0.01     0.00   0.01  -0.03
    75   6    -0.00  -0.00   0.01     0.00   0.00  -0.01     0.00   0.02  -0.07
    76   6    -0.00  -0.00   0.01     0.00   0.00  -0.01     0.01   0.02  -0.07
    77   6     0.00  -0.00   0.00     0.00   0.00  -0.01     0.00   0.01  -0.03
    78   6     0.00   0.00  -0.01    -0.00  -0.00   0.01    -0.01  -0.01   0.04
    79   6    -0.00   0.00  -0.01    -0.00  -0.00   0.01    -0.01  -0.01   0.06
    80   1    -0.00  -0.00  -0.01     0.00   0.00   0.03    -0.00   0.00   0.03
    81   1    -0.00  -0.00  -0.05     0.00   0.00   0.01    -0.00  -0.00  -0.02
    82   1    -0.00  -0.00  -0.16    -0.00  -0.00  -0.01    -0.00  -0.00   0.00
    83   1    -0.00   0.00  -0.22    -0.00   0.00  -0.01    -0.00  -0.00   0.00
    84   1    -0.00   0.00   0.03     0.00   0.00  -0.03     0.00  -0.00   0.02
    85   1     0.00  -0.00  -0.02     0.00   0.00  -0.22     0.00  -0.00   0.01
    86   1    -0.00  -0.00  -0.02    -0.00  -0.00  -0.18    -0.00  -0.00   0.01
    87   1    -0.00   0.00   0.04     0.00  -0.00  -0.04    -0.00  -0.00  -0.17
    88   1     0.00   0.00   0.04     0.00  -0.00  -0.04     0.00   0.00  -0.20
    89   1     0.00  -0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.04
    90   1    -0.00  -0.00  -0.00    -0.01  -0.02  -0.02     0.00   0.01   0.01
    91   1    -0.00  -0.00  -0.00     0.01   0.02   0.02    -0.00   0.00   0.00
    92   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.01
    93   1    -0.00  -0.00  -0.00    -0.01  -0.04  -0.05     0.00   0.01   0.01
    94   1     0.02  -0.02  -0.03     0.00  -0.00  -0.00     0.01  -0.01  -0.01
    95   1    -0.01   0.01   0.02     0.00  -0.00  -0.00     0.01  -0.01  -0.01
    96   1    -0.00   0.01   0.01     0.00  -0.00  -0.00     0.01  -0.01  -0.01
    97   1     0.02  -0.02  -0.03     0.00  -0.00  -0.00     0.01  -0.01  -0.01
    98   1    -0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.01  -0.03  -0.04
    99   1    -0.00  -0.01  -0.01     0.00   0.01   0.01    -0.00   0.01   0.01
   100   1    -0.00  -0.01  -0.01     0.00   0.00   0.00    -0.00  -0.02  -0.02
   101   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.01    -0.01  -0.05  -0.06
   102   1    -0.00  -0.00   0.00     0.03   0.09  -0.36    -0.01  -0.02   0.06
   103   1     0.00  -0.00   0.00     0.03   0.08  -0.29    -0.00  -0.01   0.05
   104   1     0.00  -0.00   0.00    -0.02  -0.06   0.22     0.00   0.01  -0.04
   105   1    -0.00   0.00  -0.00    -0.04  -0.14   0.44     0.01   0.02  -0.08
   106   1    -0.00  -0.00   0.00    -0.04  -0.12   0.37     0.01   0.02  -0.06
   107   1    -0.00   0.00   0.00    -0.02  -0.05   0.20     0.00   0.01  -0.03
   108   1     0.00  -0.00  -0.00     0.02   0.06  -0.23    -0.00  -0.01   0.04
   109   1    -0.00   0.00  -0.00     0.02   0.08  -0.31    -0.00  -0.01   0.05
   110   1    -0.07   0.06  -0.34    -0.00   0.00  -0.00    -0.01   0.01  -0.04
   111   1    -0.05   0.05  -0.27    -0.00   0.00  -0.00    -0.01   0.01  -0.03
   112   1     0.05  -0.04   0.21     0.00  -0.00   0.00     0.01  -0.00   0.03
   113   1     0.10  -0.08   0.41     0.00  -0.00   0.00     0.01  -0.01   0.05
   114   1     0.09  -0.09   0.41     0.00  -0.00   0.01     0.01  -0.01   0.06
   115   1     0.04  -0.04   0.21     0.00  -0.00   0.00     0.00  -0.01   0.03
   116   1    -0.06   0.05  -0.27    -0.00   0.00  -0.00    -0.01   0.01  -0.04
   117   1    -0.07   0.06  -0.34    -0.00   0.00  -0.01    -0.01   0.01  -0.05
   118   1    -0.00  -0.01   0.04     0.00   0.01  -0.05     0.03   0.08  -0.34
   119   1    -0.00  -0.01   0.03     0.00   0.01  -0.04     0.03   0.07  -0.26
   120   1     0.00   0.01  -0.03    -0.00  -0.01   0.03    -0.02  -0.05   0.21
   121   1     0.00   0.02  -0.05    -0.01  -0.02   0.07    -0.04  -0.12   0.40
   122   1     0.01   0.02  -0.05    -0.01  -0.02   0.06    -0.04  -0.12   0.41
   123   1     0.00   0.01  -0.03    -0.00  -0.01   0.03    -0.02  -0.05   0.21
   124   1    -0.00  -0.01   0.03     0.00   0.01  -0.04     0.02   0.07  -0.26
   125   1    -0.00  -0.01   0.04     0.00   0.01  -0.05     0.03   0.09  -0.34
   126  17     0.00   0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
                    154                    155                    156
                      A                      A                      A
 Frequencies --    871.2577               871.7247               872.0396
 Red. masses --      1.5011                 1.4988                 1.4967
 Frc consts  --      0.6713                 0.6711                 0.6706
 IR Inten    --      0.0901                 0.1256                 0.0216
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     2   6     0.00   0.00   0.01     0.00   0.00   0.01     0.00   0.00  -0.00
     3   6     0.00   0.00  -0.01    -0.00   0.00  -0.01    -0.00   0.00   0.00
     4   6     0.00   0.00   0.01    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
     5   6    -0.00   0.00  -0.01    -0.00   0.00  -0.00    -0.00   0.00   0.00
     6   6    -0.00  -0.00  -0.01     0.00  -0.00   0.00     0.00  -0.00   0.00
     7   6    -0.00  -0.00   0.00     0.00  -0.00   0.01     0.00  -0.00  -0.00
     8   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.02    -0.00  -0.00   0.00
     9   6    -0.00   0.00   0.00     0.00   0.00   0.01    -0.00   0.00  -0.00
    10   6     0.00   0.00  -0.01    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    11   6     0.00  -0.00  -0.00     0.00  -0.00  -0.01     0.00  -0.00   0.00
    12   6     0.00  -0.00   0.00     0.00  -0.00  -0.02     0.00  -0.00   0.00
    13   6     0.00   0.00  -0.00    -0.00   0.00   0.03     0.00   0.00  -0.00
    14   6    -0.00  -0.00  -0.00    -0.00  -0.00   0.02    -0.00  -0.00  -0.00
    15   7     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
    16   6     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00   0.01
    17   6    -0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    18   7     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
    19   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.01
    20   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.01
    21   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00   0.01
    22   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    23   6     0.01  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    24   6     0.00  -0.00  -0.00     0.01   0.01   0.01     0.00  -0.00  -0.00
    25   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.01  -0.01
    26   6    -0.00   0.00  -0.00     0.00   0.01   0.02     0.00   0.00   0.00
    27   6    -0.00   0.00  -0.00     0.00   0.00   0.01    -0.00   0.00   0.00
    28   6     0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    29   6    -0.00  -0.00   0.00    -0.01  -0.01  -0.02    -0.00  -0.00   0.00
    30   6    -0.00   0.00   0.00    -0.00  -0.02  -0.02    -0.00  -0.00   0.00
    31   6     0.01  -0.01  -0.02     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    32   6     0.00  -0.01  -0.01     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    33   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    34   6    -0.01   0.01   0.02    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    35   6    -0.01   0.01   0.02    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    36   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.01  -0.02
    37   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.01  -0.01
    38   6    -0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    39   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.01   0.02
    40   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.01   0.02   0.02
    41   7     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    42   7     0.00  -0.00   0.00     0.00   0.01  -0.00     0.00  -0.00  -0.00
    43   7     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
    44   6     0.00   0.00  -0.00    -0.00  -0.01   0.05    -0.00  -0.00   0.00
    45   6    -0.00  -0.00   0.00     0.01   0.02  -0.07    -0.00   0.00  -0.00
    46   6     0.00   0.00  -0.00    -0.01  -0.02   0.07    -0.00  -0.00   0.00
    47   6    -0.00  -0.00   0.00     0.01   0.01  -0.05     0.00   0.00  -0.00
    48   6     0.01  -0.01   0.05     0.00  -0.00   0.00    -0.00   0.00  -0.00
    49   6    -0.01   0.01  -0.07    -0.00   0.00  -0.00     0.00   0.00   0.00
    50   6     0.02  -0.01   0.07     0.00  -0.00   0.00    -0.00  -0.00   0.00
    51   6    -0.01   0.01  -0.05    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    52   6    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.01   0.05
    53   6     0.00   0.00  -0.00     0.00  -0.00   0.00     0.01   0.02  -0.07
    54   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.02   0.07
    55   6     0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.01  -0.05
    56   6    -0.00  -0.00   0.00     0.00   0.02  -0.06     0.00   0.00  -0.00
    57   6     0.00  -0.00   0.00     0.00   0.01  -0.04    -0.00   0.00  -0.00
    58   6     0.00   0.00  -0.00    -0.00  -0.01   0.02     0.00   0.00   0.00
    59   6    -0.00   0.00  -0.00    -0.00  -0.02   0.07    -0.00  -0.00   0.00
    60   6    -0.00  -0.00   0.00     0.01   0.02  -0.07     0.00   0.00  -0.00
    61   6     0.00   0.00   0.00     0.00   0.00  -0.03     0.00   0.00  -0.00
    62   6     0.00   0.00  -0.00    -0.01  -0.01   0.04    -0.00  -0.00   0.00
    63   6    -0.00   0.00  -0.00    -0.00  -0.02   0.06    -0.00  -0.00   0.00
    64   6    -0.01   0.01  -0.06    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    65   6    -0.01   0.00  -0.04    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    66   6     0.00  -0.00   0.03     0.00  -0.00   0.00     0.00  -0.00   0.00
    67   6     0.02  -0.01   0.07     0.00  -0.00   0.00     0.00  -0.00   0.00
    68   6    -0.02   0.02  -0.08    -0.00   0.00  -0.00     0.00  -0.00   0.00
    69   6    -0.01   0.01  -0.03     0.00  -0.00  -0.00     0.00  -0.00   0.00
    70   6     0.01  -0.01   0.04     0.00  -0.00   0.00    -0.00   0.00  -0.00
    71   6     0.01  -0.01   0.06     0.00   0.00   0.00     0.00   0.00  -0.00
    72   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.01   0.01  -0.06
    73   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.01  -0.04
    74   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.03
    75   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.02   0.07
    76   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.01   0.02  -0.07
    77   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.01  -0.03
    78   6    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.01  -0.01   0.04
    79   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.01  -0.02   0.06
    80   1     0.00  -0.00   0.00     0.00   0.00   0.02     0.00   0.00  -0.01
    81   1    -0.00  -0.00  -0.04    -0.00   0.00  -0.02     0.00   0.00   0.01
    82   1    -0.00   0.00   0.05     0.00   0.00  -0.00     0.00   0.00  -0.02
    83   1    -0.00  -0.00   0.07     0.00  -0.00   0.00    -0.00  -0.00  -0.03
    84   1    -0.00  -0.00   0.01    -0.00   0.00   0.08     0.00  -0.00  -0.01
    85   1    -0.00   0.00   0.01    -0.01   0.00  -0.17    -0.00   0.00   0.02
    86   1     0.00  -0.00   0.01    -0.00  -0.00  -0.14     0.00  -0.00   0.01
    87   1    -0.00  -0.00  -0.00     0.00  -0.00  -0.02     0.00   0.00   0.04
    88   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.02    -0.00   0.00   0.05
    89   1    -0.00   0.00   0.00    -0.00   0.00   0.01    -0.00  -0.00  -0.01
    90   1     0.00   0.00   0.00    -0.03  -0.07  -0.10    -0.00  -0.01  -0.01
    91   1    -0.00   0.00  -0.00    -0.02  -0.05  -0.06    -0.00  -0.01  -0.01
    92   1    -0.00  -0.01  -0.01     0.02   0.11   0.13    -0.00  -0.00   0.00
    93   1    -0.00  -0.01  -0.01     0.02   0.11   0.15    -0.00  -0.00   0.00
    94   1    -0.07   0.06   0.12    -0.01   0.01   0.01    -0.00   0.00   0.01
    95   1    -0.06   0.05   0.09    -0.01   0.01   0.01    -0.01   0.00   0.01
    96   1     0.07  -0.08  -0.12    -0.00  -0.00   0.00    -0.01   0.00   0.01
    97   1     0.08  -0.09  -0.14    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    98   1     0.00   0.00   0.00     0.00   0.00   0.01     0.02   0.09   0.11
    99   1     0.00   0.00   0.00     0.00   0.01   0.01     0.02   0.07   0.08
   100   1     0.00   0.00   0.00     0.00   0.01   0.01    -0.03  -0.10  -0.12
   101   1     0.00   0.00   0.00     0.00   0.01   0.01    -0.04  -0.11  -0.15
   102   1     0.00   0.00  -0.02    -0.03  -0.08   0.30     0.00  -0.00   0.00
   103   1     0.00   0.00  -0.01    -0.03  -0.08   0.28    -0.00  -0.00   0.01
   104   1    -0.00  -0.00   0.01     0.01   0.05  -0.18     0.00   0.00  -0.00
   105   1    -0.00  -0.01   0.02     0.04   0.12  -0.39     0.00   0.00  -0.01
   106   1     0.00   0.01  -0.02    -0.04  -0.13   0.41    -0.00  -0.01   0.02
   107   1     0.00   0.00  -0.01    -0.02  -0.06   0.19    -0.00  -0.00   0.01
   108   1    -0.00  -0.00   0.01     0.02   0.08  -0.29     0.00   0.00  -0.01
   109   1    -0.00  -0.00   0.02     0.03   0.08  -0.32     0.00   0.00  -0.01
   110   1     0.06  -0.05   0.31     0.00  -0.00   0.02     0.00  -0.00   0.01
   111   1     0.06  -0.06   0.29     0.00  -0.00   0.02     0.00  -0.00   0.00
   112   1    -0.04   0.04  -0.18    -0.00   0.00  -0.01    -0.00  -0.00  -0.00
   113   1    -0.10   0.08  -0.40    -0.01   0.00  -0.02    -0.00   0.00  -0.01
   114   1     0.10  -0.09   0.42     0.00  -0.00   0.01    -0.00   0.00  -0.01
   115   1     0.04  -0.04   0.19     0.00  -0.00   0.01     0.00   0.00  -0.00
   116   1    -0.07   0.05  -0.31    -0.00   0.00  -0.01     0.00  -0.00   0.00
   117   1    -0.07   0.06  -0.32    -0.00   0.00  -0.01     0.00  -0.00   0.00
   118   1    -0.00  -0.00   0.01    -0.00  -0.00   0.00    -0.02  -0.08   0.32
   119   1    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.03  -0.08   0.29
   120   1    -0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.02   0.05  -0.19
   121   1     0.00   0.00  -0.01     0.00   0.00  -0.00     0.04   0.12  -0.40
   122   1     0.00   0.00  -0.00     0.00   0.01  -0.02    -0.04  -0.12   0.41
   123   1     0.00  -0.00  -0.00     0.00   0.00  -0.01    -0.02  -0.05   0.19
   124   1    -0.00  -0.00   0.00    -0.00  -0.00   0.01     0.02   0.08  -0.30
   125   1     0.00  -0.00   0.00    -0.00  -0.01   0.02     0.03   0.08  -0.32
   126  17    -0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
                    157                    158                    159
                      A                      A                      A
 Frequencies --    874.1270               874.9436               877.5946
 Red. masses --      1.5715                 1.5215                 1.6108
 Frc consts  --      0.7075                 0.6862                 0.7310
 IR Inten    --      0.5212                 1.3934                 3.1579
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.01   0.05     0.00   0.00   0.05    -0.00  -0.00   0.02
     2   6     0.01  -0.01   0.03     0.00   0.01  -0.00    -0.00  -0.00   0.01
     3   6     0.01  -0.00  -0.04     0.00   0.01   0.00     0.00  -0.00  -0.01
     4   6     0.01  -0.00   0.06    -0.00  -0.00   0.04     0.00   0.00   0.03
     5   6    -0.00  -0.00  -0.06    -0.00  -0.01  -0.05     0.00  -0.00  -0.03
     6   6    -0.01   0.01  -0.07    -0.00  -0.00  -0.06    -0.00   0.00  -0.03
     7   6     0.00   0.01   0.03    -0.00   0.00  -0.01     0.00   0.01   0.01
     8   6     0.00   0.00  -0.04     0.00  -0.00   0.04     0.00   0.00  -0.01
     9   6    -0.00  -0.00   0.04     0.00  -0.00  -0.01    -0.01   0.00   0.02
    10   6    -0.00  -0.00  -0.04    -0.00  -0.00  -0.02     0.00   0.00  -0.03
    11   6    -0.00   0.01  -0.03    -0.01   0.00   0.03     0.00   0.01  -0.01
    12   6    -0.01   0.00  -0.03    -0.00   0.00   0.05    -0.01   0.00  -0.02
    13   6    -0.00  -0.01   0.05     0.00   0.01  -0.07    -0.00  -0.01   0.03
    14   6    -0.00   0.00   0.05     0.01  -0.00  -0.06    -0.00  -0.00   0.02
    15   7    -0.00  -0.00  -0.01     0.00   0.00   0.01    -0.01   0.00  -0.01
    16   6    -0.00   0.00  -0.02     0.00  -0.00   0.00    -0.00  -0.00   0.07
    17   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.01  -0.00  -0.03
    18   7    -0.00  -0.00   0.01    -0.00   0.00   0.00     0.00   0.00   0.02
    19   6     0.00   0.00   0.03    -0.00  -0.00  -0.00    -0.01   0.00  -0.08
    20   6     0.00  -0.00   0.03    -0.00   0.00  -0.00     0.00   0.01  -0.10
    21   6     0.00  -0.00  -0.03    -0.00   0.00  -0.00    -0.00   0.00   0.09
    22   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.01  -0.00
    23   6     0.02  -0.03  -0.04     0.02  -0.03  -0.04     0.01  -0.01  -0.01
    24   6     0.00   0.02   0.03    -0.01  -0.03  -0.04     0.00   0.01   0.01
    25   6     0.01   0.02   0.02    -0.00   0.00   0.00    -0.01  -0.04  -0.05
    26   6    -0.00  -0.02  -0.01     0.01   0.02   0.02    -0.00  -0.01  -0.00
    27   6     0.00  -0.02  -0.01     0.00   0.02   0.02     0.00  -0.01  -0.00
    28   6     0.00   0.01   0.01    -0.01  -0.01  -0.02     0.00   0.00   0.00
    29   6     0.00  -0.00  -0.01     0.00   0.01   0.01     0.00  -0.00  -0.01
    30   6     0.00  -0.01  -0.01     0.00   0.01   0.01     0.00  -0.00  -0.01
    31   6    -0.02   0.02   0.01    -0.01   0.01   0.02    -0.01   0.01   0.00
    32   6    -0.01   0.02   0.01    -0.01   0.02   0.02    -0.00   0.01   0.00
    33   6     0.01  -0.01  -0.02     0.01  -0.01  -0.02     0.00  -0.00  -0.00
    34   6    -0.01   0.01   0.01    -0.01   0.01   0.01    -0.00   0.00   0.01
    35   6    -0.01   0.01   0.02    -0.01   0.01   0.02    -0.00   0.00   0.01
    36   6    -0.00  -0.01  -0.01     0.00  -0.00  -0.00     0.01   0.03   0.02
    37   6    -0.01  -0.01  -0.01     0.00   0.00  -0.00     0.02   0.02   0.02
    38   6     0.00   0.01   0.01     0.00   0.00   0.00    -0.00  -0.02  -0.02
    39   6    -0.00  -0.01  -0.01     0.00  -0.00  -0.00     0.00   0.02   0.02
    40   6    -0.00  -0.01  -0.01    -0.00  -0.00  -0.00     0.01   0.02   0.02
    41   7     0.02  -0.02  -0.00     0.02  -0.02  -0.00     0.01  -0.01  -0.00
    42   7     0.00   0.02   0.00    -0.01  -0.03  -0.00     0.00   0.01   0.00
    43   7     0.00   0.02   0.00     0.00   0.00  -0.00    -0.01  -0.04  -0.00
    44   6    -0.00   0.01  -0.01     0.00  -0.01   0.01    -0.00   0.00  -0.00
    45   6     0.00  -0.00   0.01    -0.00   0.00  -0.02     0.00  -0.00   0.00
    46   6    -0.00   0.00  -0.01     0.01  -0.01   0.01    -0.00   0.00   0.00
    47   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    48   6     0.00  -0.00  -0.00     0.01  -0.00   0.00     0.00  -0.00  -0.00
    49   6    -0.00  -0.01   0.00    -0.00  -0.01  -0.00    -0.00  -0.00   0.00
    50   6     0.00   0.00  -0.01     0.00   0.00  -0.01     0.00   0.00  -0.00
    51   6     0.00  -0.01   0.01     0.00  -0.01   0.01     0.00  -0.00   0.00
    52   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.01   0.00
    53   6     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.01   0.00  -0.00
    54   6    -0.00  -0.00   0.01    -0.00   0.00  -0.00     0.01  -0.00  -0.01
    55   6     0.00   0.00  -0.01     0.00   0.00   0.00    -0.01  -0.01   0.01
    56   6    -0.01   0.00  -0.00     0.02  -0.01   0.00    -0.00   0.00  -0.00
    57   6     0.00   0.00   0.00    -0.01  -0.00   0.00     0.00   0.00  -0.00
    58   6    -0.00  -0.01  -0.00     0.00   0.02   0.00    -0.00  -0.01   0.00
    59   6     0.00  -0.01  -0.00     0.00   0.01   0.00     0.00  -0.00   0.00
    60   6    -0.01  -0.01   0.02     0.01   0.01  -0.02    -0.00  -0.00   0.00
    61   6    -0.01  -0.01   0.01     0.01   0.02  -0.01    -0.00  -0.01   0.00
    62   6     0.00   0.01  -0.01    -0.00  -0.01   0.02    -0.00   0.00  -0.00
    63   6     0.01   0.00  -0.02    -0.02  -0.01   0.02     0.00   0.00  -0.00
    64   6     0.01   0.01   0.02     0.02   0.01   0.01     0.00   0.00   0.00
    65   6     0.00  -0.01   0.01     0.00  -0.01   0.01     0.00  -0.00   0.00
    66   6    -0.01   0.01  -0.01    -0.01   0.01  -0.01    -0.00   0.00  -0.00
    67   6    -0.01   0.01  -0.01    -0.01   0.01  -0.01    -0.00   0.00  -0.00
    68   6    -0.01   0.01  -0.00    -0.01   0.01  -0.00    -0.00   0.00  -0.00
    69   6    -0.01   0.01  -0.00    -0.01   0.02  -0.00    -0.00   0.00  -0.00
    70   6     0.01  -0.00   0.00     0.01  -0.00   0.00     0.00  -0.00   0.00
    71   6    -0.01  -0.01   0.01    -0.01  -0.02   0.01    -0.00  -0.00   0.00
    72   6    -0.01   0.01  -0.01    -0.00   0.00   0.00     0.02  -0.01   0.02
    73   6     0.00   0.00  -0.01     0.00   0.00   0.00    -0.01  -0.01   0.01
    74   6    -0.00  -0.01   0.01    -0.00  -0.00  -0.00     0.00   0.03  -0.01
    75   6    -0.00  -0.01   0.01     0.00  -0.00  -0.00    -0.00   0.02  -0.01
    76   6    -0.00  -0.01   0.00    -0.00  -0.00  -0.00     0.01   0.01  -0.01
    77   6    -0.00  -0.01   0.00    -0.00  -0.00  -0.00     0.01   0.02  -0.00
    78   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.01   0.01
    79   6     0.01  -0.00  -0.00     0.00  -0.00  -0.00    -0.02   0.00   0.01
    80   1    -0.01   0.00   0.08     0.00   0.00  -0.05    -0.00   0.00  -0.08
    81   1     0.00  -0.00  -0.15     0.00   0.01  -0.03    -0.00  -0.00  -0.04
    82   1    -0.01  -0.02   0.36    -0.00  -0.00   0.29    -0.00  -0.01   0.14
    83   1     0.00   0.01   0.48    -0.00  -0.00   0.37     0.00   0.00   0.20
    84   1     0.00   0.00   0.16    -0.00   0.00  -0.18     0.01   0.00   0.05
    85   1     0.01  -0.01  -0.34     0.00   0.00   0.46     0.01  -0.01  -0.17
    86   1    -0.01   0.01  -0.29     0.01  -0.00   0.40    -0.01   0.00  -0.13
    87   1     0.01  -0.00  -0.19    -0.00  -0.00   0.01    -0.02   0.01   0.53
    88   1     0.01  -0.00  -0.19    -0.00   0.00   0.01     0.00   0.01   0.56
    89   1     0.01  -0.00   0.03     0.00  -0.00  -0.02     0.01  -0.01  -0.05
    90   1     0.01   0.07   0.09    -0.02  -0.11  -0.14     0.00   0.02   0.03
    91   1     0.04   0.08   0.12    -0.04  -0.14  -0.18     0.02   0.03   0.04
    92   1     0.02   0.04   0.05    -0.02  -0.07  -0.10     0.01   0.02   0.03
    93   1     0.01   0.03   0.04    -0.01  -0.05  -0.06     0.00   0.02   0.02
    94   1     0.05  -0.07  -0.10     0.05  -0.07  -0.11     0.01  -0.02  -0.03
    95   1     0.09  -0.07  -0.14     0.09  -0.09  -0.15     0.03  -0.02  -0.05
    96   1     0.06  -0.06  -0.10     0.06  -0.08  -0.12     0.02  -0.02  -0.03
    97   1     0.04  -0.04  -0.07     0.05  -0.05  -0.08     0.01  -0.01  -0.02
    98   1     0.02   0.06   0.08    -0.00   0.00   0.00    -0.05  -0.10  -0.13
    99   1     0.02   0.08   0.10     0.00   0.00   0.00    -0.03  -0.16  -0.20
   100   1     0.02   0.05   0.06     0.00   0.00   0.00    -0.04  -0.12  -0.16
   101   1     0.01   0.03   0.04    -0.00   0.00   0.00    -0.02  -0.08  -0.10
   102   1    -0.02  -0.01   0.01     0.03   0.01  -0.02    -0.01  -0.00   0.01
   103   1     0.00   0.00   0.00    -0.00  -0.00  -0.01     0.00  -0.00   0.01
   104   1    -0.01  -0.01  -0.02     0.02   0.01   0.03    -0.00  -0.00  -0.01
   105   1     0.00  -0.00  -0.01    -0.00   0.00   0.02     0.00   0.00  -0.01
   106   1     0.01   0.04  -0.12    -0.01  -0.05   0.17     0.00   0.01  -0.02
   107   1     0.01   0.01  -0.08    -0.02  -0.01   0.11     0.00  -0.00  -0.02
   108   1    -0.01  -0.02   0.08     0.01   0.03  -0.11    -0.00  -0.00   0.01
   109   1     0.00  -0.04   0.10    -0.00   0.05  -0.14     0.00  -0.01   0.02
   110   1    -0.01   0.04  -0.09    -0.01   0.04  -0.08    -0.00   0.01  -0.02
   111   1    -0.01   0.01  -0.07    -0.01   0.01  -0.06    -0.00   0.00  -0.02
   112   1     0.01   0.01   0.07     0.01   0.01   0.07     0.00   0.00   0.02
   113   1     0.02  -0.02   0.11     0.02  -0.02   0.10     0.00  -0.00   0.02
   114   1     0.01  -0.00   0.05     0.01  -0.00   0.05     0.00  -0.00   0.01
   115   1    -0.01  -0.00   0.04    -0.02  -0.00   0.05    -0.01   0.00   0.01
   116   1    -0.00   0.00  -0.03    -0.00   0.00  -0.03     0.00   0.00  -0.01
   117   1    -0.03   0.00  -0.04    -0.04   0.00  -0.05    -0.01  -0.00  -0.01
   118   1    -0.02  -0.02   0.08    -0.00   0.00  -0.00     0.04   0.03  -0.10
   119   1    -0.00  -0.01   0.06     0.00   0.00  -0.00     0.00   0.01  -0.07
   120   1    -0.01   0.01  -0.06    -0.00  -0.00   0.00     0.02  -0.00   0.09
   121   1     0.01   0.02  -0.10    -0.00  -0.00   0.00    -0.01  -0.02   0.11
   122   1    -0.00   0.01  -0.03    -0.00  -0.00   0.00     0.00  -0.01   0.07
   123   1     0.01  -0.01  -0.03     0.00  -0.00  -0.00    -0.01   0.02   0.06
   124   1    -0.00   0.00   0.01    -0.00   0.00   0.00     0.00   0.00  -0.04
   125   1     0.01  -0.02   0.02     0.00  -0.00   0.00    -0.02   0.04  -0.06
   126  17     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
                    160                    161                    162
                      A                      A                      A
 Frequencies --    884.2449               895.4818               906.7990
 Red. masses --      1.9334                 5.4967                 1.4430
 Frc consts  --      0.8907                 2.5970                 0.6991
 IR Inten    --      0.3223                 3.8074                 9.8828
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.02  -0.07     0.12   0.15   0.02     0.00   0.00   0.05
     2   6    -0.00   0.02   0.13    -0.03   0.17  -0.03    -0.00   0.00  -0.12
     3   6    -0.01   0.01  -0.09    -0.04   0.08   0.01     0.00   0.01   0.02
     4   6    -0.01  -0.00   0.02    -0.10  -0.00   0.00     0.00   0.00   0.00
     5   6    -0.00  -0.00  -0.01    -0.08  -0.00  -0.01    -0.00  -0.00   0.01
     6   6     0.01  -0.02   0.01     0.08  -0.15  -0.01     0.00  -0.00   0.00
     7   6    -0.01  -0.01   0.08    -0.00  -0.11  -0.02    -0.00   0.00   0.02
     8   6    -0.01  -0.01  -0.01    -0.08  -0.06  -0.00    -0.01  -0.00   0.01
     9   6     0.01   0.00   0.00     0.04   0.03   0.00    -0.00   0.00  -0.00
    10   6     0.00  -0.00  -0.01     0.02  -0.03  -0.00     0.00   0.00   0.00
    11   6     0.00  -0.02  -0.14     0.02  -0.19   0.04     0.00  -0.00  -0.11
    12   6     0.02  -0.01   0.08     0.18  -0.07  -0.03     0.00   0.00   0.05
    13   6     0.00   0.02  -0.02    -0.01   0.21   0.01     0.00   0.00   0.00
    14   6    -0.00   0.00  -0.00    -0.07  -0.02   0.01     0.00  -0.00   0.01
    15   7     0.02   0.00   0.00     0.09   0.00  -0.00     0.00  -0.00  -0.00
    16   6     0.01  -0.00   0.00     0.05  -0.02   0.00     0.00  -0.00   0.00
    17   6     0.00   0.01   0.00     0.01   0.05   0.01    -0.00   0.00  -0.00
    18   7     0.01   0.00   0.00     0.05   0.01  -0.00     0.00   0.00  -0.00
    19   6    -0.00  -0.01  -0.00    -0.03  -0.03  -0.00     0.00  -0.00  -0.00
    20   6    -0.01  -0.01  -0.00    -0.06  -0.05  -0.00     0.00   0.00  -0.00
    21   6    -0.00   0.00   0.00    -0.00  -0.00   0.01    -0.00   0.00  -0.00
    22   6    -0.01   0.01  -0.00    -0.03   0.07  -0.02    -0.00  -0.00   0.00
    23   6    -0.02   0.02   0.03     0.06   0.02  -0.04     0.02  -0.01  -0.02
    24   6    -0.00  -0.04  -0.04     0.07   0.01   0.04    -0.01  -0.02  -0.02
    25   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    26   6     0.00   0.02   0.01    -0.02   0.05  -0.05     0.00   0.01   0.00
    27   6    -0.01   0.03   0.00    -0.05   0.08  -0.08    -0.00   0.01   0.00
    28   6     0.01  -0.02  -0.01     0.04  -0.01   0.01     0.01  -0.00   0.00
    29   6     0.00   0.01   0.02    -0.09  -0.07   0.05     0.01   0.01   0.01
    30   6    -0.00   0.01   0.01    -0.04  -0.04   0.02    -0.00   0.01  -0.00
    31   6     0.01  -0.01  -0.00     0.01  -0.05   0.05    -0.00   0.00   0.00
    32   6     0.01  -0.02  -0.00    -0.00  -0.09   0.07    -0.00   0.01   0.00
    33   6    -0.00   0.01   0.01     0.03   0.03  -0.01    -0.00  -0.00   0.00
    34   6     0.01  -0.01  -0.02    -0.11   0.02  -0.05    -0.02   0.00   0.01
    35   6     0.00  -0.01  -0.01    -0.05   0.02  -0.02    -0.00   0.01  -0.00
    36   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    37   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    38   6    -0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
    39   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
    40   6     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    41   7    -0.01   0.02   0.00     0.04   0.00  -0.00     0.02  -0.02  -0.00
    42   7    -0.00  -0.03  -0.00     0.04   0.02   0.00    -0.00  -0.03  -0.00
    43   7    -0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    44   6     0.00  -0.01  -0.00     0.00  -0.00  -0.00     0.00  -0.01  -0.00
    45   6    -0.01  -0.00  -0.00    -0.01  -0.00   0.00    -0.01   0.00  -0.00
    46   6     0.00  -0.00  -0.00    -0.01   0.01  -0.00     0.00  -0.00  -0.00
    47   6    -0.00  -0.00   0.00     0.01   0.01   0.01    -0.01  -0.00  -0.00
    48   6    -0.00   0.00  -0.00     0.01  -0.00  -0.00     0.01  -0.00  -0.00
    49   6     0.00   0.00   0.00    -0.01  -0.01   0.00    -0.00  -0.00  -0.00
    50   6    -0.01  -0.00  -0.00    -0.01  -0.00  -0.00     0.01   0.00  -0.00
    51   6    -0.00   0.01   0.00    -0.00   0.00   0.00     0.00  -0.01  -0.00
    52   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    53   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    54   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    55   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
    56   6     0.01  -0.01   0.01    -0.03   0.01   0.00     0.01  -0.01   0.00
    57   6    -0.00  -0.00   0.00     0.02   0.01   0.00    -0.00  -0.00   0.00
    58   6     0.00   0.02  -0.00    -0.00  -0.03  -0.01     0.00   0.01   0.00
    59   6    -0.00   0.01  -0.00    -0.01  -0.01  -0.00    -0.00   0.01   0.00
    60   6     0.00   0.01   0.00    -0.01  -0.00   0.00     0.00   0.01   0.00
    61   6     0.01   0.02   0.00     0.00  -0.00   0.01     0.01   0.02   0.00
    62   6     0.00  -0.01   0.00     0.01  -0.01  -0.00     0.00  -0.01  -0.00
    63   6    -0.02   0.00   0.00    -0.00   0.00  -0.01    -0.02   0.00   0.00
    64   6    -0.02  -0.01  -0.00    -0.00  -0.00   0.01     0.01   0.01   0.00
    65   6    -0.00   0.01   0.00     0.00   0.01   0.00     0.00  -0.01  -0.00
    66   6     0.02  -0.01  -0.00     0.00   0.00  -0.01    -0.02   0.01   0.00
    67   6     0.01  -0.01  -0.00    -0.01  -0.00  -0.00    -0.01   0.00   0.00
    68   6     0.00  -0.01   0.00    -0.01   0.00   0.00    -0.00   0.01   0.00
    69   6     0.01  -0.01   0.00    -0.01   0.02   0.01    -0.01   0.01   0.00
    70   6    -0.00   0.00  -0.00     0.02   0.00  -0.00     0.00  -0.00  -0.00
    71   6     0.01   0.01  -0.01    -0.02  -0.02  -0.00    -0.01  -0.01   0.00
    72   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    73   6    -0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    74   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    75   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    76   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    77   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    78   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    79   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    80   1     0.02   0.00  -0.01     0.14   0.02   0.00     0.00  -0.00   0.01
    81   1    -0.03  -0.01  -0.59    -0.05   0.07   0.09     0.02   0.00   0.70
    82   1     0.01   0.03   0.01    -0.01   0.27   0.05    -0.00  -0.00  -0.04
    83   1    -0.00  -0.02   0.05    -0.00  -0.18   0.05    -0.01  -0.01  -0.04
    84   1    -0.03  -0.01   0.64    -0.06  -0.09  -0.17    -0.01  -0.01   0.65
    85   1    -0.01   0.02   0.05    -0.10   0.19  -0.07     0.00   0.00  -0.01
    86   1     0.02  -0.02   0.05     0.10  -0.19  -0.07     0.01  -0.01  -0.03
    87   1    -0.01  -0.01   0.02    -0.04  -0.03   0.02    -0.00  -0.00   0.00
    88   1    -0.01  -0.00   0.02    -0.08  -0.03   0.02     0.00   0.00   0.01
    89   1    -0.02   0.01   0.01    -0.12   0.06   0.11    -0.01  -0.00  -0.01
    90   1    -0.01  -0.03  -0.06    -0.02   0.14   0.03     0.00   0.00   0.00
    91   1    -0.05  -0.08  -0.12    -0.14   0.18   0.10    -0.02  -0.04  -0.05
    92   1    -0.04  -0.12  -0.15    -0.15   0.07   0.13    -0.00  -0.06  -0.07
    93   1    -0.04  -0.06  -0.07    -0.03  -0.04   0.04    -0.02   0.01   0.01
    94   1    -0.01   0.01   0.04     0.05  -0.12  -0.02    -0.00  -0.00   0.00
    95   1    -0.06   0.02   0.08    -0.04  -0.21  -0.08     0.04  -0.03  -0.05
    96   1    -0.08   0.07   0.12    -0.08  -0.14  -0.13     0.03  -0.06  -0.08
    97   1    -0.05   0.03   0.06    -0.03   0.01  -0.05     0.02   0.02   0.00
    98   1    -0.00  -0.00  -0.01    -0.01  -0.01  -0.02     0.00   0.00  -0.00
    99   1     0.00  -0.01  -0.01    -0.00  -0.03  -0.03     0.00   0.00   0.00
   100   1     0.00   0.00   0.00     0.01   0.01   0.02     0.00   0.00   0.00
   101   1     0.00   0.00   0.00     0.00   0.01   0.01    -0.00  -0.00   0.00
   102   1     0.02   0.02  -0.04    -0.05  -0.02  -0.01     0.02   0.01  -0.01
   103   1     0.00   0.00  -0.03     0.02   0.01   0.00     0.00  -0.00  -0.00
   104   1     0.01   0.00   0.05    -0.02  -0.03  -0.02     0.01   0.01   0.02
   105   1    -0.01  -0.00   0.05    -0.00  -0.00   0.00    -0.00   0.01   0.01
   106   1     0.00  -0.00   0.03    -0.01   0.01  -0.04     0.00   0.01   0.00
   107   1    -0.01   0.02   0.03     0.01   0.01  -0.05    -0.01   0.02   0.02
   108   1     0.00  -0.01  -0.02     0.01  -0.01   0.02     0.00  -0.01  -0.00
   109   1    -0.02   0.03  -0.02    -0.01  -0.00   0.05    -0.02   0.02  -0.00
   110   1    -0.00  -0.03   0.01    -0.01  -0.01  -0.04     0.01   0.03  -0.01
   111   1    -0.00   0.01   0.01     0.00   0.01  -0.01     0.00  -0.01  -0.00
   112   1     0.00  -0.02  -0.02     0.01  -0.00   0.04    -0.01   0.02   0.02
   113   1     0.00   0.00  -0.01    -0.01  -0.01   0.03    -0.01   0.00   0.00
   114   1    -0.01  -0.00  -0.04    -0.00  -0.00   0.00    -0.00   0.01   0.01
   115   1     0.01   0.00  -0.04    -0.03   0.01   0.02    -0.02   0.00   0.03
   116   1     0.00  -0.00   0.02     0.02  -0.00  -0.00     0.00  -0.00  -0.00
   117   1     0.02  -0.00   0.04    -0.05  -0.01   0.01    -0.02  -0.00  -0.01
   118   1     0.00   0.00  -0.00     0.00   0.00  -0.01    -0.00  -0.00   0.00
   119   1     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
   120   1     0.00  -0.00   0.00     0.00  -0.00   0.01    -0.00  -0.00  -0.00
   121   1    -0.00  -0.00   0.00    -0.00  -0.00   0.01     0.00  -0.00  -0.00
   122   1     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
   123   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
   124   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
   125   1    -0.00   0.00   0.00    -0.00   0.00   0.01     0.00  -0.00   0.00
   126  17    -0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
                    163                    164                    165
                      A                      A                      A
 Frequencies --    910.5280               933.3034               933.3304
 Red. masses --      1.4866                 4.6674                 4.7016
 Frc consts  --      0.7261                 2.3953                 2.4131
 IR Inten    --      7.0194                 6.9214                 0.7212
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00     0.00   0.00  -0.01    -0.00  -0.00  -0.03
     2   6    -0.00  -0.00  -0.00    -0.02   0.00   0.00     0.01  -0.01   0.02
     3   6    -0.00  -0.00  -0.00    -0.01   0.00  -0.00    -0.00  -0.01  -0.01
     4   6     0.00   0.00   0.00     0.01   0.01   0.00    -0.00  -0.00  -0.00
     5   6     0.00  -0.00  -0.00     0.00  -0.00   0.00     0.01   0.00   0.01
     6   6    -0.00   0.00  -0.00     0.01  -0.02   0.00    -0.00   0.01   0.01
     7   6     0.00   0.00  -0.00     0.00   0.01   0.00    -0.00  -0.00   0.01
     8   6    -0.00   0.00   0.00    -0.01   0.00   0.00     0.01  -0.00   0.00
     9   6    -0.01   0.00  -0.01    -0.02   0.01  -0.00     0.01  -0.00  -0.00
    10   6     0.00   0.00  -0.00     0.02   0.01  -0.00    -0.01  -0.00   0.00
    11   6     0.00   0.01  -0.00     0.01   0.01  -0.01    -0.01   0.00  -0.02
    12   6    -0.01   0.00   0.00    -0.00  -0.00   0.02    -0.00   0.00   0.03
    13   6     0.00  -0.01  -0.00     0.00  -0.01  -0.00    -0.00   0.00  -0.01
    14   6     0.00  -0.00  -0.00     0.00  -0.00  -0.01     0.00   0.00  -0.01
    15   7    -0.01   0.00   0.01    -0.02  -0.00   0.00     0.01   0.00   0.00
    16   6    -0.00  -0.00  -0.02    -0.01  -0.01   0.00     0.00   0.01  -0.00
    17   6     0.01  -0.00   0.07     0.01  -0.00   0.01    -0.00   0.00  -0.01
    18   7     0.00  -0.00  -0.02     0.02   0.01  -0.00    -0.01  -0.00   0.00
    19   6     0.00   0.00   0.02     0.00  -0.01  -0.01    -0.00   0.01   0.00
    20   6     0.01   0.01   0.01     0.02   0.03  -0.01    -0.01  -0.01   0.00
    21   6    -0.00   0.00   0.06    -0.03   0.00   0.04     0.01  -0.00  -0.02
    22   6     0.01  -0.01  -0.16    -0.01  -0.03  -0.04     0.01   0.01   0.02
    23   6    -0.00  -0.00   0.00    -0.00   0.00   0.01    -0.01   0.01   0.04
    24   6    -0.00  -0.00  -0.00    -0.00  -0.01  -0.02    -0.00  -0.01  -0.03
    25   6    -0.00  -0.02  -0.03    -0.02  -0.01  -0.04     0.01   0.00   0.02
    26   6     0.00  -0.00   0.00    -0.01   0.01   0.02    -0.01   0.02   0.03
    27   6     0.00  -0.00   0.00    -0.01  -0.00   0.02    -0.01  -0.00   0.03
    28   6    -0.00   0.00   0.00    -0.01  -0.03  -0.05    -0.01  -0.04  -0.08
    29   6     0.00   0.00  -0.00     0.00  -0.00   0.02     0.01  -0.00   0.03
    30   6     0.00   0.00  -0.00     0.01   0.01   0.02     0.02   0.01   0.03
    31   6    -0.00   0.00  -0.00    -0.00  -0.01  -0.01    -0.00  -0.03  -0.04
    32   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.01    -0.01  -0.00  -0.03
    33   6    -0.00  -0.00   0.00    -0.01   0.01   0.02    -0.04   0.04   0.09
    34   6     0.00  -0.00   0.00     0.00   0.00  -0.01     0.01   0.01  -0.03
    35   6     0.00  -0.00   0.00     0.01  -0.00  -0.01     0.03  -0.00  -0.03
    36   6     0.00   0.00   0.00     0.03   0.02   0.04    -0.01  -0.01  -0.02
    37   6     0.01   0.01   0.00     0.02  -0.00   0.03    -0.01   0.00  -0.01
    38   6    -0.01   0.00   0.01    -0.03  -0.06  -0.12     0.01   0.02   0.05
    39   6    -0.00   0.01   0.00    -0.01  -0.01   0.05     0.00   0.01  -0.02
    40   6     0.01   0.01  -0.01    -0.01   0.03   0.04     0.00  -0.01  -0.02
    41   7     0.00  -0.00  -0.00     0.03  -0.03  -0.01     0.15  -0.15  -0.05
    42   7    -0.00  -0.00  -0.00     0.03   0.11   0.03     0.05   0.17   0.05
    43   7    -0.02  -0.03  -0.01     0.07   0.26   0.07    -0.03  -0.10  -0.03
    44   6    -0.00   0.00   0.00    -0.02   0.04   0.01    -0.03   0.07   0.02
    45   6     0.00   0.00  -0.00     0.01  -0.00  -0.00     0.02  -0.01  -0.00
    46   6     0.00  -0.00   0.00    -0.01   0.00  -0.00    -0.02   0.01  -0.00
    47   6    -0.00  -0.00  -0.00     0.04   0.03   0.01     0.06   0.04   0.02
    48   6     0.00  -0.00  -0.00     0.02  -0.00  -0.00     0.09  -0.01  -0.02
    49   6    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.02  -0.02   0.00
    50   6     0.00   0.00  -0.00     0.00   0.00   0.00     0.02   0.02   0.00
    51   6     0.00  -0.00  -0.00     0.00  -0.02  -0.00     0.01  -0.09  -0.02
    52   6     0.00  -0.01  -0.00    -0.05   0.11   0.03     0.02  -0.04  -0.01
    53   6    -0.00   0.00  -0.00     0.03  -0.01  -0.00    -0.01   0.00   0.00
    54   6     0.01  -0.00  -0.00    -0.03   0.01  -0.00     0.01  -0.00   0.00
    55   6    -0.01  -0.01  -0.00     0.09   0.06   0.03    -0.04  -0.02  -0.01
    56   6     0.00  -0.00  -0.00    -0.06   0.02   0.01    -0.09   0.04   0.02
    57   6    -0.00  -0.00  -0.00     0.01   0.01  -0.00     0.02   0.02  -0.00
    58   6     0.00   0.00   0.00    -0.01  -0.07  -0.03    -0.01  -0.11  -0.04
    59   6     0.00   0.00   0.00     0.00  -0.03  -0.00     0.00  -0.05  -0.00
    60   6     0.00   0.00   0.00    -0.02  -0.02  -0.00    -0.03  -0.04  -0.00
    61   6    -0.00   0.00  -0.00    -0.03  -0.06  -0.03    -0.04  -0.10  -0.04
    62   6    -0.00   0.00   0.00    -0.01   0.02   0.00    -0.01   0.03   0.00
    63   6     0.00  -0.00   0.00     0.06  -0.01   0.01     0.10  -0.01   0.02
    64   6     0.00   0.00  -0.00     0.02   0.01  -0.00     0.09   0.07  -0.02
    65   6    -0.00  -0.00  -0.00     0.00  -0.01  -0.00     0.01  -0.04   0.00
    66   6    -0.00   0.00   0.00    -0.02   0.02   0.01    -0.10   0.08   0.05
    67   6    -0.00   0.00   0.00    -0.01   0.00   0.00    -0.05   0.02   0.00
    68   6     0.00   0.00   0.00    -0.01   0.01  -0.00    -0.02   0.05   0.00
    69   6    -0.00   0.00  -0.00    -0.02   0.02   0.01    -0.08   0.10   0.05
    70   6    -0.00  -0.00   0.00     0.01  -0.00   0.00     0.04  -0.01   0.00
    71   6    -0.00  -0.00   0.00    -0.02  -0.02  -0.01    -0.07  -0.09  -0.02
    72   6     0.02  -0.01   0.00    -0.13   0.06   0.02     0.05  -0.02  -0.01
    73   6    -0.01  -0.00  -0.00     0.03   0.03   0.00    -0.01  -0.01  -0.00
    74   6     0.00   0.03   0.00    -0.03  -0.16  -0.06     0.01   0.06   0.02
    75   6     0.00   0.01   0.00     0.01  -0.07  -0.01    -0.00   0.03   0.00
    76   6     0.01   0.01   0.00    -0.04  -0.06  -0.00     0.02   0.02   0.00
    77   6     0.01   0.02   0.00    -0.07  -0.15  -0.06     0.03   0.06   0.03
    78   6     0.00  -0.00  -0.00    -0.02   0.05  -0.00     0.01  -0.02   0.00
    79   6    -0.02   0.00   0.00     0.15  -0.02   0.03    -0.06   0.01  -0.01
    80   1    -0.01   0.00  -0.01    -0.01  -0.00  -0.03     0.00   0.00  -0.00
    81   1    -0.00  -0.00   0.01    -0.02  -0.01  -0.01     0.01   0.01  -0.10
    82   1     0.00  -0.01   0.00     0.00  -0.00  -0.01     0.00  -0.00  -0.06
    83   1     0.00   0.00   0.01    -0.00  -0.02  -0.00    -0.01   0.01  -0.04
    84   1     0.01   0.00   0.01     0.02  -0.00   0.06    -0.01  -0.00   0.07
    85   1     0.01  -0.01   0.01     0.00  -0.01   0.02    -0.01  -0.00   0.03
    86   1    -0.00   0.00   0.01     0.00  -0.00   0.04     0.00   0.01   0.06
    87   1    -0.01   0.00  -0.12    -0.04  -0.02   0.06     0.02   0.01  -0.02
    88   1     0.01   0.01  -0.06     0.04   0.01   0.04    -0.02  -0.01  -0.02
    89   1     0.01  -0.01   0.96    -0.04  -0.03   0.24     0.02   0.01  -0.10
    90   1     0.00  -0.00   0.00    -0.05  -0.07  -0.11    -0.08  -0.11  -0.18
    91   1     0.00  -0.01  -0.00    -0.02  -0.03  -0.02    -0.03  -0.05  -0.03
    92   1     0.00  -0.00  -0.00     0.00  -0.03  -0.01     0.01  -0.06  -0.03
    93   1     0.00   0.00   0.00     0.01  -0.08  -0.11     0.01  -0.13  -0.17
    94   1    -0.00   0.00  -0.00    -0.04   0.02   0.05    -0.15   0.08   0.21
    95   1     0.00   0.00  -0.00    -0.01   0.00   0.00    -0.05   0.03   0.02
    96   1     0.00   0.00   0.00    -0.01   0.01   0.01    -0.03   0.06   0.03
    97   1     0.00   0.00   0.00    -0.02   0.03   0.05    -0.07   0.15   0.21
    98   1    -0.00   0.01   0.01     0.02  -0.20  -0.27    -0.01   0.08   0.11
    99   1    -0.00  -0.06  -0.07     0.03  -0.09  -0.03    -0.01   0.04   0.01
   100   1    -0.03  -0.05  -0.08    -0.03  -0.08  -0.03     0.01   0.03   0.01
   101   1     0.03   0.00   0.02    -0.11  -0.17  -0.26     0.04   0.07   0.10
   102   1     0.00   0.00   0.00    -0.07   0.00  -0.06    -0.12   0.01  -0.11
   103   1    -0.00  -0.00  -0.00     0.00   0.01   0.03     0.01   0.02   0.06
   104   1     0.00   0.00   0.00    -0.06  -0.08   0.01    -0.11  -0.13   0.02
   105   1     0.00   0.00   0.00     0.00  -0.03  -0.05     0.00  -0.05  -0.08
   106   1     0.00   0.00   0.00    -0.02  -0.03  -0.04    -0.03  -0.05  -0.07
   107   1    -0.00  -0.00   0.00     0.02  -0.10   0.01     0.03  -0.16   0.01
   108   1    -0.00   0.00  -0.00     0.00   0.01   0.03     0.01   0.02   0.05
   109   1     0.00  -0.00  -0.00     0.07  -0.04  -0.05     0.11  -0.06  -0.08
   110   1     0.00   0.00   0.00     0.02   0.03   0.02     0.08   0.12   0.10
   111   1    -0.00  -0.00  -0.00     0.01  -0.00  -0.01     0.02  -0.02  -0.06
   112   1    -0.00   0.00   0.00    -0.01   0.04   0.00    -0.07   0.18  -0.02
   113   1    -0.00   0.00   0.00    -0.01   0.01   0.02    -0.06   0.03   0.09
   114   1    -0.00   0.00   0.00    -0.01   0.01   0.02    -0.03   0.06   0.09
   115   1    -0.00  -0.00   0.00    -0.04   0.02  -0.01    -0.18   0.07  -0.02
   116   1    -0.00  -0.00   0.00     0.00  -0.00  -0.02     0.02  -0.02  -0.06
   117   1    -0.00  -0.00  -0.00    -0.03  -0.02   0.03    -0.12  -0.07   0.11
   118   1     0.03   0.01  -0.01    -0.18   0.01  -0.10     0.07  -0.00   0.04
   119   1    -0.01  -0.01  -0.00     0.01   0.04   0.06    -0.00  -0.01  -0.02
   120   1     0.02   0.02   0.02    -0.16  -0.17   0.00     0.06   0.07  -0.00
   121   1     0.00   0.01   0.00    -0.00  -0.09  -0.09     0.00   0.04   0.04
   122   1     0.01   0.01   0.01    -0.04  -0.07  -0.12     0.02   0.03   0.05
   123   1    -0.01   0.02   0.03     0.03  -0.25   0.03    -0.01   0.10  -0.01
   124   1    -0.00  -0.00  -0.00     0.01   0.03   0.08    -0.00  -0.01  -0.03
   125   1    -0.01   0.02  -0.01     0.16  -0.10  -0.14    -0.07   0.04   0.06
   126  17     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
                    166                    167                    168
                      A                      A                      A
 Frequencies --    933.5807               935.7976               935.8620
 Red. masses --      4.4260                 1.3714                 1.3664
 Frc consts  --      2.2728                 0.7076                 0.7051
 IR Inten    --      5.6237                 0.6310                 0.2650
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.03     0.00   0.00   0.00     0.00  -0.00   0.00
     2   6    -0.00   0.00  -0.03    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     3   6     0.00   0.01   0.01    -0.00   0.00  -0.00    -0.00   0.00   0.00
     4   6     0.00   0.00   0.01     0.00   0.00   0.00     0.00   0.00  -0.00
     5   6    -0.00  -0.00  -0.01    -0.00  -0.00  -0.00    -0.00   0.00   0.00
     6   6    -0.00  -0.00  -0.01     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     7   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
     8   6    -0.00  -0.00   0.01    -0.00   0.00   0.00    -0.00   0.00  -0.00
     9   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
    10   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00   0.00
    11   6    -0.00   0.00  -0.03     0.00   0.00  -0.00     0.00   0.00   0.00
    12   6     0.00   0.00   0.03    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    13   6     0.00   0.00  -0.01     0.00  -0.00  -0.00     0.00  -0.00   0.00
    14   6     0.00  -0.00  -0.01     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    15   7    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    16   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    17   6    -0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    18   7     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    19   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    20   6     0.00   0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    21   6    -0.01   0.00  -0.01    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    22   6    -0.00  -0.00   0.01    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    23   6     0.01  -0.01  -0.03     0.00   0.00  -0.00     0.00   0.00  -0.00
    24   6    -0.00  -0.01  -0.04    -0.00  -0.00  -0.01     0.00   0.00   0.00
    25   6    -0.00   0.00   0.01    -0.00   0.00   0.00    -0.00   0.00   0.00
    26   6    -0.01   0.02   0.03    -0.00  -0.00   0.00     0.00   0.00   0.00
    27   6    -0.01  -0.00   0.03    -0.00   0.00   0.00     0.00  -0.00  -0.00
    28   6    -0.01  -0.05  -0.09     0.00  -0.00  -0.01    -0.00   0.00   0.00
    29   6     0.01  -0.01   0.03    -0.00  -0.00  -0.00     0.00   0.00   0.00
    30   6     0.02   0.01   0.03     0.00   0.01   0.01    -0.00  -0.00  -0.00
    31   6     0.00   0.02   0.03     0.00  -0.00  -0.00     0.00  -0.00  -0.01
    32   6     0.01   0.00   0.03    -0.00   0.00   0.00    -0.00   0.00   0.00
    33   6     0.03  -0.04  -0.09     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    34   6    -0.01  -0.01   0.03     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    35   6    -0.02   0.00   0.03    -0.00   0.00   0.00    -0.00   0.01   0.01
    36   6    -0.00  -0.00  -0.01     0.00   0.00  -0.00     0.00   0.00  -0.00
    37   6     0.00   0.00  -0.01     0.00   0.00  -0.00     0.00   0.00  -0.00
    38   6     0.00   0.01   0.02    -0.00   0.00   0.00    -0.00   0.00   0.00
    39   6     0.00  -0.00  -0.01     0.00  -0.00   0.00     0.00  -0.00   0.00
    40   6     0.00  -0.01  -0.01     0.00  -0.00   0.00     0.00  -0.00  -0.00
    41   7    -0.14   0.14   0.05    -0.00   0.00   0.00    -0.00  -0.00  -0.00
    42   7     0.06   0.19   0.05     0.01   0.01  -0.00    -0.00  -0.01   0.00
    43   7    -0.02  -0.05  -0.01    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    44   6    -0.03   0.08   0.02    -0.00   0.00   0.00     0.00  -0.00  -0.00
    45   6     0.02  -0.01  -0.00     0.00   0.01  -0.02    -0.00  -0.00   0.01
    46   6    -0.02   0.01  -0.01    -0.00  -0.01   0.03     0.00   0.00  -0.01
    47   6     0.07   0.05   0.02     0.00  -0.00   0.02    -0.00   0.00  -0.01
    48   6    -0.08   0.01   0.02    -0.00  -0.00   0.00    -0.00  -0.00   0.01
    49   6     0.02   0.02  -0.00     0.00  -0.00   0.01     0.01  -0.00   0.03
    50   6    -0.01  -0.02  -0.00    -0.00   0.00  -0.01    -0.00   0.01  -0.03
    51   6    -0.01   0.08   0.02    -0.00   0.00  -0.00    -0.00   0.00  -0.01
    52   6     0.01  -0.02  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    53   6    -0.01   0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    54   6     0.01  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    55   6    -0.02  -0.01  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    56   6    -0.10   0.04   0.03    -0.00   0.03  -0.10     0.00  -0.01   0.04
    57   6     0.03   0.02  -0.00     0.00  -0.01   0.06    -0.00   0.00  -0.02
    58   6    -0.01  -0.12  -0.05    -0.00  -0.03   0.06     0.00   0.01  -0.03
    59   6     0.00  -0.06   0.00     0.00   0.02  -0.07    -0.00  -0.01   0.03
    60   6    -0.03  -0.04  -0.00    -0.01  -0.01   0.02     0.00   0.00  -0.01
    61   6    -0.05  -0.11  -0.05    -0.00  -0.00  -0.02     0.00   0.00   0.01
    62   6    -0.01   0.03  -0.00     0.00   0.01  -0.02    -0.00  -0.00   0.01
    63   6     0.11  -0.01   0.02     0.00  -0.01   0.03    -0.00   0.00  -0.01
    64   6    -0.08  -0.06   0.02     0.00  -0.01   0.03     0.01  -0.01   0.07
    65   6    -0.01   0.03  -0.00    -0.00   0.00  -0.02    -0.01   0.00  -0.04
    66   6     0.09  -0.07  -0.05    -0.00   0.00  -0.02    -0.01   0.01  -0.04
    67   6     0.05  -0.02  -0.00     0.01  -0.00   0.02     0.01  -0.01   0.05
    68   6     0.02  -0.05   0.00    -0.00   0.00  -0.02    -0.01   0.01  -0.06
    69   6     0.07  -0.10  -0.05     0.01  -0.01   0.02     0.01  -0.01   0.05
    70   6    -0.03   0.01  -0.00     0.00  -0.00   0.02     0.01  -0.01   0.04
    71   6     0.07   0.09   0.02    -0.00   0.01  -0.03    -0.01   0.02  -0.08
    72   6     0.02  -0.01  -0.01     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    73   6    -0.01  -0.01   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    74   6     0.00   0.03   0.01     0.00   0.00   0.00     0.00   0.00   0.00
    75   6    -0.00   0.01   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    76   6     0.01   0.01  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    77   6     0.01   0.03   0.01     0.00   0.00   0.00     0.00   0.00   0.00
    78   6     0.00  -0.01   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    79   6    -0.03   0.00  -0.01    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    80   1     0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    81   1     0.00  -0.01   0.18    -0.00  -0.00   0.01    -0.00  -0.00   0.00
    82   1    -0.00  -0.01   0.05    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    83   1     0.00  -0.00   0.03    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    84   1     0.00  -0.01   0.18     0.00  -0.00   0.02     0.00   0.00  -0.01
    85   1    -0.01  -0.00   0.04     0.00  -0.00   0.00     0.00  -0.00  -0.00
    86   1     0.01  -0.01   0.06     0.00  -0.00   0.01    -0.00   0.00  -0.00
    87   1    -0.00  -0.01  -0.01    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    88   1     0.00   0.00  -0.01     0.00   0.00  -0.00     0.00   0.00  -0.00
    89   1    -0.00  -0.00  -0.04    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    90   1    -0.09  -0.12  -0.20    -0.00   0.00   0.00     0.00  -0.00  -0.00
    91   1    -0.04  -0.07  -0.04    -0.00  -0.01  -0.00     0.00   0.00   0.00
    92   1     0.00  -0.07  -0.03     0.01   0.01   0.01    -0.00  -0.00  -0.00
    93   1     0.01  -0.15  -0.19    -0.01  -0.06  -0.08     0.01   0.02   0.03
    94   1     0.14  -0.07  -0.19    -0.01   0.01   0.01    -0.02   0.02   0.04
    95   1     0.06  -0.03  -0.02     0.00  -0.00  -0.00     0.00  -0.01  -0.01
    96   1     0.03  -0.06  -0.03    -0.00   0.00   0.00    -0.01   0.00   0.01
    97   1     0.07  -0.14  -0.19     0.01  -0.01  -0.02     0.03  -0.03  -0.05
    98   1     0.00   0.04   0.05     0.00   0.00   0.00     0.00   0.00   0.00
    99   1     0.01   0.02   0.01     0.00   0.00   0.00     0.00   0.00   0.00
   100   1     0.01   0.01   0.01     0.00   0.00   0.00     0.00   0.00   0.00
   101   1     0.02   0.03   0.05     0.00  -0.00   0.00     0.00  -0.00   0.00
   102   1    -0.14   0.02  -0.15    -0.07  -0.16   0.54     0.03   0.06  -0.22
   103   1     0.01   0.02   0.08     0.03   0.09  -0.31    -0.01  -0.04   0.13
   104   1    -0.12  -0.15   0.05     0.03   0.10  -0.38    -0.01  -0.04   0.15
   105   1     0.00  -0.05  -0.12    -0.04  -0.14   0.40     0.02   0.06  -0.16
   106   1    -0.03  -0.05  -0.08     0.01   0.03  -0.10    -0.00  -0.01   0.04
   107   1     0.03  -0.18   0.02    -0.00  -0.04   0.08     0.00   0.01  -0.03
   108   1     0.01   0.02   0.06    -0.01  -0.02   0.10     0.00   0.01  -0.04
   109   1     0.12  -0.06  -0.10     0.02   0.04  -0.16    -0.01  -0.02   0.06
   110   1    -0.07  -0.11  -0.10    -0.03   0.03  -0.15    -0.08   0.07  -0.37
   111   1    -0.02   0.02   0.06     0.02  -0.02   0.09     0.04  -0.04   0.22
   112   1     0.06  -0.17   0.03     0.02  -0.02   0.10     0.05  -0.05   0.25
   113   1     0.05  -0.03  -0.09    -0.02   0.02  -0.11    -0.06   0.06  -0.27
   114   1     0.02  -0.05  -0.10     0.03  -0.03   0.13     0.08  -0.07   0.31
   115   1     0.17  -0.07   0.04    -0.02   0.02  -0.12    -0.06   0.06  -0.30
   116   1    -0.01   0.01   0.07    -0.02   0.02  -0.10    -0.06   0.05  -0.25
   117   1     0.11   0.07  -0.13     0.04  -0.03   0.18     0.10  -0.08   0.43
   118   1     0.03  -0.00   0.03     0.00  -0.00   0.01     0.00  -0.00   0.01
   119   1    -0.00  -0.01  -0.02     0.00   0.00  -0.01     0.00   0.00  -0.00
   120   1     0.03   0.03  -0.01     0.00   0.00  -0.01     0.00   0.00  -0.00
   121   1     0.00   0.01   0.02    -0.00  -0.00   0.01    -0.00  -0.00   0.00
   122   1     0.01   0.01   0.02     0.00  -0.00   0.00     0.00  -0.00   0.00
   123   1    -0.01   0.05  -0.01    -0.00   0.00  -0.00    -0.00   0.00  -0.00
   124   1    -0.00  -0.01  -0.02    -0.00   0.00  -0.00    -0.00   0.00  -0.00
   125   1    -0.03   0.02   0.03    -0.00  -0.00   0.01    -0.00  -0.00   0.00
   126  17    -0.00   0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
                    169                    170                    171
                      A                      A                      A
 Frequencies --    936.3731               936.5437               937.2239
 Red. masses --      1.3662                 1.3618                 1.3895
 Frc consts  --      0.7058                 0.7038                 0.7191
 IR Inten    --      0.5088                 1.2071                 1.8768
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00     0.00   0.00   0.01     0.00   0.00  -0.00
     2   6     0.00  -0.00   0.00    -0.00   0.00  -0.01    -0.01   0.00   0.00
     3   6     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
     4   6    -0.00  -0.00   0.00     0.00   0.00   0.00     0.01   0.01   0.00
     5   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     6   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.01   0.00
     7   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     8   6    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.01   0.00   0.00
     9   6    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.01   0.00  -0.00
    10   6    -0.00   0.00  -0.00     0.00   0.00  -0.00     0.01   0.01  -0.00
    11   6     0.00   0.00  -0.00     0.00  -0.00  -0.00     0.01   0.00   0.00
    12   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    13   6     0.00  -0.00   0.00     0.00   0.00   0.00     0.00  -0.01   0.00
    14   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
    15   7    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.01  -0.00   0.00
    16   6     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.01   0.00
    17   6     0.00  -0.00   0.00     0.00   0.00  -0.00     0.01   0.00   0.00
    18   7    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.01   0.01  -0.00
    19   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.01  -0.00
    20   6    -0.00   0.00  -0.00     0.00   0.00  -0.00     0.02   0.02  -0.00
    21   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.02   0.00   0.01
    22   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.01  -0.02  -0.00
    23   6    -0.00  -0.00   0.00     0.01  -0.00  -0.01     0.00   0.00   0.00
    24   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
    25   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.01  -0.00  -0.00
    26   6     0.00  -0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    27   6     0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    28   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    29   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    30   6     0.00  -0.00   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    31   6     0.00   0.00  -0.00    -0.01   0.01   0.01    -0.00  -0.00  -0.00
    32   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    33   6    -0.00  -0.00   0.00     0.00  -0.01  -0.01     0.00   0.00   0.00
    34   6     0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    35   6     0.00   0.00  -0.00    -0.01   0.00   0.01     0.00  -0.00  -0.00
    36   6     0.00  -0.00  -0.00     0.00   0.00  -0.00     0.01   0.01   0.01
    37   6    -0.00   0.00   0.00     0.00   0.00  -0.00     0.01   0.00  -0.01
    38   6    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.01  -0.00  -0.00
    39   6    -0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.01   0.00
    40   6     0.00   0.01   0.01     0.00  -0.00   0.00     0.00   0.00   0.01
    41   7    -0.00  -0.00   0.00    -0.02   0.02  -0.00     0.00  -0.00  -0.00
    42   7    -0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    43   7    -0.00   0.01  -0.00    -0.00  -0.00  -0.00    -0.00   0.01  -0.01
    44   6    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    45   6     0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    46   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
    47   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    48   6    -0.00   0.00  -0.00    -0.01  -0.00   0.02     0.00   0.00  -0.00
    49   6     0.00   0.00  -0.00     0.00   0.00   0.01    -0.00  -0.00  -0.00
    50   6     0.00   0.00  -0.00     0.00  -0.00   0.01    -0.00  -0.00   0.00
    51   6    -0.00  -0.00  -0.00     0.00   0.01   0.02     0.00  -0.00  -0.00
    52   6    -0.00   0.00   0.02    -0.00  -0.00   0.00    -0.00   0.00   0.02
    53   6    -0.00  -0.01   0.03     0.00   0.00   0.00     0.00   0.00  -0.00
    54   6     0.00   0.01  -0.03     0.00  -0.00   0.00    -0.00  -0.00   0.02
    55   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00   0.02
    56   6     0.00  -0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    57   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
    58   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    59   6     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    60   6     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.01
    61   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.01
    62   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.01
    63   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.01
    64   6     0.00  -0.00   0.00    -0.03   0.01  -0.08     0.00   0.00  -0.00
    65   6    -0.00   0.00  -0.00     0.01  -0.00   0.05     0.00   0.00   0.00
    66   6    -0.00   0.00  -0.00     0.02  -0.02   0.05    -0.00   0.00  -0.00
    67   6     0.00  -0.00   0.00    -0.01   0.01  -0.07    -0.00  -0.00   0.00
    68   6     0.00  -0.00   0.00    -0.01   0.01  -0.06    -0.00  -0.00   0.00
    69   6    -0.00   0.00  -0.00     0.02  -0.02   0.05    -0.00   0.00  -0.00
    70   6    -0.00   0.00  -0.00     0.00  -0.01   0.04     0.00   0.00  -0.00
    71   6     0.00  -0.00   0.00    -0.01   0.02  -0.06    -0.00  -0.00   0.00
    72   6    -0.01  -0.01   0.05     0.00   0.00  -0.00     0.01   0.02  -0.09
    73   6     0.00   0.01  -0.03    -0.00  -0.00   0.00    -0.00  -0.01   0.06
    74   6     0.00   0.00  -0.03     0.00   0.00   0.00    -0.00  -0.02   0.07
    75   6    -0.00  -0.01   0.03     0.00   0.00  -0.00     0.01   0.02  -0.08
    76   6     0.01   0.02  -0.07     0.00   0.00  -0.00     0.00   0.01  -0.04
    77   6    -0.01  -0.02   0.06    -0.00  -0.00   0.00    -0.01  -0.02   0.03
    78   6    -0.01  -0.01   0.06    -0.00  -0.00   0.00    -0.00  -0.00   0.02
    79   6     0.02   0.02  -0.10     0.00   0.00  -0.00     0.01   0.01  -0.04
    80   1    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    81   1     0.00   0.00   0.00    -0.00  -0.00   0.03    -0.02  -0.01  -0.01
    82   1     0.00  -0.00  -0.00    -0.00  -0.00   0.02     0.00   0.00   0.00
    83   1    -0.00   0.00   0.00     0.00  -0.00   0.01     0.00  -0.01   0.00
    84   1     0.00   0.00   0.00     0.00  -0.00   0.01     0.01   0.00  -0.00
    85   1     0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.01  -0.00
    86   1    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
    87   1    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.03  -0.02   0.01
    88   1    -0.00   0.00   0.00     0.00   0.00   0.00     0.03   0.01   0.01
    89   1    -0.00  -0.00   0.02    -0.00  -0.00  -0.00    -0.02  -0.02   0.02
    90   1     0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.01
    91   1     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    92   1     0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    93   1     0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
    94   1    -0.00   0.00   0.00     0.04  -0.04  -0.07    -0.00  -0.00   0.00
    95   1     0.00   0.00  -0.00     0.00   0.01   0.01    -0.00  -0.00  -0.00
    96   1     0.00   0.00  -0.00    -0.01  -0.00   0.01    -0.00   0.00   0.00
    97   1    -0.00   0.00   0.00     0.03  -0.04  -0.06    -0.00   0.00   0.00
    98   1     0.01   0.01   0.02     0.00   0.00  -0.00    -0.00  -0.05  -0.07
    99   1    -0.00  -0.01  -0.01     0.00   0.00   0.00     0.03   0.01   0.02
   100   1    -0.00   0.01   0.01     0.00   0.00   0.00     0.01   0.00   0.02
   101   1    -0.02  -0.06  -0.08     0.00  -0.00  -0.00    -0.01  -0.04  -0.04
   102   1     0.00   0.00  -0.00    -0.00   0.00  -0.01     0.00  -0.00   0.00
   103   1    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
   104   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
   105   1     0.00  -0.00  -0.00     0.00   0.00  -0.01    -0.00  -0.00   0.00
   106   1     0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.01   0.04
   107   1    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.01  -0.03
   108   1    -0.00  -0.00   0.00     0.00   0.00   0.00     0.00   0.01  -0.03
   109   1     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.01   0.05
   110   1    -0.00   0.00  -0.00     0.09  -0.10   0.45     0.00  -0.00  -0.00
   111   1     0.00  -0.00   0.00    -0.06   0.05  -0.26     0.00   0.00   0.00
   112   1     0.00  -0.00   0.00    -0.07   0.05  -0.34     0.00   0.00   0.00
   113   1    -0.00   0.00  -0.00     0.09  -0.08   0.35    -0.00   0.00  -0.00
   114   1    -0.00   0.00  -0.00     0.08  -0.07   0.30    -0.00   0.00  -0.01
   115   1     0.00  -0.00   0.00    -0.05   0.05  -0.29     0.00  -0.00   0.01
   116   1     0.00  -0.00   0.00    -0.05   0.04  -0.21     0.00  -0.00   0.01
   117   1    -0.00   0.00  -0.00     0.10  -0.06   0.38    -0.01   0.00  -0.02
   118   1     0.02   0.07  -0.27     0.00  -0.00   0.01    -0.06  -0.14   0.54
   119   1    -0.02  -0.04   0.16     0.00   0.00  -0.01     0.03   0.09  -0.32
   120   1    -0.02  -0.05   0.16     0.00   0.00  -0.01     0.03   0.10  -0.39
   121   1     0.02   0.05  -0.18    -0.00  -0.00   0.01    -0.04  -0.13   0.41
   122   1    -0.04  -0.13   0.41    -0.00  -0.00   0.01    -0.02  -0.07   0.20
   123   1     0.04   0.10  -0.38     0.00   0.00  -0.01     0.02   0.04  -0.19
   124   1     0.03   0.09  -0.32     0.00   0.00  -0.00     0.01   0.04  -0.14
   125   1    -0.04  -0.16   0.55    -0.00  -0.00   0.01    -0.01  -0.07   0.24
   126  17     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00   0.00
                    172                    173                    174
                      A                      A                      A
 Frequencies --    937.3988               940.3315               954.4299
 Red. masses --      1.3590                 5.4606                 6.0311
 Frc consts  --      0.7036                 2.8448                 3.2370
 IR Inten    --      0.8174                21.3165                 1.4030
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00    -0.03  -0.01   0.00    -0.01  -0.01  -0.00
     2   6     0.00  -0.00  -0.00     0.13  -0.03  -0.01     0.01  -0.00   0.01
     3   6    -0.00   0.00  -0.00     0.04  -0.03   0.00    -0.00   0.00  -0.00
     4   6     0.00   0.00   0.00    -0.05  -0.06   0.00    -0.01  -0.01   0.00
     5   6     0.00  -0.00  -0.00     0.02   0.01   0.00     0.00  -0.00  -0.01
     6   6    -0.00   0.00   0.00    -0.04   0.12  -0.00    -0.00   0.01   0.00
     7   6    -0.00   0.00   0.00    -0.01  -0.03   0.00     0.00   0.01  -0.00
     8   6     0.00  -0.00   0.00     0.06  -0.01   0.00     0.01  -0.00   0.00
     9   6    -0.00  -0.00  -0.00     0.09  -0.02  -0.00     0.01  -0.01  -0.00
    10   6     0.00   0.00  -0.00    -0.14  -0.07   0.00    -0.01  -0.01  -0.00
    11   6    -0.00   0.00  -0.00    -0.07  -0.04  -0.01    -0.01  -0.00   0.01
    12   6    -0.00   0.00   0.01    -0.01   0.01   0.00     0.01  -0.00  -0.00
    13   6     0.00  -0.00  -0.00    -0.01   0.06  -0.00    -0.00   0.01   0.00
    14   6     0.00  -0.00  -0.00    -0.00   0.01   0.00    -0.00  -0.00  -0.01
    15   7    -0.00   0.00   0.00     0.09   0.01   0.00    -0.00   0.01   0.00
    16   6    -0.00  -0.00  -0.00     0.03   0.08  -0.00    -0.00   0.00   0.00
    17   6    -0.00  -0.00  -0.00    -0.04  -0.01   0.01     0.00   0.00  -0.00
    18   7     0.00   0.00   0.00    -0.13  -0.08   0.00    -0.00   0.01   0.00
    19   6     0.00  -0.00   0.00    -0.04   0.12  -0.01    -0.00  -0.01  -0.00
    20   6     0.00   0.00   0.00    -0.17  -0.20   0.01     0.00   0.01   0.00
    21   6    -0.00   0.00  -0.00     0.23  -0.03   0.02    -0.01   0.00  -0.00
    22   6    -0.00  -0.00   0.00     0.12   0.17  -0.02     0.00  -0.01   0.01
    23   6    -0.00  -0.00  -0.00    -0.01  -0.01  -0.00    -0.01  -0.01   0.00
    24   6    -0.00  -0.01  -0.01    -0.01  -0.00  -0.01     0.01  -0.00   0.00
    25   6    -0.00   0.00   0.00     0.11  -0.05  -0.03    -0.01   0.00  -0.00
    26   6     0.00   0.01   0.01    -0.00  -0.01   0.01    -0.12  -0.10   0.07
    27   6    -0.00  -0.00  -0.00     0.00  -0.01   0.01    -0.03  -0.03   0.04
    28   6    -0.00  -0.01  -0.01     0.01  -0.00  -0.01     0.14  -0.04   0.01
    29   6     0.00  -0.00   0.00     0.01   0.01   0.00    -0.01   0.04  -0.05
    30   6     0.00   0.00   0.01    -0.00   0.01  -0.00    -0.05   0.15  -0.07
    31   6     0.00   0.00   0.00     0.01   0.00   0.01     0.13  -0.02   0.06
    32   6     0.00   0.00  -0.00     0.00   0.01  -0.01     0.03  -0.01   0.04
    33   6    -0.00  -0.00  -0.00    -0.01  -0.01  -0.01    -0.08  -0.08   0.00
    34   6     0.00  -0.00   0.00     0.01   0.00   0.01    -0.01   0.03  -0.04
    35   6    -0.00   0.00   0.00     0.00   0.01  -0.00    -0.02   0.12  -0.06
    36   6    -0.00  -0.00  -0.00    -0.04  -0.00   0.03     0.03  -0.09   0.04
    37   6     0.00   0.00  -0.00    -0.10  -0.05   0.08     0.00  -0.02   0.03
    38   6    -0.00   0.00   0.00     0.05  -0.03  -0.03    -0.08   0.02  -0.00
    39   6     0.00  -0.00   0.00    -0.05   0.11  -0.04     0.02   0.02  -0.03
    40   6     0.00  -0.00  -0.00    -0.04   0.02  -0.00     0.07   0.06  -0.04
    41   7    -0.00   0.00   0.00    -0.02  -0.01   0.00    -0.13  -0.13   0.00
    42   7     0.00   0.02  -0.00     0.01   0.01   0.00     0.21  -0.06   0.00
    43   7    -0.00  -0.00   0.00     0.07   0.03   0.01    -0.12   0.04  -0.00
    44   6    -0.00   0.00   0.02    -0.00   0.00   0.00     0.05  -0.07  -0.01
    45   6     0.00  -0.01   0.02    -0.00  -0.00  -0.00    -0.04  -0.00  -0.01
    46   6    -0.00   0.00  -0.01    -0.00   0.00   0.00    -0.03   0.02   0.00
    47   6     0.00   0.00   0.01     0.01   0.00   0.00     0.08   0.03   0.01
    48   6    -0.00   0.00   0.00    -0.01  -0.00   0.00    -0.07  -0.01   0.01
    49   6     0.00   0.00  -0.00     0.00   0.00   0.00     0.01   0.03   0.00
    50   6     0.00  -0.00   0.00     0.00   0.00  -0.00     0.03   0.01  -0.00
    51   6    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.01  -0.07  -0.01
    52   6     0.00  -0.00  -0.00     0.00  -0.00   0.01    -0.03   0.04   0.00
    53   6    -0.00  -0.00   0.00    -0.01  -0.00  -0.00     0.02   0.00   0.00
    54   6     0.00   0.00  -0.00    -0.02   0.01   0.01     0.02  -0.02  -0.00
    55   6    -0.00  -0.00  -0.00     0.04   0.02   0.02    -0.05  -0.02  -0.01
    56   6    -0.01   0.01  -0.02    -0.01   0.01  -0.00    -0.11   0.04   0.01
    57   6     0.00  -0.00   0.01     0.00   0.00   0.00     0.06   0.02   0.00
    58   6    -0.00  -0.02   0.02    -0.00  -0.01   0.00     0.00  -0.09  -0.02
    59   6     0.00   0.00  -0.02    -0.00  -0.00  -0.00    -0.06   0.02   0.01
    60   6     0.01   0.02  -0.08    -0.00  -0.00  -0.00    -0.06   0.01  -0.01
    61   6    -0.01  -0.03   0.07    -0.00  -0.00   0.00     0.05   0.08   0.02
    62   6    -0.01  -0.01   0.06     0.00  -0.00   0.00     0.04  -0.05  -0.01
    63   6     0.02   0.03  -0.10     0.00   0.00  -0.00    -0.12   0.02  -0.01
    64   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.08   0.06  -0.01
    65   6    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.01  -0.05  -0.00
    66   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.06   0.04   0.02
    67   6     0.00   0.00  -0.00     0.01   0.00   0.00     0.04   0.03  -0.01
    68   6     0.00  -0.00  -0.00     0.00   0.00  -0.01     0.03   0.04   0.00
    69   6     0.00  -0.00  -0.00     0.01  -0.01  -0.00     0.03  -0.06  -0.02
    70   6    -0.00  -0.00   0.00    -0.01  -0.00   0.01    -0.05  -0.01   0.00
    71   6     0.00   0.00  -0.00     0.01   0.02  -0.01     0.06   0.08   0.01
    72   6     0.00  -0.00   0.01    -0.05   0.03  -0.03     0.07  -0.03  -0.00
    73   6    -0.00   0.00  -0.00     0.02   0.00   0.03    -0.04  -0.01  -0.00
    74   6     0.00   0.00  -0.01    -0.01  -0.06   0.01     0.00   0.05   0.01
    75   6    -0.00  -0.00   0.01    -0.01   0.00  -0.03     0.03  -0.01  -0.00
    76   6     0.00  -0.00   0.00    -0.02  -0.00  -0.02     0.04  -0.01   0.00
    77   6     0.00   0.00  -0.00     0.00  -0.01   0.01    -0.03  -0.04  -0.01
    78   6     0.00   0.00  -0.00     0.01  -0.01   0.01    -0.02   0.03   0.00
    79   6    -0.00  -0.00   0.00    -0.01   0.01  -0.01     0.07  -0.01   0.01
    80   1    -0.00   0.00  -0.00     0.04   0.01  -0.01    -0.00   0.02  -0.02
    81   1     0.00  -0.00   0.01     0.16   0.07   0.05     0.01   0.01  -0.06
    82   1     0.00  -0.00  -0.00     0.00  -0.02  -0.02     0.01   0.01   0.03
    83   1    -0.00   0.00   0.00    -0.02   0.13  -0.00     0.01   0.01   0.00
    84   1     0.00   0.00   0.02    -0.11  -0.00   0.05    -0.01   0.00  -0.06
    85   1    -0.00  -0.00   0.01    -0.01   0.06  -0.00    -0.01   0.01  -0.00
    86   1     0.00  -0.00   0.01    -0.00   0.01  -0.01    -0.01   0.00   0.05
    87   1    -0.00  -0.00  -0.00     0.23   0.19   0.04    -0.00  -0.01   0.03
    88   1     0.00   0.00  -0.00    -0.23  -0.15   0.01    -0.00   0.01  -0.00
    89   1    -0.00  -0.00  -0.00     0.19   0.18   0.10     0.02  -0.01  -0.03
    90   1    -0.02  -0.06  -0.08    -0.01  -0.02  -0.01    -0.17   0.02   0.14
    91   1    -0.00   0.00   0.01     0.01  -0.01   0.00    -0.07  -0.09  -0.00
    92   1     0.00  -0.00   0.01     0.00  -0.02  -0.04    -0.01   0.16   0.05
    93   1    -0.00  -0.03  -0.04    -0.01   0.00  -0.01    -0.16   0.04  -0.18
    94   1     0.00   0.00  -0.00     0.02   0.01  -0.01     0.10   0.10   0.12
    95   1     0.00   0.00  -0.00     0.01   0.02   0.01     0.10  -0.04  -0.01
    96   1     0.00  -0.00  -0.00     0.04  -0.01  -0.04    -0.05   0.11   0.03
    97   1     0.00  -0.00  -0.00     0.02   0.01  -0.01     0.10   0.09  -0.14
    98   1     0.00   0.01   0.01    -0.11  -0.10  -0.06     0.09  -0.03   0.09
    99   1     0.00  -0.00  -0.00    -0.21  -0.05  -0.04     0.01  -0.08  -0.01
   100   1     0.00  -0.00  -0.00    -0.18  -0.00  -0.14     0.05   0.06   0.01
   101   1     0.00   0.00   0.00    -0.06   0.05  -0.02     0.10  -0.03  -0.09
   102   1    -0.02  -0.04   0.14    -0.02  -0.01   0.03    -0.18  -0.06  -0.07
   103   1     0.01   0.02  -0.07     0.01   0.01  -0.02     0.07  -0.02   0.05
   104   1     0.00   0.03  -0.13    -0.01  -0.01  -0.02    -0.01  -0.08  -0.04
   105   1    -0.01  -0.05   0.12    -0.00  -0.01   0.02    -0.04   0.04  -0.01
   106   1    -0.05  -0.15   0.43    -0.01  -0.01   0.01    -0.06  -0.01   0.01
   107   1     0.04   0.10  -0.40     0.00  -0.00  -0.01     0.03   0.08   0.04
   108   1     0.03   0.10  -0.35     0.00   0.00  -0.01     0.07  -0.02  -0.03
   109   1    -0.04  -0.17   0.58    -0.00  -0.00   0.02    -0.13   0.15   0.05
   110   1     0.00  -0.00   0.00    -0.00   0.01  -0.01     0.03   0.16   0.05
   111   1    -0.00   0.00  -0.00    -0.00  -0.01   0.01    -0.04  -0.05  -0.03
   112   1    -0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.05   0.04   0.03
   113   1     0.00  -0.00   0.00     0.01   0.00  -0.01     0.04   0.02   0.00
   114   1     0.00  -0.00   0.00     0.01  -0.01   0.03     0.01   0.05  -0.01
   115   1     0.00  -0.00  -0.00     0.01  -0.00  -0.03     0.04  -0.05  -0.03
   116   1    -0.00   0.00  -0.00    -0.01   0.00  -0.03    -0.04  -0.04   0.04
   117   1     0.00   0.00   0.00     0.04  -0.00   0.04     0.15   0.03  -0.06
   118   1     0.01   0.01  -0.05    -0.11  -0.08   0.19     0.11   0.03   0.04
   119   1    -0.00  -0.01   0.03     0.04   0.04  -0.13    -0.04   0.01  -0.02
   120   1    -0.00  -0.01   0.03    -0.02  -0.02  -0.14     0.01   0.05   0.02
   121   1     0.00   0.01  -0.03    -0.03  -0.07   0.16     0.03  -0.02   0.01
   122   1     0.00   0.01  -0.02    -0.03  -0.04   0.06     0.03   0.01  -0.01
   123   1    -0.00  -0.00   0.02     0.02   0.00  -0.06    -0.02  -0.05  -0.02
   124   1    -0.00  -0.00   0.01     0.02   0.01  -0.05    -0.04   0.01   0.02
   125   1     0.00   0.01  -0.02    -0.01   0.00   0.08     0.07  -0.09  -0.04
   126  17    -0.00   0.00   0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
                    175                    176                    177
                      A                      A                      A
 Frequencies --    954.5887               954.9332               972.6758
 Red. masses --      6.0702                 6.0169                 1.2777
 Frc consts  --      3.2590                 3.2327                 0.7122
 IR Inten    --     11.4834                 3.6117                 1.2089
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     2   6    -0.00  -0.01  -0.00    -0.03   0.01   0.01    -0.00   0.00  -0.00
     3   6     0.00  -0.00   0.00    -0.01   0.01  -0.00    -0.00   0.00  -0.00
     4   6     0.01   0.00  -0.00     0.01   0.01   0.00     0.00   0.00   0.00
     5   6     0.00   0.00   0.01     0.00  -0.01  -0.00     0.00  -0.00   0.00
     6   6    -0.00   0.00  -0.00     0.01  -0.02   0.00    -0.00  -0.00  -0.00
     7   6     0.00   0.01  -0.00     0.00   0.01  -0.00    -0.00   0.00   0.00
     8   6     0.00   0.00   0.00    -0.01   0.00   0.00    -0.01   0.00   0.00
     9   6    -0.00  -0.00  -0.00    -0.02   0.01  -0.00    -0.00   0.00  -0.00
    10   6     0.00   0.01   0.00     0.02   0.02  -0.00     0.00   0.00  -0.00
    11   6    -0.00   0.01   0.00     0.01   0.01   0.00     0.00   0.00  -0.00
    12   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.01
    13   6    -0.00  -0.01   0.00     0.00  -0.01  -0.00     0.00  -0.00  -0.00
    14   6     0.00  -0.00  -0.01     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    15   7    -0.01  -0.00   0.00    -0.02  -0.00   0.00     0.00  -0.00   0.00
    16   6    -0.00  -0.00  -0.00    -0.00  -0.01  -0.00     0.00   0.00   0.00
    17   6    -0.00  -0.00   0.00     0.01  -0.00   0.00    -0.00  -0.00   0.00
    18   7    -0.00   0.00  -0.00     0.02   0.01  -0.00     0.00  -0.01   0.00
    19   6     0.00   0.00   0.00     0.01  -0.01   0.01    -0.00   0.00  -0.00
    20   6     0.01   0.01   0.00     0.03   0.04  -0.00    -0.00  -0.01   0.00
    21   6     0.00  -0.00   0.00    -0.03  -0.00   0.00     0.00  -0.00   0.00
    22   6    -0.00  -0.01  -0.00    -0.02  -0.03  -0.01    -0.00   0.01  -0.00
    23   6     0.01   0.01   0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
    24   6     0.01  -0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.01  -0.01
    25   6     0.00  -0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    26   6    -0.12  -0.10   0.07    -0.03  -0.02   0.01     0.01   0.00  -0.01
    27   6    -0.02  -0.04   0.05    -0.01  -0.01   0.01     0.00   0.00   0.00
    28   6     0.14  -0.04   0.00     0.03  -0.01   0.00    -0.01   0.01   0.01
    29   6    -0.00   0.04  -0.05    -0.00   0.01  -0.01    -0.01  -0.03  -0.04
    30   6    -0.05   0.15  -0.07    -0.01   0.03  -0.01     0.01   0.03   0.05
    31   6    -0.15   0.03  -0.07     0.10  -0.02   0.04     0.00  -0.00  -0.01
    32   6    -0.04   0.02  -0.05     0.02  -0.01   0.03    -0.00   0.00   0.00
    33   6     0.10   0.10  -0.00    -0.06  -0.06   0.00     0.00   0.00   0.00
    34   6     0.02  -0.03   0.05    -0.01   0.02  -0.03     0.00  -0.00  -0.00
    35   6     0.03  -0.15   0.07    -0.02   0.10  -0.04    -0.00   0.00   0.01
    36   6    -0.02   0.05  -0.02    -0.06   0.19  -0.09    -0.00  -0.00  -0.00
    37   6    -0.00   0.01  -0.02     0.01   0.06  -0.07    -0.00  -0.00   0.00
    38   6     0.04  -0.01   0.00     0.17  -0.05   0.00     0.00   0.00   0.00
    39   6    -0.01  -0.01   0.02    -0.03  -0.05   0.07    -0.00   0.00  -0.00
    40   6    -0.04  -0.03   0.02    -0.15  -0.12   0.09     0.00   0.00   0.00
    41   7     0.15   0.15  -0.00    -0.09  -0.10   0.00     0.00   0.00  -0.00
    42   7     0.21  -0.06   0.00     0.05  -0.01  -0.00    -0.01  -0.00  -0.01
    43   7     0.06  -0.02   0.00     0.26  -0.08   0.00    -0.00  -0.00  -0.00
    44   6     0.05  -0.07  -0.01     0.01  -0.02  -0.00    -0.00   0.00  -0.00
    45   6    -0.04  -0.00  -0.01    -0.01  -0.00  -0.00     0.00   0.00   0.00
    46   6    -0.03   0.02   0.00    -0.01   0.01   0.00     0.00  -0.00   0.00
    47   6     0.07   0.03   0.01     0.02   0.01   0.00    -0.01  -0.00  -0.01
    48   6     0.08   0.01  -0.01    -0.05  -0.01   0.01     0.00   0.00  -0.00
    49   6    -0.02  -0.04  -0.00     0.01   0.02   0.00    -0.00  -0.00   0.00
    50   6    -0.04  -0.02   0.01     0.02   0.01  -0.00    -0.00  -0.00  -0.00
    51   6     0.01   0.08   0.01    -0.01  -0.05  -0.01     0.00   0.00   0.00
    52   6     0.02  -0.02  -0.00     0.06  -0.09  -0.01     0.00  -0.00  -0.00
    53   6    -0.01  -0.00  -0.00    -0.05  -0.00  -0.01    -0.00  -0.00   0.00
    54   6    -0.01   0.01   0.00    -0.04   0.03   0.01     0.00   0.00   0.00
    55   6     0.02   0.01   0.00     0.10   0.04   0.01    -0.00  -0.00   0.00
    56   6    -0.11   0.04   0.01    -0.02   0.01   0.00     0.01  -0.02   0.05
    57   6     0.06   0.02   0.00     0.01   0.01   0.00     0.00   0.02  -0.07
    58   6     0.00  -0.08  -0.02     0.00  -0.02  -0.00    -0.00  -0.01   0.08
    59   6    -0.06   0.02   0.01    -0.01   0.01   0.00     0.00   0.01  -0.04
    60   6    -0.06   0.01  -0.01    -0.01   0.00  -0.00     0.00  -0.00   0.01
    61   6     0.04   0.08   0.02     0.01   0.02   0.01     0.00   0.01  -0.02
    62   6     0.04  -0.05  -0.01     0.01  -0.01  -0.00    -0.00  -0.00   0.02
    63   6    -0.12   0.02  -0.01    -0.03   0.00  -0.00     0.00   0.00  -0.01
    64   6    -0.09  -0.07   0.01     0.06   0.05  -0.01    -0.00   0.00  -0.00
    65   6     0.01   0.07   0.00    -0.01  -0.04  -0.00     0.00  -0.00   0.01
    66   6     0.08  -0.04  -0.02    -0.05   0.03   0.01    -0.00   0.00  -0.01
    67   6    -0.05  -0.04   0.01     0.03   0.02  -0.00     0.00  -0.00   0.00
    68   6    -0.04  -0.05  -0.01     0.02   0.03   0.00    -0.00   0.00  -0.00
    69   6    -0.04   0.08   0.02     0.03  -0.05  -0.01     0.00  -0.00   0.01
    70   6     0.06   0.01  -0.01    -0.04  -0.01   0.00    -0.00   0.00  -0.01
    71   6    -0.07  -0.09  -0.01     0.05   0.06   0.00     0.00  -0.00   0.01
    72   6    -0.03   0.02   0.00    -0.14   0.06   0.01     0.00   0.00  -0.00
    73   6     0.02   0.01   0.00     0.08   0.03   0.00    -0.00  -0.00   0.00
    74   6    -0.00  -0.03  -0.01    -0.00  -0.11  -0.03     0.00   0.00  -0.00
    75   6    -0.02   0.01   0.00    -0.07   0.03   0.01    -0.00  -0.00   0.00
    76   6    -0.02   0.00  -0.00    -0.07   0.01  -0.01     0.00   0.00  -0.00
    77   6     0.01   0.02   0.01     0.06   0.09   0.03    -0.00  -0.00   0.00
    78   6     0.01  -0.02  -0.00     0.05  -0.06  -0.00     0.00   0.00  -0.00
    79   6    -0.04   0.01  -0.00    -0.15   0.03  -0.01    -0.00  -0.00   0.00
    80   1    -0.01  -0.00  -0.01    -0.01  -0.01   0.01     0.00  -0.01  -0.00
    81   1    -0.00  -0.01   0.03    -0.03  -0.01  -0.04    -0.00  -0.00   0.01
    82   1    -0.00  -0.02  -0.04     0.00   0.00   0.03     0.00  -0.01  -0.00
    83   1    -0.00   0.00  -0.00     0.01  -0.03   0.00    -0.00  -0.00   0.00
    84   1     0.00   0.01  -0.03     0.02   0.00  -0.03     0.01  -0.00   0.03
    85   1    -0.00  -0.01   0.00     0.00  -0.02   0.00     0.00  -0.00   0.00
    86   1    -0.01   0.01   0.05     0.00  -0.01   0.01     0.00  -0.00   0.00
    87   1    -0.00  -0.00  -0.02    -0.04  -0.03  -0.06     0.00   0.01   0.00
    88   1     0.01   0.01  -0.00     0.04   0.03  -0.00    -0.00  -0.01   0.00
    89   1    -0.00  -0.01   0.02    -0.05  -0.03   0.08    -0.00   0.01  -0.00
    90   1    -0.16   0.02   0.14    -0.04   0.01   0.04     0.02   0.01   0.01
    91   1    -0.07  -0.10  -0.01    -0.02  -0.02  -0.00     0.00   0.01   0.00
    92   1    -0.00   0.15   0.04    -0.00   0.05   0.02     0.05   0.19   0.25
    93   1    -0.15   0.04  -0.17    -0.04   0.00  -0.05    -0.04  -0.22  -0.26
    94   1    -0.13  -0.11  -0.16     0.08   0.07   0.10    -0.02   0.01   0.02
    95   1    -0.12   0.07   0.02     0.08  -0.04  -0.02     0.01  -0.01  -0.02
    96   1     0.07  -0.13  -0.03    -0.05   0.09   0.03    -0.02   0.02   0.03
    97   1    -0.11  -0.12   0.16     0.07   0.07  -0.11     0.02  -0.02  -0.03
    98   1    -0.05   0.02  -0.05    -0.18   0.08  -0.21    -0.00   0.00   0.00
    99   1    -0.00   0.04   0.01     0.02   0.18   0.03    -0.00  -0.00  -0.00
   100   1    -0.03  -0.04  -0.01    -0.08  -0.15  -0.02     0.00   0.01   0.01
   101   1    -0.05   0.01   0.05    -0.20   0.04   0.20    -0.00  -0.01  -0.01
   102   1    -0.17  -0.05  -0.07    -0.04  -0.01  -0.02     0.05   0.09  -0.32
   103   1     0.07  -0.02   0.05     0.02  -0.01   0.01    -0.04  -0.13   0.48
   104   1    -0.01  -0.08  -0.04    -0.00  -0.02  -0.01     0.05   0.15  -0.48
   105   1    -0.04   0.04  -0.01    -0.01   0.01  -0.00    -0.02  -0.08   0.27
   106   1    -0.06  -0.01   0.01    -0.01  -0.00   0.00     0.01   0.03  -0.08
   107   1     0.03   0.08   0.04     0.01   0.02   0.01    -0.01  -0.03   0.12
   108   1     0.07  -0.02  -0.03     0.02  -0.01  -0.01     0.00   0.03  -0.10
   109   1    -0.13   0.14   0.06    -0.03   0.03   0.01    -0.00  -0.02   0.05
   110   1    -0.04  -0.19  -0.06     0.03   0.12   0.04     0.01  -0.01   0.03
   111   1     0.05   0.06   0.04    -0.03  -0.03  -0.02    -0.01   0.01  -0.05
   112   1     0.07  -0.05  -0.04    -0.04   0.03   0.03     0.01  -0.01   0.05
   113   1    -0.06  -0.02  -0.01     0.03   0.01   0.00    -0.01   0.01  -0.03
   114   1    -0.02  -0.06   0.01     0.01   0.04  -0.01     0.01  -0.01   0.04
   115   1    -0.05   0.07   0.04     0.03  -0.04  -0.03    -0.01   0.01  -0.06
   116   1     0.05   0.05  -0.04    -0.03  -0.03   0.03     0.01  -0.01   0.06
   117   1    -0.18  -0.04   0.07     0.11   0.02  -0.04    -0.01   0.01  -0.04
   118   1    -0.06  -0.02  -0.02    -0.23  -0.06  -0.08     0.00  -0.00   0.00
   119   1     0.02  -0.01   0.01     0.09  -0.03   0.06     0.00   0.00  -0.01
   120   1    -0.00  -0.03  -0.01    -0.02  -0.10  -0.05    -0.00  -0.00   0.01
   121   1    -0.01   0.01  -0.00    -0.05   0.05  -0.02     0.00   0.00  -0.00
   122   1    -0.02  -0.00   0.00    -0.07  -0.01   0.01    -0.00  -0.00   0.01
   123   1     0.01   0.02   0.01     0.04   0.09   0.05     0.00   0.01  -0.02
   124   1     0.02  -0.01  -0.01     0.09  -0.03  -0.05    -0.00  -0.00   0.02
   125   1    -0.04   0.04   0.02    -0.15   0.18   0.08     0.00   0.00  -0.01
   126  17     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
                    178                    179                    180
                      A                      A                      A
 Frequencies --    973.0770               973.4215               973.7724
 Red. masses --      1.2731                 1.2733                 1.2730
 Frc consts  --      0.7103                 0.7108                 0.7112
 IR Inten    --      1.7009                 1.1583                 0.0876
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00   0.01
     2   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.01
     3   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     4   6     0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
     5   6     0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.01
     6   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
     7   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     8   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
     9   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00   0.00   0.00
    10   6     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    11   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    12   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    13   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    14   6    -0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    15   7     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    16   6     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    17   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    18   7    -0.00  -0.00   0.00    -0.00   0.01   0.00    -0.00   0.00   0.00
    19   6     0.00   0.00  -0.00     0.00  -0.01  -0.00    -0.00   0.00   0.00
    20   6    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    21   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
    22   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    23   6     0.00   0.00   0.00     0.00  -0.00  -0.00     0.01  -0.01  -0.01
    24   6     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
    25   6     0.00  -0.00  -0.00    -0.00   0.01   0.01     0.00   0.00   0.00
    26   6    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    27   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    28   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    29   6     0.00   0.00   0.01    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    30   6    -0.00  -0.00  -0.01     0.00   0.00   0.00    -0.00  -0.00  -0.00
    31   6     0.01  -0.02  -0.04    -0.00  -0.00  -0.00    -0.02   0.02   0.03
    32   6    -0.02   0.02   0.03    -0.00   0.00   0.00     0.02  -0.02  -0.04
    33   6     0.01   0.01  -0.00     0.00   0.00   0.00    -0.01   0.01   0.02
    34   6     0.01  -0.01  -0.02     0.00  -0.00  -0.00     0.02  -0.02  -0.04
    35   6    -0.01   0.00   0.03    -0.00   0.00   0.00    -0.02   0.02   0.04
    36   6    -0.00  -0.00  -0.00     0.01  -0.00   0.02    -0.00  -0.00  -0.00
    37   6    -0.00  -0.00   0.00     0.00  -0.01  -0.01    -0.00   0.00   0.00
    38   6     0.00   0.00   0.00    -0.01  -0.00  -0.01     0.00  -0.00  -0.00
    39   6    -0.00   0.00  -0.00     0.01   0.03   0.04    -0.00   0.00   0.00
    40   6     0.00   0.00   0.00    -0.00  -0.03  -0.04    -0.00  -0.00  -0.00
    41   7     0.01   0.01   0.00     0.00   0.00  -0.00     0.01  -0.01  -0.01
    42   7     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    43   7     0.00  -0.00  -0.00    -0.01   0.01   0.00     0.00   0.00   0.00
    44   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    45   6    -0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    46   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    47   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    48   6     0.00   0.00  -0.01     0.00   0.00  -0.00     0.01   0.00  -0.01
    49   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.01
    50   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.01
    51   6     0.00   0.01   0.01     0.00   0.00   0.00    -0.00  -0.01  -0.01
    52   6     0.00  -0.00  -0.00    -0.01   0.01   0.01    -0.00   0.00   0.00
    53   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
    54   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
    55   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    56   6    -0.00   0.00  -0.01     0.00  -0.00   0.00    -0.00   0.00  -0.00
    57   6    -0.00  -0.00   0.01    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    58   6     0.00   0.00  -0.01    -0.00  -0.00   0.00     0.00   0.00  -0.00
    59   6    -0.00  -0.00   0.01     0.00   0.00  -0.00    -0.00  -0.00   0.00
    60   6    -0.00   0.00  -0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
    61   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    62   6     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
    63   6    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    64   6    -0.01   0.00  -0.03    -0.00   0.00  -0.00     0.01  -0.00   0.03
    65   6     0.01  -0.01   0.06     0.00  -0.00   0.00    -0.01   0.01  -0.05
    66   6    -0.01   0.01  -0.06    -0.00   0.00  -0.00     0.00  -0.00   0.04
    67   6     0.00  -0.01   0.03     0.00  -0.00   0.00    -0.01   0.00  -0.02
    68   6    -0.01   0.00  -0.03    -0.00   0.00  -0.00    -0.01   0.01  -0.02
    69   6     0.01  -0.01   0.05     0.00  -0.00   0.00     0.00  -0.00   0.06
    70   6    -0.01   0.01  -0.05    -0.00   0.00  -0.00    -0.01   0.01  -0.06
    71   6     0.00  -0.01   0.03     0.00  -0.00   0.00     0.00  -0.01   0.04
    72   6     0.00   0.00  -0.00     0.00  -0.01   0.02    -0.00   0.00  -0.00
    73   6    -0.00  -0.00   0.00    -0.00   0.01  -0.03    -0.00  -0.00   0.00
    74   6     0.00   0.00  -0.00    -0.00  -0.01   0.03     0.00   0.00  -0.00
    75   6    -0.00  -0.00   0.00     0.00   0.00  -0.02    -0.00  -0.00   0.00
    76   6     0.00   0.00  -0.00    -0.00  -0.01   0.04    -0.00   0.00  -0.00
    77   6    -0.00  -0.00   0.00     0.00   0.01  -0.08    -0.00  -0.00   0.00
    78   6     0.00   0.00  -0.00    -0.01  -0.02   0.07     0.00   0.00  -0.00
    79   6    -0.00  -0.00   0.00     0.01   0.01  -0.04     0.00  -0.00   0.00
    80   1    -0.00  -0.01   0.00    -0.00   0.01  -0.00     0.00   0.00   0.00
    81   1    -0.00  -0.00   0.01     0.00  -0.00   0.00    -0.00  -0.01   0.03
    82   1     0.00  -0.00  -0.02     0.00   0.00  -0.00    -0.00  -0.01   0.04
    83   1    -0.00  -0.01   0.01     0.00   0.00   0.00     0.00   0.00  -0.00
    84   1     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.01
    85   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    86   1     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    87   1     0.00   0.01   0.00    -0.00  -0.01   0.00     0.00   0.00  -0.00
    88   1    -0.00  -0.01   0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    89   1    -0.00   0.00   0.00     0.01  -0.00  -0.02     0.00   0.00   0.00
    90   1    -0.00   0.00   0.00    -0.00  -0.00  -0.01    -0.00   0.00  -0.00
    91   1    -0.00  -0.00  -0.00     0.00   0.01   0.01    -0.00   0.00  -0.00
    92   1    -0.01  -0.03  -0.03     0.00   0.00   0.01    -0.00  -0.00  -0.01
    93   1     0.01   0.03   0.04    -0.00  -0.01  -0.01     0.00   0.01   0.01
    94   1    -0.11   0.10   0.17    -0.00   0.00   0.01     0.12  -0.13  -0.22
    95   1     0.09  -0.09  -0.16     0.00  -0.00  -0.00    -0.13   0.13   0.22
    96   1    -0.06   0.06   0.11    -0.00   0.00   0.01    -0.13   0.13   0.22
    97   1     0.07  -0.09  -0.13     0.01  -0.01  -0.01     0.13  -0.14  -0.23
    98   1    -0.00   0.00   0.00    -0.00  -0.05  -0.05     0.00   0.01   0.01
    99   1    -0.00  -0.00   0.00     0.01   0.03   0.04    -0.00  -0.01  -0.01
   100   1     0.00   0.01   0.01    -0.04  -0.16  -0.21    -0.00  -0.00  -0.00
   101   1    -0.00  -0.01  -0.01     0.07   0.18   0.23    -0.00   0.00   0.00
   102   1    -0.01  -0.01   0.05     0.00   0.00  -0.01    -0.00  -0.00   0.01
   103   1     0.01   0.02  -0.08    -0.00  -0.00   0.02     0.00   0.01  -0.02
   104   1    -0.01  -0.02   0.08     0.00   0.01  -0.02    -0.00  -0.01   0.02
   105   1     0.00   0.01  -0.05    -0.00  -0.00   0.01     0.00   0.00  -0.01
   106   1    -0.00  -0.00   0.01     0.00   0.00   0.00    -0.00  -0.00   0.00
   107   1     0.00   0.00  -0.02    -0.00   0.00  -0.00     0.00   0.00  -0.01
   108   1    -0.00  -0.00   0.01    -0.00  -0.00   0.00    -0.00  -0.00   0.01
   109   1     0.00   0.00  -0.01     0.00   0.00  -0.00     0.00   0.00  -0.00
   110   1     0.05  -0.06   0.25     0.00  -0.00   0.01    -0.04   0.05  -0.21
   111   1    -0.08   0.07  -0.38    -0.00   0.00  -0.02     0.07  -0.06   0.29
   112   1     0.09  -0.08   0.40     0.01  -0.00   0.02    -0.07   0.07  -0.28
   113   1    -0.06   0.04  -0.23    -0.00   0.00  -0.01     0.02  -0.02   0.15
   114   1     0.04  -0.05   0.21     0.00  -0.00   0.02     0.03  -0.03   0.19
   115   1    -0.08   0.07  -0.35    -0.01   0.01  -0.03    -0.09   0.07  -0.35
   116   1     0.07  -0.06   0.33     0.01  -0.00   0.03     0.08  -0.07   0.36
   117   1    -0.06   0.04  -0.21    -0.00   0.00  -0.02    -0.07   0.04  -0.25
   118   1    -0.00  -0.00   0.00     0.02   0.03  -0.11    -0.00  -0.00   0.01
   119   1     0.00   0.00  -0.01    -0.02  -0.05   0.19     0.00   0.00  -0.01
   120   1    -0.00  -0.00   0.01     0.02   0.06  -0.21    -0.00  -0.00   0.01
   121   1     0.00   0.00  -0.01    -0.01  -0.04   0.13     0.00   0.00  -0.01
   122   1    -0.00  -0.00   0.01     0.03   0.07  -0.28    -0.00  -0.00   0.00
   123   1     0.00   0.01  -0.02    -0.05  -0.14   0.48     0.00   0.00  -0.00
   124   1    -0.00  -0.01   0.02     0.04   0.13  -0.48    -0.00  -0.00   0.00
   125   1     0.00   0.00  -0.02    -0.02  -0.09   0.31     0.00   0.00  -0.00
   126  17     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
                    181                    182                    183
                      A                      A                      A
 Frequencies --    974.3817               974.8624               978.9335
 Red. masses --      1.2784                 1.2659                 1.3220
 Frc consts  --      0.7151                 0.7088                 0.7465
 IR Inten    --      0.7103                 0.5708                 1.9559
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     2   6    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.01   0.00  -0.00
     3   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     4   6     0.00   0.00   0.00     0.00   0.00  -0.00     0.01   0.01   0.00
     5   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     6   6     0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.01  -0.00
     7   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     8   6    -0.00   0.00   0.00    -0.00   0.00  -0.00    -0.02   0.00   0.00
     9   6    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.01   0.01  -0.00
    10   6    -0.00   0.00  -0.00     0.00   0.00   0.00     0.01   0.02  -0.00
    11   6     0.00   0.00   0.00     0.00  -0.00   0.00     0.01   0.01  -0.01
    12   6    -0.00   0.00  -0.00     0.00   0.00  -0.01    -0.00   0.00   0.01
    13   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.01  -0.00
    14   6     0.00  -0.00  -0.00    -0.00   0.00   0.01     0.00  -0.00  -0.00
    15   7     0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.01   0.00
    16   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.01  -0.00   0.00
    17   6     0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    18   7    -0.00  -0.01   0.00     0.00  -0.00   0.00     0.00  -0.02   0.00
    19   6    -0.00   0.01  -0.01     0.00   0.00   0.00     0.00   0.01  -0.00
    20   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.01  -0.01   0.00
    21   6     0.01  -0.00   0.01     0.00  -0.00  -0.00     0.01  -0.00   0.00
    22   6     0.00   0.01  -0.01    -0.00   0.00   0.00    -0.00   0.02  -0.00
    23   6     0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    24   6    -0.00   0.00   0.00     0.00   0.01   0.01    -0.00  -0.01  -0.01
    25   6     0.00  -0.01  -0.01     0.00   0.00   0.00     0.01  -0.00  -0.00
    26   6    -0.00  -0.00  -0.00    -0.01  -0.03  -0.04     0.01   0.00  -0.00
    27   6     0.00   0.00   0.00     0.01   0.03   0.04     0.00  -0.00  -0.00
    28   6    -0.00  -0.00  -0.00    -0.00  -0.01  -0.01    -0.00   0.01   0.02
    29   6     0.00   0.00   0.00     0.00   0.01   0.02    -0.01  -0.05  -0.07
    30   6    -0.00  -0.00  -0.00    -0.00  -0.02  -0.02     0.02   0.05   0.07
    31   6    -0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.01
    32   6     0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00   0.01
    33   6    -0.00   0.00   0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
    34   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.01  -0.01  -0.01
    35   6    -0.00   0.00   0.00    -0.00   0.00  -0.00    -0.01   0.01   0.01
    36   6     0.01   0.03   0.05    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    37   6    -0.01  -0.04  -0.04    -0.00   0.00   0.00    -0.00  -0.00   0.00
    38   6    -0.00   0.01   0.02    -0.00  -0.00  -0.00     0.00   0.00   0.00
    39   6    -0.01  -0.01  -0.03     0.00   0.00   0.00    -0.00  -0.00  -0.01
    40   6     0.01   0.02   0.02    -0.00  -0.00  -0.00     0.00   0.01   0.01
    41   7     0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    42   7     0.00   0.00   0.00     0.00   0.01   0.01    -0.01  -0.01  -0.01
    43   7    -0.01  -0.01  -0.01    -0.00   0.00   0.00    -0.00  -0.00  -0.00
    44   6    -0.00   0.00   0.00    -0.00   0.01   0.01    -0.00  -0.00   0.00
    45   6     0.00   0.00  -0.00     0.00   0.00  -0.01     0.00   0.00  -0.00
    46   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
    47   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.01  -0.01  -0.00
    48   6     0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    49   6     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    50   6     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
    51   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    52   6     0.00  -0.00  -0.01    -0.00   0.00   0.00     0.00  -0.00   0.00
    53   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    54   6     0.00  -0.00   0.01     0.00   0.00  -0.00     0.00   0.00  -0.00
    55   6    -0.01  -0.00  -0.01     0.00   0.00   0.00    -0.00  -0.00   0.00
    56   6    -0.00   0.00  -0.00    -0.00   0.00  -0.01     0.02   0.00  -0.02
    57   6     0.00  -0.00   0.00     0.00  -0.00   0.01    -0.01  -0.01   0.04
    58   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.02  -0.04
    59   6    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.01   0.03
    60   6    -0.00  -0.00   0.00    -0.01  -0.01   0.04     0.00  -0.00   0.01
    61   6     0.00   0.00  -0.00     0.00   0.01  -0.08     0.00   0.01  -0.02
    62   6    -0.00  -0.00   0.00    -0.01  -0.02   0.08    -0.00  -0.00   0.02
    63   6     0.00   0.00  -0.00     0.01   0.01  -0.04     0.00   0.00  -0.01
    64   6     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
    65   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    66   6     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    67   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    68   6    -0.00   0.00  -0.00     0.00   0.00   0.00     0.00  -0.00   0.01
    69   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.01
    70   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00   0.01
    71   6     0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
    72   6     0.01  -0.02   0.04     0.00   0.00  -0.00     0.00  -0.00  -0.00
    73   6     0.00   0.02  -0.07    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    74   6    -0.00  -0.01   0.07     0.00   0.00  -0.00     0.00   0.00  -0.00
    75   6     0.00   0.01  -0.03     0.00  -0.00   0.00     0.00  -0.00   0.00
    76   6     0.00   0.00  -0.01    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    77   6     0.00   0.00   0.02     0.00   0.00  -0.00     0.00   0.00  -0.01
    78   6     0.00   0.01  -0.02    -0.00  -0.00   0.00    -0.00  -0.00   0.01
    79   6    -0.01  -0.00   0.01     0.00   0.00  -0.00    -0.00   0.00  -0.00
    80   1     0.00  -0.01  -0.01     0.00  -0.01   0.01     0.01  -0.02  -0.00
    81   1    -0.00   0.00   0.00    -0.00   0.00  -0.00    -0.01  -0.01   0.01
    82   1     0.00  -0.00   0.00    -0.00   0.00   0.00     0.00  -0.01  -0.00
    83   1    -0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.01  -0.01   0.00
    84   1     0.00   0.00  -0.00     0.00   0.00  -0.02     0.02  -0.00   0.04
    85   1     0.00  -0.00  -0.00     0.01  -0.00   0.01     0.01  -0.01   0.00
    86   1     0.00  -0.00   0.00    -0.00   0.00  -0.04     0.01  -0.01   0.02
    87   1    -0.01   0.01   0.04     0.00   0.00  -0.00     0.01   0.02   0.00
    88   1     0.00  -0.01  -0.00     0.00  -0.00   0.00    -0.00  -0.02   0.00
    89   1    -0.01   0.01   0.03    -0.00   0.00  -0.00    -0.01   0.02  -0.00
    90   1     0.00   0.01   0.01     0.05   0.18   0.24     0.01  -0.02  -0.02
    91   1    -0.00  -0.01  -0.01    -0.04  -0.17  -0.22     0.01   0.03   0.03
    92   1    -0.00  -0.00  -0.00    -0.03  -0.10  -0.13     0.09   0.33   0.43
    93   1     0.00   0.00   0.00     0.03   0.09   0.12    -0.07  -0.33  -0.41
    94   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.03   0.02   0.04
    95   1    -0.00   0.00   0.00    -0.00  -0.00   0.00     0.02  -0.02  -0.04
    96   1    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.04   0.04   0.07
    97   1     0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.04  -0.04  -0.07
    98   1    -0.06  -0.22  -0.28     0.00   0.01   0.01    -0.00  -0.01  -0.01
    99   1     0.06   0.21   0.27    -0.00  -0.01  -0.01    -0.00   0.01   0.01
   100   1     0.03   0.12   0.14    -0.00  -0.00  -0.00     0.01   0.04   0.04
   101   1    -0.03  -0.10  -0.14     0.00   0.00   0.00    -0.01  -0.03  -0.04
   102   1    -0.00  -0.00   0.00    -0.01  -0.01   0.05     0.01  -0.04   0.18
   103   1     0.00   0.00  -0.00     0.00   0.01  -0.05     0.01   0.08  -0.27
   104   1    -0.00  -0.00   0.00    -0.01  -0.01   0.02    -0.02  -0.08   0.32
   105   1     0.00   0.00  -0.00    -0.00  -0.01   0.00     0.04   0.10  -0.24
   106   1     0.00   0.00  -0.01     0.03   0.08  -0.29     0.01   0.03  -0.07
   107   1    -0.00  -0.00   0.01    -0.04  -0.16   0.51    -0.01  -0.03   0.12
   108   1     0.00   0.00  -0.01     0.04   0.14  -0.49     0.01   0.03  -0.11
   109   1    -0.00  -0.00   0.01    -0.02  -0.09   0.32    -0.01  -0.03   0.08
   110   1    -0.00   0.00  -0.01    -0.00   0.00  -0.00    -0.00  -0.00  -0.01
   111   1     0.00  -0.00   0.01     0.00  -0.00   0.00     0.01  -0.00   0.02
   112   1    -0.00   0.00  -0.01    -0.00   0.00  -0.00    -0.01   0.00  -0.02
   113   1     0.00  -0.00   0.01     0.00  -0.00   0.00     0.00  -0.01   0.02
   114   1     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.01   0.01  -0.04
   115   1    -0.00   0.00  -0.01     0.00  -0.00   0.00     0.01  -0.01   0.05
   116   1     0.00  -0.00   0.01    -0.00   0.00  -0.00    -0.01   0.01  -0.04
   117   1    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.03
   118   1     0.04   0.08  -0.30    -0.00  -0.00   0.01     0.00  -0.00   0.01
   119   1    -0.04  -0.12   0.45     0.00   0.00  -0.01     0.00   0.00  -0.02
   120   1     0.05   0.13  -0.44    -0.00  -0.00   0.01    -0.00  -0.00   0.02
   121   1    -0.02  -0.06   0.25     0.00   0.00  -0.01     0.00   0.00  -0.01
   122   1    -0.00  -0.01   0.06     0.00   0.00  -0.01     0.00   0.01  -0.03
   123   1     0.01   0.04  -0.12    -0.00  -0.00   0.01    -0.00  -0.01   0.04
   124   1    -0.02  -0.04   0.14     0.00   0.00  -0.01     0.00   0.01  -0.04
   125   1     0.00   0.03  -0.11    -0.00  -0.00   0.01    -0.00  -0.00   0.02
   126  17     0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
                    184                    185                    186
                      A                      A                      A
 Frequencies --    979.2117               979.8521               980.2117
 Red. masses --      1.2809                 1.3783                 1.3192
 Frc consts  --      0.7236                 0.7797                 0.7468
 IR Inten    --      0.2773                 1.7953                 2.6765
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.01     0.00   0.00   0.00    -0.00  -0.00   0.00
     2   6     0.00   0.00  -0.01    -0.02   0.01  -0.00    -0.01   0.00  -0.00
     3   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     4   6    -0.00  -0.00   0.00     0.01   0.02  -0.00     0.01   0.01  -0.00
     5   6    -0.00  -0.00  -0.01     0.00  -0.00   0.00     0.00  -0.00   0.01
     6   6    -0.00   0.01   0.00     0.01  -0.02  -0.00     0.00  -0.01  -0.00
     7   6    -0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     8   6     0.00  -0.00   0.00    -0.02   0.01  -0.00    -0.01   0.00  -0.00
     9   6     0.00  -0.00   0.00    -0.02   0.02  -0.00    -0.01   0.01  -0.00
    10   6    -0.00  -0.01  -0.00     0.01   0.03  -0.00     0.00   0.01   0.00
    11   6    -0.00  -0.00  -0.00     0.02   0.01   0.00     0.01   0.00   0.00
    12   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    13   6    -0.00   0.01  -0.00     0.01  -0.02   0.00     0.00  -0.01  -0.00
    14   6    -0.00  -0.00   0.00     0.00  -0.01   0.00    -0.00  -0.00   0.00
    15   7    -0.00   0.00  -0.00     0.00  -0.02   0.00     0.00  -0.01  -0.00
    16   6    -0.00   0.00   0.00     0.01  -0.00   0.00     0.00   0.00  -0.00
    17   6     0.00   0.00  -0.00    -0.00  -0.01   0.00    -0.00  -0.00  -0.00
    18   7    -0.00   0.01   0.00     0.00  -0.03   0.00     0.00  -0.01   0.00
    19   6    -0.00  -0.00   0.00    -0.00   0.03  -0.00     0.00   0.01   0.00
    20   6     0.00   0.00  -0.00    -0.01  -0.02  -0.00    -0.00  -0.01   0.00
    21   6    -0.00   0.00  -0.00     0.02  -0.01   0.01     0.00   0.00  -0.01
    22   6     0.00  -0.00   0.00    -0.00   0.03  -0.01    -0.00   0.01   0.00
    23   6     0.01  -0.01  -0.01     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    24   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    25   6    -0.00   0.00   0.00     0.01  -0.01  -0.01     0.00   0.01   0.01
    26   6     0.00   0.00   0.00    -0.00  -0.01  -0.01    -0.00  -0.00  -0.00
    27   6    -0.00   0.00  -0.00     0.00   0.01   0.01     0.00   0.00   0.01
    28   6    -0.00  -0.00   0.00     0.00  -0.00  -0.01     0.00  -0.00  -0.00
    29   6    -0.00  -0.00   0.00     0.00   0.01   0.01     0.00   0.01   0.01
    30   6    -0.00  -0.00  -0.00    -0.00  -0.01  -0.02    -0.00  -0.00  -0.01
    31   6    -0.03   0.03   0.05     0.01  -0.01  -0.02     0.01  -0.03  -0.05
    32   6     0.03  -0.03  -0.06    -0.01   0.01   0.02    -0.03   0.03   0.04
    33   6    -0.01   0.01   0.02     0.00   0.00   0.00     0.00   0.01   0.00
    34   6     0.02  -0.02  -0.04     0.02  -0.02  -0.03     0.03  -0.03  -0.05
    35   6    -0.02   0.02   0.03    -0.02   0.02   0.04    -0.03   0.02   0.06
    36   6    -0.00  -0.00  -0.00     0.00   0.02   0.02    -0.00  -0.02  -0.02
    37   6     0.00   0.00   0.00    -0.01  -0.03  -0.02     0.00   0.02   0.02
    38   6    -0.00  -0.00  -0.00     0.00   0.01   0.02    -0.00  -0.01  -0.01
    39   6     0.00   0.00   0.00    -0.02  -0.03  -0.06     0.01   0.02   0.03
    40   6    -0.00  -0.00  -0.00     0.01   0.04   0.04    -0.01  -0.02  -0.03
    41   7     0.01  -0.01  -0.01     0.01   0.00  -0.00     0.01   0.01  -0.00
    42   7    -0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    43   7     0.00   0.00   0.00    -0.00  -0.01  -0.01     0.00   0.01   0.01
    44   6    -0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    45   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    46   6     0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    47   6    -0.00  -0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    48   6     0.01  -0.00   0.00     0.01   0.00  -0.00     0.01   0.00  -0.00
    49   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    50   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    51   6     0.00  -0.01   0.00     0.00   0.00   0.00     0.00   0.01   0.00
    52   6    -0.00   0.00  -0.00     0.00  -0.01   0.00    -0.00   0.01  -0.00
    53   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    54   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    55   6     0.00   0.00  -0.00    -0.01  -0.01   0.00     0.00   0.00  -0.00
    56   6     0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    57   6    -0.00   0.00  -0.00     0.00   0.00  -0.01     0.00   0.00  -0.00
    58   6    -0.00   0.00   0.00    -0.00  -0.01   0.01    -0.00  -0.00   0.00
    59   6     0.00   0.00  -0.00    -0.00   0.00  -0.01    -0.00   0.00  -0.00
    60   6     0.00  -0.00   0.00    -0.00   0.00  -0.01    -0.00   0.00  -0.00
    61   6    -0.00   0.00  -0.00    -0.00  -0.00   0.01    -0.00  -0.00   0.00
    62   6    -0.00  -0.00   0.00     0.00   0.00  -0.01     0.00   0.00  -0.00
    63   6     0.00   0.00  -0.00     0.00  -0.00   0.01     0.00  -0.00   0.00
    64   6     0.00   0.01  -0.02    -0.00  -0.00   0.00    -0.00  -0.01   0.01
    65   6     0.01  -0.01   0.04    -0.00   0.00  -0.01    -0.00   0.01  -0.01
    66   6    -0.02   0.01  -0.04     0.00  -0.00   0.01     0.01  -0.01   0.02
    67   6     0.01  -0.00   0.03    -0.00  -0.00  -0.01    -0.01  -0.00  -0.01
    68   6     0.00  -0.00   0.02     0.00  -0.00   0.01    -0.00  -0.01   0.02
    69   6    -0.01   0.01  -0.03    -0.01   0.01  -0.02    -0.01   0.01  -0.02
    70   6     0.01  -0.00   0.03     0.01  -0.00   0.01     0.01  -0.00   0.02
    71   6    -0.01  -0.01  -0.02    -0.01  -0.00  -0.01    -0.01  -0.01  -0.01
    72   6    -0.00  -0.00   0.00     0.01   0.00  -0.01    -0.00  -0.00   0.01
    73   6     0.00   0.00  -0.00    -0.01  -0.01   0.02     0.00   0.01  -0.02
    74   6    -0.00  -0.00   0.00     0.00   0.01  -0.03    -0.00  -0.01   0.02
    75   6     0.00   0.00  -0.00    -0.00  -0.00   0.02     0.00   0.00  -0.01
    76   6     0.00   0.00  -0.00    -0.00  -0.00   0.02     0.00   0.00  -0.01
    77   6    -0.00  -0.00   0.00     0.01   0.02  -0.03    -0.00  -0.01   0.02
    78   6    -0.00   0.00  -0.00     0.00  -0.01   0.03    -0.00   0.01  -0.02
    79   6     0.00  -0.00   0.00    -0.01   0.01  -0.02     0.01  -0.00   0.01
    80   1    -0.00   0.01   0.00     0.01  -0.04   0.00     0.00  -0.02   0.01
    81   1     0.00  -0.01   0.03    -0.02  -0.00   0.01    -0.01  -0.01   0.02
    82   1    -0.01  -0.01   0.06    -0.00  -0.01  -0.01     0.00  -0.00  -0.03
    83   1     0.01   0.01  -0.02    -0.00  -0.02   0.01    -0.01  -0.01   0.02
    84   1    -0.00  -0.01   0.01     0.02   0.01  -0.01     0.01   0.00  -0.00
    85   1    -0.00   0.01  -0.00     0.02  -0.02   0.00     0.01  -0.01   0.01
    86   1    -0.00  -0.00  -0.00     0.00  -0.01  -0.01     0.00  -0.01  -0.01
    87   1    -0.00  -0.00  -0.00     0.01   0.03   0.03     0.02   0.01  -0.02
    88   1    -0.00   0.01   0.00     0.00  -0.03   0.00    -0.00  -0.01   0.00
    89   1     0.00  -0.00  -0.00    -0.02   0.02   0.02     0.00   0.01  -0.02
    90   1    -0.00  -0.00  -0.00     0.01   0.04   0.06     0.01   0.02   0.03
    91   1    -0.00   0.00   0.00    -0.01  -0.05  -0.07    -0.01  -0.03  -0.03
    92   1    -0.00  -0.00  -0.00    -0.02  -0.07  -0.09    -0.01  -0.04  -0.05
    93   1     0.00   0.00   0.00     0.02   0.07   0.09     0.01   0.04   0.04
    94   1     0.19  -0.19  -0.33    -0.07   0.06   0.11    -0.15   0.14   0.24
    95   1    -0.20   0.21   0.35     0.06  -0.07  -0.11     0.14  -0.15  -0.24
    96   1    -0.15   0.15   0.25    -0.12   0.12   0.20    -0.18   0.18   0.31
    97   1     0.13  -0.14  -0.23     0.11  -0.13  -0.20     0.17  -0.20  -0.30
    98   1     0.00   0.01   0.01    -0.04  -0.13  -0.16     0.04   0.11   0.15
    99   1    -0.00  -0.01  -0.01     0.03   0.14   0.19    -0.04  -0.12  -0.15
   100   1    -0.00  -0.02  -0.02     0.06   0.25   0.30    -0.04  -0.15  -0.19
   101   1     0.01   0.02   0.02    -0.07  -0.22  -0.29     0.05   0.14   0.19
   102   1     0.00   0.00  -0.00    -0.00   0.01  -0.04    -0.00   0.00  -0.02
   103   1    -0.00  -0.00   0.00    -0.00  -0.02   0.05    -0.00  -0.01   0.02
   104   1     0.00   0.00  -0.00     0.00   0.01  -0.06     0.00   0.01  -0.03
   105   1    -0.00  -0.00   0.00    -0.01  -0.02   0.05    -0.00  -0.01   0.02
   106   1     0.00   0.00  -0.00    -0.01  -0.02   0.05    -0.00  -0.01   0.02
   107   1    -0.00  -0.00   0.00     0.01   0.02  -0.07     0.00   0.01  -0.03
   108   1     0.00   0.00  -0.00    -0.01  -0.02   0.06    -0.00  -0.01   0.03
   109   1     0.00  -0.00   0.00     0.00   0.01  -0.04     0.00   0.00  -0.02
   110   1     0.04  -0.01   0.17    -0.00  -0.00  -0.02    -0.01  -0.01  -0.06
   111   1    -0.06   0.04  -0.25     0.01  -0.00   0.04     0.03  -0.01   0.10
   112   1     0.06  -0.04   0.30    -0.01   0.01  -0.06    -0.02   0.02  -0.13
   113   1    -0.06   0.07  -0.21     0.01  -0.02   0.05     0.03  -0.04   0.11
   114   1    -0.05   0.04  -0.16    -0.03   0.02  -0.10    -0.05   0.03  -0.13
   115   1     0.04  -0.04   0.23     0.02  -0.02   0.12     0.03  -0.03   0.17
   116   1    -0.04   0.04  -0.20    -0.02   0.02  -0.10    -0.02   0.03  -0.13
   117   1     0.02  -0.03   0.14     0.00  -0.01   0.06    -0.00  -0.01   0.08
   118   1     0.00   0.00  -0.01    -0.00  -0.03   0.11     0.00   0.02  -0.08
   119   1    -0.00  -0.00   0.01     0.01   0.04  -0.17    -0.01  -0.03   0.12
   120   1     0.00   0.00  -0.02    -0.01  -0.05   0.19     0.01   0.04  -0.15
   121   1    -0.00  -0.00   0.01     0.02   0.05  -0.13    -0.02  -0.04   0.10
   122   1    -0.00  -0.01   0.02     0.02   0.08  -0.18    -0.01  -0.05   0.11
   123   1     0.00   0.01  -0.02    -0.02  -0.06   0.24     0.01   0.03  -0.15
   124   1    -0.00  -0.00   0.02     0.02   0.05  -0.21    -0.01  -0.03   0.12
   125   1     0.00   0.00  -0.01    -0.02  -0.02   0.14     0.01   0.01  -0.08
   126  17    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
                    187                    188                    189
                      A                      A                      A
 Frequencies --    981.2852               982.1949               984.5753
 Red. masses --      1.3357                 1.4851                 3.0679
 Frc consts  --      0.7578                 0.8441                 1.7522
 IR Inten    --      1.6381                 6.7590                 5.4902
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.01   0.02  -0.00
     2   6     0.01  -0.00  -0.00     0.03  -0.01  -0.00    -0.09   0.02   0.00
     3   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     4   6    -0.01  -0.01  -0.00    -0.02  -0.02  -0.00     0.06   0.08   0.00
     5   6     0.00   0.00   0.00     0.00   0.01   0.00    -0.01  -0.02  -0.01
     6   6    -0.00   0.01  -0.00    -0.01   0.03  -0.00     0.03  -0.10   0.01
     7   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.01  -0.00
     8   6     0.01  -0.00   0.00     0.03  -0.01   0.00    -0.10   0.03   0.00
     9   6     0.01  -0.01  -0.00     0.03  -0.03  -0.00    -0.11   0.10  -0.00
    10   6    -0.00  -0.01  -0.00    -0.02  -0.04   0.00     0.05   0.13  -0.00
    11   6    -0.01  -0.01  -0.00    -0.02  -0.02  -0.00     0.07   0.07   0.00
    12   6     0.00  -0.00   0.00     0.00  -0.00   0.01    -0.02   0.01   0.00
    13   6    -0.00   0.01   0.00    -0.01   0.04   0.01     0.03  -0.11   0.01
    14   6    -0.00   0.00  -0.00     0.00   0.01  -0.01     0.02  -0.02  -0.01
    15   7     0.00   0.01   0.00    -0.01   0.03   0.00     0.01  -0.09   0.00
    16   6    -0.00  -0.00   0.00    -0.01   0.00  -0.00     0.03  -0.01  -0.00
    17   6    -0.00   0.00  -0.00     0.00   0.01   0.00    -0.01  -0.02  -0.00
    18   7    -0.00   0.01  -0.00    -0.01   0.04  -0.00     0.02  -0.11   0.00
    19   6    -0.00  -0.01  -0.01    -0.00  -0.03   0.00     0.01   0.09  -0.00
    20   6     0.00   0.01   0.00     0.01   0.03  -0.00    -0.04  -0.08   0.00
    21   6    -0.00  -0.00   0.00    -0.01   0.01   0.00     0.04  -0.02  -0.00
    22   6    -0.00  -0.01  -0.00     0.01  -0.04  -0.00    -0.03   0.11   0.00
    23   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.01   0.01  -0.00
    24   6     0.00  -0.00  -0.00     0.00  -0.01  -0.01    -0.01  -0.00  -0.01
    25   6    -0.00  -0.00  -0.00    -0.01  -0.00  -0.00     0.03  -0.00   0.01
    26   6     0.00   0.01   0.01     0.01   0.05   0.08     0.00   0.04   0.07
    27   6    -0.00  -0.01  -0.01    -0.01  -0.05  -0.08    -0.01  -0.05  -0.05
    28   6     0.00   0.00   0.00     0.01   0.01   0.01     0.01   0.00   0.01
    29   6    -0.00  -0.00   0.00     0.00   0.01   0.01     0.01   0.03   0.01
    30   6    -0.00  -0.00  -0.00    -0.01  -0.01  -0.02    -0.01  -0.01  -0.03
    31   6     0.00  -0.00  -0.01     0.00  -0.01  -0.02    -0.00   0.01   0.02
    32   6    -0.00   0.00   0.01    -0.01   0.01   0.01     0.01  -0.02  -0.01
    33   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
    34   6     0.00  -0.00  -0.01     0.01  -0.01  -0.01    -0.02   0.01   0.01
    35   6    -0.00   0.00   0.01    -0.01   0.00   0.02     0.01  -0.00  -0.02
    36   6     0.02   0.04   0.07    -0.00  -0.00  -0.01    -0.00  -0.01   0.00
    37   6    -0.01  -0.05  -0.07     0.01   0.01   0.00    -0.02  -0.01   0.02
    38   6    -0.01   0.01   0.01     0.00   0.00   0.00    -0.00  -0.00  -0.00
    39   6     0.01   0.03   0.05    -0.00  -0.02  -0.01    -0.00   0.04   0.01
    40   6    -0.00  -0.03  -0.05     0.00   0.01   0.02    -0.00  -0.01  -0.03
    41   7     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.01  -0.01   0.00
    42   7    -0.00  -0.00  -0.00     0.01  -0.01  -0.01     0.02  -0.01  -0.00
    43   7    -0.02   0.00  -0.00     0.01  -0.00  -0.00    -0.01   0.01   0.00
    44   6     0.00  -0.00  -0.00     0.01  -0.01  -0.00     0.01  -0.01  -0.00
    45   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    46   6     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
    47   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.01   0.00   0.00
    48   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    49   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    50   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    51   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.01  -0.00
    52   6    -0.01   0.01   0.00     0.00  -0.00  -0.00    -0.00   0.01   0.00
    53   6     0.00   0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    54   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    55   6    -0.01  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
    56   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.01   0.00   0.00
    57   6    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.01   0.00  -0.00
    58   6     0.00   0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
    59   6    -0.00   0.00   0.00    -0.00   0.00  -0.00    -0.01   0.01  -0.00
    60   6    -0.00  -0.00   0.00    -0.01  -0.01   0.03    -0.01  -0.00   0.02
    61   6     0.00   0.00  -0.01     0.01   0.02  -0.03     0.01   0.01  -0.02
    62   6     0.00  -0.00   0.00     0.00  -0.01   0.03     0.01  -0.01   0.01
    63   6    -0.00   0.00  -0.00    -0.01   0.01  -0.02    -0.01   0.00  -0.01
    64   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    65   6    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    66   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    67   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    68   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    69   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    70   6     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    71   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    72   6     0.01  -0.00  -0.01    -0.00   0.00   0.00     0.00  -0.00   0.00
    73   6    -0.01  -0.01   0.03     0.00   0.00  -0.00    -0.00   0.00  -0.00
    74   6     0.00   0.02  -0.03    -0.00  -0.00   0.00    -0.00   0.00   0.00
    75   6     0.00  -0.01   0.03    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    76   6     0.01   0.00  -0.01    -0.00  -0.00   0.01     0.00   0.00  -0.01
    77   6    -0.00  -0.01   0.02     0.00   0.01  -0.01    -0.00  -0.01   0.01
    78   6    -0.00   0.01  -0.01     0.00  -0.00   0.01    -0.00   0.00  -0.00
    79   6     0.01  -0.00   0.01    -0.00   0.00  -0.00     0.01  -0.00   0.00
    80   1    -0.00   0.02  -0.02    -0.01   0.06  -0.03     0.03  -0.19   0.01
    81   1     0.01  -0.00   0.00     0.03  -0.00   0.01    -0.10   0.01  -0.02
    82   1     0.00   0.01  -0.01     0.00   0.02  -0.03    -0.01  -0.06   0.07
    83   1    -0.00   0.01   0.00    -0.00   0.03   0.01     0.01  -0.11  -0.03
    84   1    -0.01  -0.01   0.01    -0.03  -0.02   0.02     0.09   0.06  -0.02
    85   1    -0.01   0.01  -0.01    -0.03   0.03  -0.04     0.05  -0.10  -0.01
    86   1    -0.00   0.00   0.01    -0.00   0.01   0.07     0.04  -0.03   0.08
    87   1    -0.02  -0.01   0.05    -0.02  -0.03   0.00     0.08   0.11  -0.01
    88   1     0.01   0.01  -0.02    -0.01   0.05  -0.01     0.02  -0.15   0.01
    89   1     0.01  -0.01  -0.00     0.02  -0.03   0.02    -0.05   0.11  -0.04
    90   1    -0.01  -0.04  -0.05    -0.10  -0.33  -0.44    -0.09  -0.28  -0.35
    91   1     0.01   0.04   0.05     0.09   0.35   0.44     0.07   0.25   0.35
    92   1    -0.00   0.00   0.00    -0.01  -0.05  -0.06    -0.02  -0.08  -0.13
    93   1    -0.00  -0.00  -0.00     0.01   0.06   0.07     0.02   0.12   0.13
    94   1    -0.02   0.02   0.04    -0.05   0.04   0.07     0.07  -0.07  -0.11
    95   1     0.02  -0.02  -0.04     0.04  -0.04  -0.07    -0.06   0.05   0.11
    96   1    -0.02   0.02   0.04    -0.04   0.05   0.08     0.04  -0.05  -0.10
    97   1     0.02  -0.03  -0.04     0.05  -0.06  -0.08    -0.06   0.07   0.10
    98   1    -0.08  -0.31  -0.38     0.00   0.03   0.03     0.01   0.01   0.03
    99   1     0.09   0.31   0.39    -0.00  -0.02  -0.04    -0.03  -0.03  -0.01
   100   1    -0.06  -0.21  -0.26     0.03   0.09   0.12    -0.04  -0.08  -0.15
   101   1     0.08   0.21   0.26    -0.03  -0.10  -0.12     0.04   0.12   0.14
   102   1     0.00  -0.00   0.00    -0.00  -0.01   0.01    -0.01  -0.01  -0.01
   103   1     0.00   0.00  -0.00     0.00  -0.00  -0.00     0.01  -0.01   0.02
   104   1     0.00  -0.00   0.00     0.00   0.01  -0.01     0.01   0.01  -0.03
   105   1     0.00   0.00  -0.00    -0.00  -0.00   0.02    -0.01  -0.01   0.03
   106   1     0.00   0.01  -0.03     0.02   0.09  -0.20     0.00   0.06  -0.12
   107   1    -0.00  -0.01   0.04    -0.02  -0.06   0.25    -0.01  -0.03   0.14
   108   1     0.00   0.01  -0.03     0.03   0.05  -0.19     0.02   0.02  -0.10
   109   1    -0.00  -0.00   0.02    -0.02  -0.01   0.12    -0.02   0.01   0.06
   110   1    -0.00  -0.00  -0.01    -0.00  -0.00  -0.01     0.00   0.01   0.01
   111   1     0.00  -0.00   0.01     0.01  -0.00   0.02    -0.01   0.00  -0.02
   112   1    -0.00   0.00  -0.02    -0.00   0.00  -0.03     0.00  -0.00   0.03
   113   1     0.00  -0.01   0.01     0.01  -0.01   0.02    -0.01   0.01  -0.03
   114   1    -0.01   0.00  -0.02    -0.01   0.01  -0.03     0.01  -0.00   0.02
   115   1     0.00  -0.00   0.02     0.01  -0.00   0.03    -0.00   0.00  -0.03
   116   1    -0.00   0.00  -0.01    -0.00   0.01  -0.02     0.00  -0.01   0.02
   117   1    -0.00  -0.00   0.01    -0.00  -0.00   0.02     0.01   0.00  -0.01
   118   1     0.01  -0.02   0.12    -0.00  -0.00  -0.00     0.01   0.00  -0.01
   119   1     0.00   0.05  -0.18     0.00  -0.00   0.01    -0.00  -0.00   0.01
   120   1    -0.02  -0.06   0.24     0.00   0.00  -0.01    -0.00   0.00  -0.01
   121   1     0.04   0.07  -0.19    -0.00  -0.00   0.01     0.00  -0.01   0.01
   122   1    -0.00  -0.05   0.11     0.00   0.02  -0.05    -0.00  -0.02   0.04
   123   1     0.01   0.03  -0.12    -0.00  -0.01   0.05     0.00   0.01  -0.05
   124   1    -0.02  -0.02   0.09     0.01   0.01  -0.04    -0.01  -0.01   0.03
   125   1     0.01  -0.00  -0.05    -0.01   0.00   0.03     0.01  -0.00  -0.02
   126  17     0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
                    190                    191                    192
                      A                      A                      A
 Frequencies --    999.8605              1000.4044              1016.1211
 Red. masses --      1.3067                 1.3159                 1.2789
 Frc consts  --      0.7697                 0.7759                 0.7780
 IR Inten    --      4.1839                 0.5293                 1.1076
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00    -0.00  -0.00  -0.01     0.00   0.00  -0.00
     2   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.01    -0.00   0.00  -0.00
     3   6     0.00   0.00  -0.00     0.00  -0.00   0.01     0.00  -0.00   0.00
     4   6    -0.00  -0.00  -0.00    -0.00  -0.00   0.02     0.00   0.00   0.00
     5   6    -0.00   0.00   0.01     0.00   0.00  -0.13    -0.00   0.00  -0.00
     6   6     0.00   0.00  -0.01     0.00   0.00   0.10     0.00  -0.00   0.00
     7   6     0.00   0.00   0.01     0.00  -0.00   0.00     0.00  -0.00  -0.00
     8   6    -0.00   0.00   0.02     0.00  -0.00   0.00    -0.00  -0.00  -0.00
     9   6    -0.00   0.00  -0.01     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    10   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.02     0.00   0.00  -0.00
    11   6    -0.00  -0.00  -0.01    -0.00  -0.00  -0.00     0.00   0.00   0.00
    12   6     0.00  -0.00  -0.01    -0.00   0.00  -0.00    -0.00   0.00   0.00
    13   6    -0.00  -0.00   0.10    -0.00   0.00   0.01     0.00  -0.00  -0.02
    14   6    -0.00  -0.00  -0.12     0.00   0.00  -0.01     0.00   0.00   0.02
    15   7     0.00  -0.00   0.03    -0.00   0.00   0.00    -0.00  -0.00   0.01
    16   6     0.00  -0.00  -0.01    -0.00   0.00   0.00    -0.00   0.00   0.01
    17   6     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.01
    18   7     0.00  -0.00   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    19   6     0.00  -0.00  -0.01    -0.00  -0.00   0.00     0.01  -0.00  -0.11
    20   6    -0.00  -0.00   0.02     0.00   0.00   0.00    -0.00   0.00   0.10
    21   6    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.01
    22   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.01
    23   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    24   6    -0.00   0.01   0.01    -0.00   0.00   0.00    -0.00  -0.00  -0.00
    25   6     0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    26   6     0.00  -0.01  -0.01     0.00  -0.00  -0.00     0.00   0.00   0.00
    27   6     0.01   0.00   0.01     0.00  -0.00   0.00    -0.00  -0.00   0.00
    28   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    29   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    30   6     0.00  -0.01   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    31   6    -0.00   0.00   0.00     0.00  -0.01  -0.01    -0.00   0.00  -0.00
    32   6     0.00  -0.00  -0.00    -0.01   0.00   0.01     0.00  -0.00   0.00
    33   6     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    34   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    35   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    36   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.01
    37   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.01   0.00
    38   6     0.00   0.00  -0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    39   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
    40   6    -0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    41   7    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
    42   7    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    43   7     0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
    44   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    45   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    46   6     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    47   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    48   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    49   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    50   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    51   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
    52   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    53   6    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    54   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    55   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    56   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    57   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    58   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    59   6     0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
    60   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    61   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
    62   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    63   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    64   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    65   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
    66   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
    67   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    68   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    69   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    70   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    71   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    72   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    73   6     0.00   0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    74   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
    75   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    76   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    77   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    78   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    79   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    80   1    -0.00  -0.01  -0.32    -0.00   0.00  -0.02     0.00  -0.00  -0.12
    81   1    -0.00  -0.00   0.00     0.01   0.00   0.01    -0.00   0.00   0.00
    82   1    -0.00  -0.00  -0.08     0.01   0.03   0.77    -0.00   0.00   0.01
    83   1     0.00   0.00   0.07    -0.02   0.00  -0.60     0.00  -0.00  -0.01
    84   1     0.00  -0.00   0.02    -0.00  -0.00   0.00     0.00   0.00  -0.00
    85   1     0.01   0.01  -0.61    -0.00   0.00  -0.07    -0.00  -0.00   0.10
    86   1    -0.00   0.01   0.68    -0.00   0.00   0.08     0.00  -0.00  -0.13
    87   1     0.00   0.00   0.07    -0.00  -0.00  -0.00     0.02   0.02   0.72
    88   1    -0.00  -0.00  -0.11    -0.00   0.01  -0.00     0.00   0.00  -0.64
    89   1    -0.00   0.00  -0.01     0.00  -0.00   0.00     0.01  -0.00   0.04
    90   1     0.00   0.06   0.05     0.00   0.01   0.01     0.00  -0.01  -0.00
    91   1     0.00  -0.03  -0.05     0.00  -0.01  -0.01    -0.00   0.00   0.00
    92   1    -0.01   0.00  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    93   1     0.01   0.00   0.01     0.00  -0.00  -0.00    -0.00   0.00  -0.00
    94   1     0.00  -0.00  -0.01    -0.03   0.04   0.05    -0.00   0.00  -0.00
    95   1    -0.00   0.00   0.00     0.01  -0.03  -0.04     0.00  -0.00   0.00
    96   1    -0.00  -0.00  -0.00     0.00   0.01   0.00    -0.00   0.00  -0.00
    97   1     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    98   1     0.01   0.01   0.01    -0.00  -0.00   0.00     0.03   0.03   0.03
    99   1    -0.00  -0.00  -0.01    -0.00   0.00  -0.00    -0.01  -0.01  -0.03
   100   1     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.01  -0.00  -0.00
   101   1    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.01   0.00   0.01
   102   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
   103   1    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
   104   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
   105   1     0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
   106   1     0.00  -0.01   0.01     0.00  -0.00   0.00    -0.00   0.00  -0.00
   107   1    -0.00   0.00  -0.01    -0.00   0.00  -0.00     0.00  -0.00   0.00
   108   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
   109   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
   110   1     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
   111   1    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
   112   1    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
   113   1    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00   0.00   0.00
   114   1     0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
   115   1     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
   116   1    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
   117   1     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
   118   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
   119   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
   120   1     0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
   121   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
   122   1    -0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
   123   1     0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
   124   1     0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
   125   1    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
   126  17     0.00   0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
                    193                    194                    195
                      A                      A                      A
 Frequencies --   1020.6125              1020.6940              1020.7603
 Red. masses --      7.3217                 7.3229                 7.3216
 Frc consts  --      4.4935                 4.4950                 4.4947
 IR Inten    --      3.4956                 2.1405                 2.7654
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00   0.00
     2   6    -0.00   0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
     3   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     4   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
     5   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
     6   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
     7   6    -0.00  -0.00   0.00     0.00   0.00   0.00     0.00  -0.00   0.00
     8   6    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
     9   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    10   6    -0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    11   6     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
    12   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
    13   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
    14   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    15   7     0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
    16   6     0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    17   6     0.00   0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    18   7    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    19   6    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
    20   6    -0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    21   6    -0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
    22   6     0.00   0.00   0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
    23   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    24   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    25   6    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    26   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    27   6     0.00   0.00  -0.00    -0.00  -0.00   0.01     0.00  -0.00   0.00
    28   6     0.00   0.00   0.00    -0.00  -0.00  -0.01    -0.00  -0.00  -0.00
    29   6    -0.00   0.00  -0.00     0.00  -0.00   0.01     0.00   0.00  -0.00
    30   6    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    31   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    32   6    -0.00  -0.00  -0.01    -0.00  -0.00  -0.00     0.00  -0.00   0.00
    33   6    -0.00   0.00   0.01    -0.00   0.00   0.00     0.00  -0.00  -0.00
    34   6    -0.00   0.00  -0.01    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    35   6    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    36   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    37   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.01
    38   6    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.01
    39   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.01
    40   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    41   7     0.01  -0.01  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    42   7    -0.00  -0.00  -0.00     0.00   0.02   0.00     0.00   0.00   0.00
    43   7     0.00   0.00   0.00     0.00  -0.00  -0.00     0.01   0.02   0.00
    44   6    -0.00   0.00  -0.00     0.02  -0.01   0.01     0.00  -0.00   0.00
    45   6    -0.03  -0.05  -0.02     0.15   0.26   0.08     0.00   0.00   0.00
    46   6     0.00  -0.06  -0.02    -0.00   0.30   0.08    -0.00   0.00   0.00
    47   6     0.00  -0.00  -0.00    -0.02   0.01   0.01    -0.00   0.00   0.00
    48   6    -0.01  -0.01  -0.01    -0.00  -0.00  -0.00     0.00   0.00   0.00
    49   6     0.14  -0.26  -0.08     0.03  -0.05  -0.02    -0.00   0.00   0.00
    50   6     0.26  -0.15  -0.08     0.05  -0.03  -0.02    -0.00   0.00   0.00
    51   6     0.01   0.01  -0.01     0.00   0.00  -0.00    -0.00  -0.00   0.00
    52   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.02  -0.01   0.01
    53   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.16   0.26   0.08
    54   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.01   0.31   0.08
    55   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.02   0.01   0.01
    56   6    -0.01   0.00  -0.00     0.03  -0.00   0.00     0.00  -0.00   0.00
    57   6     0.05   0.03   0.01    -0.27  -0.13  -0.06    -0.00  -0.00  -0.00
    58   6    -0.00  -0.00  -0.00     0.01   0.00   0.00     0.00   0.00   0.00
    59   6    -0.05   0.03   0.01     0.25  -0.15  -0.03     0.00  -0.00  -0.00
    60   6     0.06   0.00   0.01    -0.29  -0.00  -0.03    -0.00  -0.00  -0.00
    61   6     0.00  -0.00  -0.00    -0.01   0.01   0.00    -0.00   0.00   0.00
    62   6    -0.03   0.05   0.01     0.17  -0.25  -0.05     0.00  -0.00  -0.00
    63   6     0.00  -0.00  -0.00    -0.02   0.01   0.00    -0.00   0.00   0.00
    64   6    -0.02  -0.02  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    65   6     0.02   0.30   0.05     0.00   0.06   0.01    -0.00  -0.00  -0.00
    66   6    -0.00  -0.01  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    67   6    -0.25  -0.14   0.03    -0.05  -0.03   0.01     0.00   0.00  -0.00
    68   6     0.14   0.26   0.02     0.03   0.05   0.00    -0.00  -0.00  -0.00
    69   6     0.01   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    70   6    -0.30  -0.02   0.06    -0.06  -0.00   0.01     0.00   0.00  -0.00
    71   6     0.02   0.02  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    72   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.03  -0.00   0.00
    73   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.28  -0.13  -0.06
    74   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.01   0.00   0.00
    75   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.25  -0.16  -0.03
    76   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.30   0.00  -0.03
    77   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.01   0.01   0.00
    78   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.16  -0.26  -0.05
    79   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.02   0.01   0.00
    80   1     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
    81   1     0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    82   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    83   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    84   1    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00   0.00   0.00
    85   1     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
    86   1     0.00   0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    87   1     0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.01
    88   1    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00   0.01
    89   1     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    90   1     0.00  -0.00  -0.00    -0.01   0.01   0.00    -0.00   0.00  -0.00
    91   1     0.00   0.00   0.00    -0.01  -0.02  -0.02    -0.00  -0.00  -0.00
    92   1     0.00   0.00   0.00    -0.01  -0.02  -0.02    -0.00   0.00  -0.00
    93   1    -0.00  -0.00  -0.00     0.01   0.00   0.00    -0.00  -0.00   0.00
    94   1    -0.00  -0.01   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    95   1    -0.01   0.01   0.02    -0.00   0.00   0.00     0.00  -0.00  -0.00
    96   1    -0.01   0.01   0.02    -0.00   0.00   0.00     0.00  -0.00  -0.00
    97   1     0.01   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    98   1    -0.00  -0.00  -0.00    -0.00   0.00   0.00     0.01  -0.00   0.00
    99   1    -0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.01  -0.02  -0.02
   100   1    -0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.01  -0.02  -0.02
   101   1    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.01   0.01   0.00
   102   1    -0.00  -0.00  -0.00     0.02   0.01  -0.00     0.00   0.00  -0.00
   103   1     0.06   0.02   0.01    -0.31  -0.10  -0.05    -0.00  -0.00  -0.00
   104   1    -0.01   0.00   0.00     0.06  -0.01  -0.01     0.00  -0.00  -0.00
   105   1    -0.05   0.04   0.00     0.24  -0.19  -0.01     0.00  -0.00  -0.00
   106   1     0.06   0.01   0.00    -0.30  -0.04  -0.02    -0.00  -0.00  -0.00
   107   1     0.01  -0.00   0.00    -0.05   0.02  -0.01    -0.00   0.00  -0.00
   108   1    -0.04   0.05   0.01     0.22  -0.24  -0.04     0.00  -0.00  -0.00
   109   1     0.00  -0.00  -0.00    -0.01   0.02   0.00    -0.00   0.00  -0.00
   110   1     0.00  -0.02  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
   111   1     0.07   0.31   0.04     0.01   0.06   0.01    -0.00  -0.00  -0.00
   112   1    -0.04  -0.04   0.01    -0.01  -0.01   0.00     0.00   0.00  -0.00
   113   1    -0.28  -0.12   0.02    -0.06  -0.02   0.00     0.00   0.00  -0.00
   114   1     0.12   0.28   0.01     0.02   0.06   0.00    -0.00  -0.00  -0.00
   115   1     0.04   0.04   0.01     0.01   0.01   0.00    -0.00  -0.00  -0.00
   116   1    -0.31  -0.07   0.05    -0.06  -0.01   0.01     0.00   0.00  -0.00
   117   1     0.02  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
   118   1     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.02   0.01  -0.00
   119   1    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.31  -0.09  -0.05
   120   1     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.06  -0.01  -0.01
   121   1     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.24  -0.20  -0.01
   122   1    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.31  -0.03  -0.01
   123   1    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.05   0.02  -0.01
   124   1     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.21  -0.25  -0.04
   125   1    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.01   0.02  -0.00
   126  17    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
                    196                    197                    198
                      A                      A                      A
 Frequencies --   1023.4541              1031.4058              1034.0881
 Red. masses --      5.9587                 3.2076                 2.8795
 Frc consts  --      3.6774                 2.0105                 1.8142
 IR Inten    --     11.4931                13.7743                11.1060
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.11  -0.11   0.00    -0.00   0.00  -0.00     0.01  -0.00  -0.00
     2   6     0.00  -0.01   0.00    -0.02   0.00   0.00     0.02  -0.03   0.00
     3   6    -0.05   0.16  -0.00     0.00   0.00  -0.00    -0.01  -0.01   0.00
     4   6     0.00   0.02  -0.00     0.02   0.02  -0.00     0.00  -0.01   0.00
     5   6     0.15  -0.05  -0.00    -0.00   0.00   0.00    -0.01  -0.00  -0.00
     6   6    -0.00   0.01   0.00     0.01  -0.02  -0.00    -0.02   0.03  -0.00
     7   6    -0.03   0.17  -0.00     0.00   0.00   0.00    -0.01   0.01  -0.00
     8   6    -0.02   0.02  -0.00     0.02  -0.01   0.00     0.00   0.01  -0.00
     9   6    -0.01   0.01  -0.00     0.02  -0.01   0.00    -0.00   0.00   0.00
    10   6     0.00   0.02  -0.00     0.02   0.01  -0.00    -0.00  -0.00  -0.00
    11   6    -0.00  -0.02   0.00    -0.01  -0.01  -0.00    -0.00   0.03  -0.00
    12   6     0.15  -0.04   0.00    -0.00  -0.00   0.00     0.01   0.01  -0.00
    13   6     0.00   0.01   0.00    -0.00   0.02   0.00    -0.01  -0.03   0.00
    14   6    -0.10  -0.12   0.00    -0.00   0.00  -0.00    -0.01   0.00  -0.00
    15   7    -0.00  -0.02   0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
    16   6     0.00  -0.01   0.00    -0.02  -0.02   0.00     0.00  -0.00   0.00
    17   6    -0.00  -0.01   0.00    -0.03   0.01  -0.00     0.00   0.00  -0.00
    18   7     0.01  -0.02   0.00     0.00   0.01   0.00    -0.00   0.00  -0.00
    19   6     0.00   0.01  -0.00    -0.03   0.01  -0.00     0.00  -0.00   0.00
    20   6    -0.00  -0.01   0.00     0.04   0.10  -0.00    -0.00  -0.00  -0.00
    21   6    -0.00  -0.00  -0.00     0.05  -0.06   0.00    -0.00   0.00   0.00
    22   6    -0.01   0.02  -0.00    -0.04  -0.06   0.00     0.00   0.00  -0.00
    23   6    -0.12  -0.11   0.00     0.00   0.00   0.00     0.03   0.03   0.00
    24   6     0.15  -0.04   0.00     0.00  -0.00   0.00     0.03  -0.01  -0.00
    25   6     0.00   0.00   0.00     0.09  -0.03   0.01    -0.00   0.00  -0.00
    26   6    -0.03  -0.06   0.06    -0.00  -0.00   0.00    -0.04  -0.09   0.08
    27   6    -0.03   0.18  -0.13     0.00   0.00  -0.00     0.01   0.12  -0.09
    28   6     0.01  -0.00  -0.00     0.00  -0.00   0.00     0.01  -0.00  -0.00
    29   6    -0.12  -0.14   0.13    -0.00  -0.00   0.00    -0.06  -0.11   0.09
    30   6     0.00   0.07  -0.06     0.00   0.00  -0.00     0.01   0.10  -0.08
    31   6     0.06  -0.04   0.06    -0.00   0.00  -0.00    -0.08   0.06  -0.08
    32   6    -0.06   0.17  -0.14     0.00  -0.00   0.00     0.07  -0.10   0.10
    33   6    -0.01  -0.01  -0.00     0.00   0.00  -0.00     0.00   0.00   0.00
    34   6     0.17  -0.06   0.13    -0.00   0.00  -0.00    -0.10   0.07  -0.10
    35   6    -0.04   0.06  -0.06     0.00  -0.00   0.00     0.06  -0.08   0.08
    36   6     0.00   0.00  -0.00     0.02   0.12  -0.10    -0.00  -0.00   0.00
    37   6    -0.00  -0.00   0.00    -0.10  -0.16   0.14     0.00   0.00  -0.00
    38   6     0.00  -0.00   0.00     0.01  -0.00   0.00    -0.00   0.00  -0.00
    39   6     0.00   0.00  -0.00     0.00   0.19  -0.14    -0.00  -0.00   0.00
    40   6    -0.00  -0.00   0.00    -0.05  -0.11   0.09     0.00   0.00  -0.00
    41   7     0.01   0.01  -0.00    -0.00  -0.00   0.00    -0.01  -0.01   0.00
    42   7    -0.01   0.00   0.00    -0.00   0.00  -0.00    -0.02   0.01  -0.00
    43   7    -0.00   0.00   0.00    -0.02   0.01  -0.00     0.00  -0.00   0.00
    44   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.01   0.01   0.00
    45   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    46   6    -0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    47   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.01  -0.00  -0.00
    48   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.01  -0.00   0.00
    49   6     0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    50   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    51   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.01  -0.00
    52   6    -0.00   0.00  -0.00    -0.01   0.01   0.00     0.00  -0.00  -0.00
    53   6     0.00   0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    54   6     0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    55   6    -0.00   0.00   0.00    -0.01  -0.00  -0.00     0.00   0.00   0.00
    56   6     0.01  -0.00  -0.00     0.00  -0.00   0.00     0.01  -0.00  -0.00
    57   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.01  -0.00  -0.00
    58   6    -0.00   0.00   0.00     0.00   0.00   0.00    -0.00   0.01   0.00
    59   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.01  -0.01  -0.00
    60   6     0.01   0.00   0.00     0.00  -0.00   0.00     0.01  -0.00   0.00
    61   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.01  -0.00
    62   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.01   0.00   0.00
    63   6     0.01  -0.00   0.00     0.00  -0.00   0.00     0.01  -0.00   0.00
    64   6    -0.01  -0.00   0.00     0.00   0.00  -0.00     0.01   0.01  -0.00
    65   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.01  -0.00
    66   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.01   0.00   0.00
    67   6    -0.01  -0.00   0.00     0.00   0.00  -0.00     0.01   0.01  -0.00
    68   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.01   0.00
    69   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.01  -0.00
    70   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.01  -0.00   0.00
    71   6    -0.00  -0.01   0.00     0.00   0.00  -0.00     0.01   0.01  -0.00
    72   6     0.00  -0.00   0.00     0.02  -0.01   0.00    -0.00   0.00   0.00
    73   6    -0.00  -0.00  -0.00    -0.01  -0.00  -0.00    -0.00   0.00   0.00
    74   6     0.00   0.00   0.00     0.00   0.01   0.00     0.00  -0.00  -0.00
    75   6     0.00  -0.00  -0.00     0.01  -0.01  -0.00    -0.00   0.00   0.00
    76   6     0.00  -0.00   0.00     0.01   0.00   0.00    -0.00  -0.00  -0.00
    77   6    -0.00  -0.00  -0.00    -0.01  -0.01  -0.00     0.00   0.00   0.00
    78   6    -0.00   0.00   0.00    -0.01   0.00   0.00    -0.00   0.00  -0.00
    79   6     0.00  -0.00   0.00     0.02  -0.00   0.00    -0.00  -0.00  -0.00
    80   1    -0.00  -0.02   0.01    -0.02  -0.02  -0.00    -0.00   0.00   0.00
    81   1    -0.02  -0.05  -0.00    -0.02  -0.00  -0.00     0.01  -0.05  -0.00
    82   1     0.14  -0.09   0.02    -0.00  -0.01  -0.00    -0.03  -0.08   0.00
    83   1    -0.01  -0.00  -0.02     0.01  -0.02   0.00    -0.03   0.03   0.00
    84   1     0.04  -0.05  -0.00    -0.02  -0.01   0.00    -0.01   0.04   0.00
    85   1     0.02   0.01  -0.01    -0.00   0.02  -0.00    -0.01  -0.04  -0.01
    86   1    -0.07  -0.16   0.00    -0.01   0.01  -0.00    -0.04   0.03   0.00
    87   1     0.01   0.01   0.02    -0.22  -0.03   0.01     0.00  -0.00  -0.00
    88   1     0.01  -0.03  -0.02    -0.01   0.16  -0.01    -0.00  -0.00   0.00
    89   1    -0.01   0.02  -0.00    -0.28  -0.11  -0.02     0.00   0.00   0.00
    90   1     0.06  -0.14   0.08     0.00  -0.00   0.01     0.12  -0.23   0.14
    91   1     0.11   0.21  -0.18     0.01   0.00  -0.01     0.25   0.16  -0.18
    92   1    -0.02  -0.24   0.17     0.01  -0.01   0.01     0.12  -0.26   0.18
    93   1     0.13   0.10  -0.07     0.01   0.00  -0.01     0.23   0.13  -0.14
    94   1     0.02  -0.15   0.08     0.00   0.01  -0.01    -0.01   0.26  -0.14
    95   1    -0.20   0.13  -0.18     0.01   0.00   0.01     0.29  -0.02   0.18
    96   1     0.14  -0.19   0.17     0.00   0.01  -0.01    -0.02   0.27  -0.18
    97   1    -0.16   0.02  -0.06     0.01   0.00   0.01     0.25   0.00   0.14
    98   1     0.01   0.01   0.00     0.27   0.17  -0.16    -0.01  -0.00   0.00
    99   1     0.00  -0.01   0.00     0.12  -0.35   0.25    -0.00   0.01  -0.01
   100   1     0.00   0.00  -0.01     0.27   0.22  -0.25    -0.01  -0.00   0.01
   101   1     0.00   0.00   0.01     0.14  -0.25   0.19    -0.00   0.01  -0.00
   102   1     0.01   0.00  -0.00     0.00   0.00   0.00     0.02   0.01   0.00
   103   1    -0.01   0.00   0.00    -0.00   0.00   0.00    -0.01   0.01   0.00
   104   1    -0.00   0.01  -0.00    -0.00   0.00   0.00    -0.01   0.01  -0.00
   105   1     0.00  -0.01   0.01     0.00   0.00   0.00     0.02   0.00   0.01
   106   1     0.01   0.00  -0.01     0.00  -0.00  -0.00     0.01  -0.01  -0.01
   107   1    -0.01  -0.00   0.00    -0.00  -0.00  -0.00    -0.01  -0.00   0.00
   108   1    -0.01  -0.00  -0.00    -0.00  -0.00  -0.00    -0.02  -0.00  -0.00
   109   1     0.01  -0.01   0.00     0.00  -0.00  -0.00     0.01  -0.02  -0.00
   110   1    -0.00  -0.01   0.00     0.00   0.00   0.00     0.00   0.02   0.00
   111   1     0.01   0.00  -0.00    -0.00  -0.00   0.00    -0.01  -0.01   0.00
   112   1     0.01   0.00   0.00    -0.00  -0.00   0.00    -0.01  -0.00  -0.00
   113   1    -0.01  -0.00  -0.01     0.00   0.00   0.00     0.00   0.01   0.01
   114   1     0.00  -0.01   0.01     0.00   0.00  -0.00     0.01   0.00  -0.01
   115   1     0.00   0.01  -0.00    -0.00  -0.00  -0.00    -0.00  -0.01   0.00
   116   1     0.00   0.01   0.00    -0.00  -0.00  -0.00    -0.01  -0.01  -0.00
   117   1    -0.01  -0.00  -0.00     0.00   0.00  -0.00     0.02   0.01  -0.00
   118   1     0.00   0.00   0.00     0.03   0.01   0.00    -0.00   0.00   0.00
   119   1    -0.00   0.00   0.00    -0.02   0.01   0.00    -0.00   0.00  -0.00
   120   1    -0.00   0.00  -0.00    -0.01   0.01  -0.00     0.00  -0.00   0.00
   121   1     0.00   0.00   0.00     0.02   0.00   0.01     0.00   0.00  -0.00
   122   1     0.00  -0.00   0.00     0.01  -0.01  -0.01    -0.00  -0.00  -0.00
   123   1    -0.00  -0.00  -0.00    -0.01  -0.00   0.00     0.00   0.00  -0.00
   124   1    -0.00  -0.00  -0.00    -0.02  -0.00  -0.00    -0.00  -0.00   0.00
   125   1     0.00  -0.00  -0.00     0.02  -0.02  -0.00    -0.00  -0.00  -0.00
   126  17     0.00   0.00  -0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
                    199                    200                    201
                      A                      A                      A
 Frequencies --   1044.4302              1048.2655              1048.4651
 Red. masses --      2.7662                 2.1627                 2.1654
 Frc consts  --      1.7779                 1.4002                 1.4025
 IR Inten    --      0.0215                 3.3378                 3.9854
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06  -0.07   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     2   6     0.01  -0.03   0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
     3   6    -0.04   0.11  -0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
     4   6    -0.00   0.01  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     5   6     0.09  -0.04  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     6   6    -0.02   0.02   0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
     7   6    -0.02   0.12  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
     8   6    -0.01   0.01  -0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
     9   6    -0.01   0.01  -0.00     0.00  -0.00   0.00     0.00   0.00   0.00
    10   6     0.00   0.01  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    11   6    -0.00  -0.03   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    12   6     0.09  -0.03   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    13   6     0.01   0.03  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    14   6    -0.06  -0.08   0.00     0.00   0.00  -0.00     0.00   0.00   0.00
    15   7    -0.00  -0.01  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    16   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    17   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    18   7     0.01  -0.01   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    19   6     0.00   0.01  -0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    20   6    -0.00  -0.01   0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    21   6    -0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    22   6    -0.00   0.01  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    23   6    -0.05  -0.05   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    24   6     0.07  -0.02   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    25   6    -0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    26   6     0.03   0.09  -0.07    -0.00  -0.00   0.00    -0.00  -0.01   0.00
    27   6    -0.04  -0.05   0.04     0.00   0.00  -0.00     0.00   0.00   0.00
    28   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.01  -0.00  -0.00
    29   6    -0.01   0.06  -0.04     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    30   6    -0.02  -0.09   0.07     0.00   0.00  -0.00    -0.00   0.01  -0.00
    31   6    -0.07   0.06  -0.07     0.01  -0.00   0.00     0.00  -0.00   0.00
    32   6     0.06  -0.02   0.04    -0.00   0.00   0.00    -0.00   0.00  -0.00
    33   6     0.00   0.00   0.00    -0.01  -0.01   0.00     0.00   0.00  -0.00
    34   6    -0.02   0.06  -0.04     0.00  -0.00  -0.00     0.00  -0.00   0.00
    35   6     0.06  -0.07   0.07    -0.00   0.01  -0.00    -0.00   0.00  -0.00
    36   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    37   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    38   6     0.00  -0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    39   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    40   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    41   7    -0.01  -0.01   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    42   7     0.02  -0.01   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    43   7    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
    44   6     0.01  -0.01  -0.00    -0.00   0.00   0.00     0.01   0.01   0.00
    45   6     0.00  -0.00   0.00    -0.00   0.00   0.00    -0.03   0.01   0.00
    46   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.03   0.01  -0.00
    47   6     0.02   0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.02  -0.00
    48   6    -0.02  -0.01   0.00     0.00  -0.02  -0.00     0.00   0.00  -0.00
    49   6    -0.00  -0.00  -0.00     0.02   0.02  -0.00    -0.00  -0.00   0.00
    50   6    -0.00  -0.00   0.00     0.02   0.02   0.00    -0.00  -0.00  -0.00
    51   6    -0.01  -0.02  -0.00    -0.02   0.01   0.00     0.00   0.00   0.00
    52   6    -0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    53   6     0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
    54   6     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    55   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    56   6    -0.01   0.00  -0.00     0.00  -0.00  -0.00     0.04  -0.09  -0.02
    57   6     0.01   0.00   0.00     0.00   0.00   0.00     0.13   0.02   0.02
    58   6    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.04   0.13   0.03
    59   6    -0.01   0.00   0.00    -0.00  -0.00  -0.00    -0.07  -0.03  -0.01
    60   6    -0.01   0.00  -0.00    -0.00   0.00   0.00    -0.05   0.06   0.01
    61   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.10  -0.09  -0.03
    62   6     0.01  -0.01  -0.00     0.00  -0.00  -0.00     0.10  -0.08  -0.01
    63   6    -0.01   0.01   0.00     0.00   0.00   0.00     0.07   0.06   0.02
    64   6     0.01   0.01   0.00    -0.09   0.01   0.02     0.00  -0.00  -0.00
    65   6    -0.00  -0.01  -0.00    -0.04  -0.12  -0.01     0.00   0.00   0.00
    66   6    -0.00   0.00   0.00     0.13  -0.03  -0.03    -0.00   0.00   0.00
    67   6     0.01   0.01  -0.00     0.01   0.08   0.01    -0.00  -0.00  -0.00
    68   6     0.01   0.01   0.00     0.08   0.01  -0.01    -0.00  -0.00   0.00
    69   6     0.00  -0.00  -0.00    -0.03   0.13   0.03     0.00  -0.00  -0.00
    70   6    -0.01  -0.00   0.00    -0.12  -0.04   0.02     0.00   0.00  -0.00
    71   6     0.01   0.01  -0.00     0.01  -0.09  -0.02    -0.00   0.00   0.00
    72   6     0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    73   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    74   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    75   6     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    76   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    77   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    78   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    79   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    80   1    -0.00  -0.01   0.01    -0.00   0.00  -0.00     0.00   0.00   0.00
    81   1    -0.01  -0.10  -0.01     0.00   0.01  -0.00     0.00   0.00   0.00
    82   1     0.08  -0.12   0.01    -0.00   0.01  -0.00    -0.00   0.00  -0.00
    83   1    -0.03   0.01  -0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    84   1     0.05  -0.08  -0.01    -0.00   0.00   0.00    -0.00   0.01  -0.00
    85   1     0.04   0.03   0.01    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    86   1    -0.02  -0.13   0.00     0.00   0.00  -0.00    -0.00   0.01  -0.00
    87   1     0.01   0.01   0.01    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    88   1     0.01  -0.02  -0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    89   1     0.00   0.01  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    90   1    -0.14   0.23  -0.14     0.00  -0.01   0.00     0.00  -0.01   0.02
    91   1    -0.27  -0.07   0.13     0.01   0.00  -0.00    -0.01  -0.01  -0.02
    92   1    -0.19   0.20  -0.13     0.01  -0.00   0.00    -0.00   0.02   0.02
    93   1    -0.24  -0.12   0.15     0.01   0.00  -0.00     0.01   0.00  -0.01
    94   1     0.01   0.27  -0.15     0.00  -0.00   0.01    -0.00  -0.01   0.00
    95   1     0.28   0.07   0.13     0.01  -0.01  -0.01    -0.01  -0.00  -0.00
    96   1     0.07   0.27  -0.14    -0.01   0.02   0.01    -0.00  -0.01   0.00
    97   1     0.27   0.02   0.15    -0.00   0.00  -0.01    -0.01  -0.00  -0.00
    98   1     0.01   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    99   1     0.01  -0.01   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
   100   1     0.01   0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
   101   1     0.00  -0.00   0.01    -0.00   0.00  -0.00     0.00  -0.00   0.00
   102   1    -0.03  -0.02  -0.01    -0.00  -0.01  -0.00    -0.13  -0.36  -0.11
   103   1     0.02  -0.01  -0.00     0.00  -0.00  -0.00     0.20  -0.08  -0.00
   104   1     0.00  -0.00  -0.00    -0.01   0.00   0.00    -0.22   0.14   0.03
   105   1    -0.03  -0.02  -0.01    -0.01  -0.01  -0.00    -0.26  -0.30  -0.14
   106   1    -0.01   0.03   0.01    -0.00   0.01   0.00    -0.07   0.38   0.13
   107   1     0.00   0.00   0.00    -0.01  -0.00  -0.00    -0.26  -0.01  -0.04
   108   1     0.03   0.00   0.00     0.00  -0.00   0.00     0.21  -0.03   0.01
   109   1    -0.01   0.03   0.01     0.00   0.01   0.00     0.07   0.37   0.11
   110   1    -0.00   0.03   0.01    -0.25   0.29   0.10     0.01  -0.01  -0.00
   111   1    -0.02  -0.01   0.00    -0.17  -0.13   0.01     0.00   0.00  -0.00
   112   1    -0.01  -0.00   0.00     0.23   0.11  -0.04    -0.00  -0.00   0.00
   113   1    -0.00   0.03   0.01    -0.13   0.38   0.13     0.00  -0.01  -0.00
   114   1     0.03  -0.00  -0.01     0.37  -0.14  -0.13    -0.01   0.00   0.00
   115   1    -0.00  -0.01  -0.00     0.11   0.23   0.03    -0.00  -0.00  -0.00
   116   1    -0.01  -0.02  -0.00    -0.13  -0.17  -0.00     0.00   0.00   0.00
   117   1     0.03  -0.00  -0.01     0.29  -0.25  -0.11    -0.01   0.01   0.00
   118   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.01  -0.00
   119   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.01  -0.00  -0.00
   120   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.01   0.01   0.00
   121   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.01  -0.01  -0.00
   122   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.01   0.00
   123   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.01  -0.00  -0.00
   124   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.01  -0.00   0.00
   125   1     0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.01   0.00
   126  17     0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
                    202                    203                    204
                      A                      A                      A
 Frequencies --   1048.6303              1052.2432              1055.4111
 Red. masses --      2.1537                 2.4126                 1.7915
 Frc consts  --      1.3953                 1.5739                 1.1757
 IR Inten    --      3.5453                 1.5030                 6.9661
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00     0.01   0.00   0.00    -0.00   0.00   0.00
     2   6    -0.00   0.00   0.00     0.04  -0.01  -0.00    -0.00   0.00  -0.00
     3   6     0.00   0.00  -0.00    -0.01  -0.00   0.00     0.00  -0.00   0.00
     4   6     0.00   0.00  -0.00    -0.03  -0.04   0.00     0.00   0.00   0.00
     5   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
     6   6     0.00  -0.00  -0.00    -0.02   0.04   0.00     0.00  -0.00  -0.00
     7   6     0.00   0.00   0.00    -0.01  -0.00  -0.00     0.00  -0.00  -0.00
     8   6     0.00  -0.00   0.00    -0.04   0.01  -0.00     0.00  -0.00   0.00
     9   6     0.00   0.00  -0.00    -0.03   0.00   0.00     0.00  -0.00  -0.00
    10   6     0.00   0.00  -0.00    -0.02  -0.04   0.00    -0.00   0.00   0.00
    11   6    -0.00  -0.00  -0.00     0.03   0.03   0.00    -0.00  -0.00  -0.00
    12   6     0.00  -0.00   0.00     0.01   0.00  -0.00    -0.00   0.00   0.00
    13   6    -0.00   0.00  -0.00     0.00  -0.03  -0.00    -0.00   0.00  -0.00
    14   6    -0.00  -0.00   0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    15   7     0.00  -0.00   0.00    -0.00   0.02  -0.00    -0.00   0.00  -0.00
    16   6    -0.00  -0.00   0.00     0.02   0.01  -0.00    -0.00   0.00  -0.00
    17   6    -0.00   0.00  -0.00     0.05  -0.02   0.00     0.00  -0.00   0.00
    18   7    -0.00  -0.00   0.00     0.01   0.01  -0.00    -0.00   0.00  -0.00
    19   6    -0.00   0.00  -0.00     0.05  -0.03   0.00     0.00  -0.00   0.00
    20   6     0.00   0.01   0.00    -0.06  -0.12   0.00    -0.00  -0.00   0.00
    21   6     0.01  -0.01   0.00    -0.13   0.10  -0.00    -0.00   0.00  -0.00
    22   6    -0.00  -0.00   0.00     0.04   0.07  -0.00     0.00   0.00  -0.00
    23   6    -0.00  -0.00  -0.00     0.01   0.01   0.00    -0.00   0.00  -0.00
    24   6     0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
    25   6     0.01  -0.00   0.00    -0.14   0.04  -0.02    -0.00   0.00  -0.00
    26   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    27   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    28   6    -0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    29   6    -0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    30   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    31   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00   0.00   0.00
    32   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
    33   6    -0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.01
    34   6     0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
    35   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.01   0.00
    36   6    -0.00   0.00   0.00     0.02   0.08  -0.06     0.00   0.00  -0.00
    37   6    -0.00   0.00  -0.00     0.04  -0.04   0.01     0.00  -0.00   0.00
    38   6     0.01  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    39   6    -0.00  -0.00   0.00     0.06  -0.00  -0.01     0.00  -0.00  -0.00
    40   6    -0.00   0.00  -0.00    -0.04  -0.08   0.07    -0.00  -0.00   0.00
    41   7    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.03   0.03   0.01
    42   7    -0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00   0.00   0.00
    43   7     0.00  -0.00  -0.00    -0.02   0.01   0.00    -0.00   0.00   0.00
    44   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    45   6     0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    46   6     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    47   6    -0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.00   0.00
    48   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.01  -0.01   0.00
    49   6     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.02   0.07   0.02
    50   6     0.00   0.00   0.00     0.00   0.00  -0.00    -0.07   0.02   0.02
    51   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.01   0.01   0.00
    52   6     0.01   0.01   0.00    -0.01   0.01   0.00    -0.00   0.00   0.00
    53   6    -0.03   0.01   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    54   6    -0.03   0.01  -0.00    -0.01   0.00   0.00    -0.00   0.00   0.00
    55   6     0.00  -0.02  -0.00    -0.02  -0.01  -0.00    -0.00  -0.00  -0.00
    56   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    57   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
    58   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    59   6     0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
    60   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
    61   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    62   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    63   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    64   6    -0.00   0.00   0.00    -0.00  -0.00   0.00     0.07  -0.02  -0.02
    65   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.04   0.07   0.00
    66   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.11   0.02   0.03
    67   6     0.00   0.00   0.00    -0.00   0.00   0.00     0.03  -0.05  -0.01
    68   6     0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.05  -0.03  -0.01
    69   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.02   0.11   0.02
    70   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.06  -0.04   0.00
    71   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.02  -0.07  -0.02
    72   6     0.03  -0.09  -0.02     0.02  -0.02  -0.00     0.00  -0.00  -0.00
    73   6     0.13   0.02   0.01     0.01   0.00   0.00    -0.00  -0.00  -0.00
    74   6    -0.04   0.13   0.03    -0.01   0.02   0.01    -0.00   0.00   0.00
    75   6    -0.07  -0.03  -0.01     0.00  -0.01  -0.00     0.00  -0.00  -0.00
    76   6    -0.05   0.06   0.01     0.01   0.00   0.00     0.00  -0.00   0.00
    77   6    -0.10  -0.09  -0.03    -0.01  -0.01  -0.00    -0.00  -0.00  -0.00
    78   6     0.09  -0.09  -0.01    -0.00   0.00   0.00    -0.00   0.00   0.00
    79   6     0.07   0.06   0.02     0.02  -0.00   0.00     0.00  -0.00   0.00
    80   1    -0.00  -0.00  -0.00     0.04   0.05  -0.01    -0.00   0.00   0.00
    81   1    -0.00   0.00  -0.00     0.04  -0.02   0.01    -0.00   0.00   0.00
    82   1     0.00  -0.00   0.00     0.00   0.02   0.00     0.00   0.00  -0.00
    83   1     0.00  -0.00   0.00    -0.04   0.04  -0.01     0.00  -0.00   0.00
    84   1    -0.00  -0.00   0.00     0.03   0.02  -0.01    -0.00  -0.00   0.00
    85   1     0.00   0.00  -0.00    -0.02  -0.04   0.00     0.00   0.00   0.00
    86   1    -0.00  -0.00  -0.00     0.01   0.00  -0.00     0.00   0.00   0.00
    87   1    -0.02  -0.00   0.00     0.32   0.02  -0.02     0.00   0.00  -0.00
    88   1    -0.00   0.02  -0.00     0.06  -0.27   0.03     0.00  -0.00   0.00
    89   1    -0.03  -0.01  -0.00     0.48   0.16   0.01     0.00   0.00   0.00
    90   1    -0.00   0.00  -0.00    -0.01   0.00  -0.01    -0.00  -0.00   0.00
    91   1    -0.00   0.00   0.00    -0.01   0.00   0.00     0.00   0.00  -0.00
    92   1    -0.00  -0.00  -0.00    -0.01   0.00  -0.00     0.00  -0.00   0.00
    93   1    -0.00  -0.00   0.00    -0.00   0.00   0.01     0.00   0.00  -0.00
    94   1     0.00   0.00  -0.00    -0.00  -0.02   0.01     0.02   0.02  -0.01
    95   1     0.00   0.00   0.00    -0.01  -0.01  -0.01    -0.01  -0.00   0.01
    96   1     0.00   0.00  -0.00    -0.01  -0.02   0.01     0.01   0.01   0.00
    97   1     0.00   0.00   0.00    -0.02  -0.00  -0.01    -0.01  -0.02  -0.01
    98   1    -0.02  -0.01   0.00     0.26   0.10  -0.17     0.00   0.00  -0.00
    99   1    -0.02   0.03   0.00     0.21  -0.16   0.11     0.00  -0.00   0.00
   100   1    -0.04  -0.02  -0.01     0.31   0.02  -0.10     0.00   0.00  -0.00
   101   1    -0.01   0.02   0.00     0.15  -0.29   0.13     0.00  -0.00   0.00
   102   1     0.00   0.01   0.00    -0.00  -0.00  -0.00    -0.01  -0.01  -0.00
   103   1    -0.01   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
   104   1     0.01  -0.00  -0.00     0.00  -0.00  -0.00    -0.01   0.00   0.00
   105   1     0.01   0.01   0.00    -0.00  -0.00  -0.00    -0.01  -0.01  -0.00
   106   1     0.00  -0.01  -0.00    -0.00  -0.00  -0.00     0.00  -0.01  -0.00
   107   1     0.01   0.00   0.00     0.00   0.00   0.00     0.01  -0.00   0.00
   108   1    -0.01   0.00  -0.00    -0.00   0.00   0.00    -0.01  -0.00  -0.00
   109   1    -0.00  -0.01  -0.00    -0.00  -0.00  -0.00    -0.00  -0.01  -0.00
   110   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.25  -0.35  -0.12
   111   1    -0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.16   0.07  -0.02
   112   1     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.20  -0.11   0.03
   113   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.18  -0.36  -0.13
   114   1     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.36  -0.19  -0.14
   115   1     0.00   0.00   0.00     0.00   0.00   0.00     0.11   0.20   0.02
   116   1    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.07  -0.16  -0.01
   117   1     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.35  -0.25  -0.12
   118   1    -0.14  -0.35  -0.10     0.01  -0.04  -0.01     0.00  -0.00  -0.00
   119   1     0.20  -0.09  -0.00     0.01   0.00   0.00    -0.00   0.00   0.00
   120   1    -0.21   0.15   0.03    -0.04   0.03   0.01    -0.00   0.00   0.00
   121   1    -0.26  -0.29  -0.13    -0.01  -0.03  -0.01     0.00  -0.00  -0.00
   122   1    -0.06   0.40   0.13     0.01  -0.01   0.00     0.00  -0.00   0.00
   123   1    -0.26  -0.01  -0.04    -0.02  -0.00  -0.00    -0.00  -0.00  -0.00
   124   1     0.22  -0.03   0.01    -0.01  -0.01  -0.00    -0.00  -0.00  -0.00
   125   1     0.08   0.38   0.11     0.02  -0.01  -0.00     0.00  -0.00  -0.00
   126  17     0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
                    205                    206                    207
                      A                      A                      A
 Frequencies --   1055.5609              1055.7910              1065.1358
 Red. masses --      1.7924                 1.7934                 1.1252
 Frc consts  --      1.1766                 1.1779                 0.7521
 IR Inten    --      6.4273                 6.9231                38.6037
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00     0.00   0.00   0.00     0.00   0.00  -0.00
     2   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.01  -0.00   0.00
     3   6     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     4   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
     5   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
     6   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.01  -0.00
     7   6     0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
     8   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     9   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.01
    10   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.02
    11   6    -0.00  -0.00   0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    12   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00   0.00   0.00
    13   6     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00   0.02
    14   6     0.00   0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.03
    15   7    -0.00  -0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.08
    16   6    -0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00   0.02
    17   6     0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00   0.00   0.01
    18   7    -0.00   0.00   0.00     0.00   0.00  -0.00     0.00  -0.00  -0.01
    19   6     0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.02
    20   6    -0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00   0.01
    21   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
    22   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.01
    23   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    24   6    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    25   6    -0.00   0.00  -0.00    -0.01  -0.00   0.00     0.00  -0.00  -0.00
    26   6     0.01  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    27   6     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    28   6     0.00   0.00   0.01    -0.00   0.00   0.00     0.00   0.00  -0.00
    29   6     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    30   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    31   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    32   6     0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    33   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    34   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    35   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    36   6     0.00   0.00  -0.00    -0.00   0.01  -0.00     0.00   0.00  -0.00
    37   6     0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    38   6     0.00  -0.00  -0.00     0.00   0.00   0.01    -0.00  -0.00   0.00
    39   6     0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    40   6    -0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    41   7    -0.00   0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    42   7    -0.01  -0.04  -0.01    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    43   7    -0.00   0.00   0.00    -0.01  -0.04  -0.01     0.00  -0.00  -0.00
    44   6     0.01  -0.01  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    45   6    -0.05  -0.05  -0.02    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    46   6     0.02  -0.07  -0.02     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    47   6    -0.02   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    48   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    49   6    -0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    50   6    -0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    51   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    52   6    -0.00   0.00   0.00     0.01  -0.01  -0.00     0.00  -0.00  -0.00
    53   6     0.00   0.00   0.00    -0.05  -0.05  -0.02     0.00  -0.00   0.00
    54   6    -0.00   0.00   0.00     0.02  -0.07  -0.02     0.00  -0.00  -0.00
    55   6     0.00  -0.00   0.00    -0.02   0.00  -0.00     0.00   0.00   0.00
    56   6    -0.02   0.07   0.02    -0.00   0.00   0.00     0.00   0.00   0.00
    57   6    -0.08   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    58   6     0.04  -0.10  -0.03     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    59   6     0.03   0.05   0.02     0.00   0.00   0.00     0.00   0.00   0.00
    60   6     0.00   0.06   0.01    -0.00   0.00   0.00     0.00   0.00   0.00
    61   6    -0.09  -0.07  -0.03    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    62   6     0.07  -0.04  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    63   6     0.05   0.06   0.02     0.00   0.00   0.00     0.00   0.00   0.00
    64   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    65   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    66   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    67   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    68   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    69   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    70   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    71   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    72   6     0.00  -0.00  -0.00    -0.01   0.07   0.02    -0.00   0.00  -0.00
    73   6     0.00  -0.00   0.00    -0.08   0.00  -0.00     0.00   0.00   0.00
    74   6    -0.00   0.00   0.00     0.04  -0.11  -0.02     0.00  -0.00  -0.00
    75   6    -0.00  -0.00  -0.00     0.03   0.05   0.01    -0.00   0.00  -0.00
    76   6     0.00  -0.00  -0.00     0.00   0.06   0.01    -0.00   0.00  -0.00
    77   6     0.00   0.00   0.00    -0.09  -0.07  -0.03     0.00   0.00   0.00
    78   6    -0.00   0.00   0.00     0.06  -0.04  -0.00     0.00  -0.00  -0.00
    79   6    -0.00  -0.00  -0.00     0.05   0.05   0.02    -0.00   0.00  -0.00
    80   1    -0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00   0.03   0.94
    81   1    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.01  -0.00
    82   1     0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.01  -0.01
    83   1     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.01   0.00   0.00
    84   1    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    85   1     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.11
    86   1     0.00  -0.00   0.00     0.00   0.00  -0.00    -0.01   0.01   0.26
    87   1     0.00   0.00  -0.00     0.01   0.00   0.00    -0.00   0.00   0.15
    88   1     0.00  -0.00   0.00     0.00  -0.01  -0.00    -0.00   0.01  -0.04
    89   1     0.00   0.00   0.00     0.02   0.01  -0.00    -0.01  -0.00   0.02
    90   1     0.02  -0.01   0.01    -0.00   0.00  -0.00    -0.00   0.01  -0.00
    91   1    -0.01  -0.00  -0.01    -0.00   0.00   0.00     0.00  -0.00  -0.00
    92   1     0.01  -0.01  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    93   1    -0.02   0.01   0.01    -0.00   0.00   0.00    -0.00  -0.00   0.00
    94   1     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.01   0.00
    95   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    96   1     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.01   0.00
    97   1     0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.01  -0.00  -0.00
    98   1     0.00   0.00  -0.00    -0.01   0.01   0.01     0.00   0.00   0.00
    99   1     0.00  -0.00   0.00     0.02  -0.01  -0.00    -0.00  -0.00  -0.00
   100   1     0.00   0.00  -0.00    -0.00  -0.00  -0.01     0.00   0.00   0.00
   101   1     0.00  -0.00   0.00     0.03  -0.02   0.02    -0.00  -0.00  -0.00
   102   1     0.18   0.39   0.12     0.00   0.00   0.00     0.00   0.00   0.00
   103   1    -0.14   0.10   0.01    -0.00   0.00   0.00    -0.00   0.00   0.00
   104   1     0.20  -0.11  -0.02     0.00  -0.00  -0.00     0.00  -0.00  -0.00
   105   1     0.21   0.34   0.14     0.00   0.00   0.00     0.00   0.00   0.00
   106   1    -0.02   0.40   0.14    -0.00   0.00   0.00     0.00   0.00   0.00
   107   1    -0.23   0.00  -0.03    -0.00   0.00  -0.00    -0.00   0.00   0.00
   108   1     0.17   0.02   0.02     0.00   0.00   0.00     0.00   0.00   0.00
   109   1     0.04   0.43   0.12     0.00   0.00   0.00     0.00   0.00   0.00
   110   1     0.01  -0.01  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
   111   1     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
   112   1    -0.01  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
   113   1     0.01  -0.01  -0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
   114   1     0.01  -0.01  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
   115   1     0.00   0.01   0.00     0.00   0.00   0.00     0.00   0.00   0.00
   116   1    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
   117   1     0.01  -0.01  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
   118   1    -0.00  -0.00  -0.00     0.19   0.39   0.12    -0.00  -0.00   0.00
   119   1     0.00  -0.00  -0.00    -0.14   0.11   0.01     0.00  -0.00   0.00
   120   1    -0.00   0.00   0.00     0.20  -0.12  -0.02     0.00  -0.00   0.00
   121   1    -0.00  -0.00  -0.00     0.23   0.33   0.14    -0.00  -0.00   0.00
   122   1     0.00  -0.00  -0.00    -0.01   0.40   0.13    -0.00   0.00   0.00
   123   1     0.00  -0.00   0.00    -0.23   0.01  -0.03     0.00   0.00   0.00
   124   1    -0.00  -0.00  -0.00     0.17   0.01   0.02     0.00   0.00   0.00
   125   1    -0.00  -0.00  -0.00     0.05   0.43   0.12    -0.00   0.00   0.00
   126  17    -0.00  -0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.01
                    208                    209                    210
                      A                      A                      A
 Frequencies --   1067.6608              1082.0338              1100.5562
 Red. masses --      3.9822                 2.0580                 2.8460
 Frc consts  --      2.6745                 1.4196                 2.0310
 IR Inten    --     25.4133                 3.7960                49.3571
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.09  -0.03  -0.00    -0.08  -0.03   0.00     0.07   0.03  -0.00
     2   6    -0.15   0.08   0.00    -0.02   0.09  -0.00    -0.05  -0.05   0.00
     3   6     0.07   0.02  -0.00     0.05  -0.04   0.00     0.00  -0.04   0.00
     4   6     0.09   0.11  -0.00    -0.02  -0.03   0.00     0.11   0.08  -0.00
     5   6     0.01   0.02   0.00    -0.00   0.05  -0.00    -0.04  -0.02   0.00
     6   6     0.09  -0.17   0.00     0.07  -0.07   0.00    -0.02  -0.01  -0.00
     7   6     0.07  -0.00   0.00    -0.03  -0.07   0.00    -0.04   0.01   0.00
     8   6     0.14  -0.05   0.00    -0.03  -0.00   0.00     0.13  -0.02   0.00
     9   6     0.06  -0.08   0.00     0.02  -0.02   0.00     0.08  -0.08   0.00
    10   6     0.01   0.10  -0.00    -0.02  -0.06   0.00     0.01   0.09  -0.00
    11   6    -0.10  -0.13  -0.00     0.01   0.10  -0.00    -0.07   0.07  -0.00
    12   6    -0.08  -0.01   0.00     0.05   0.01   0.00     0.10   0.01   0.00
    13   6    -0.01   0.17   0.00    -0.02  -0.11   0.00    -0.05  -0.05   0.00
    14   6     0.02  -0.00  -0.00    -0.00   0.05  -0.00    -0.05   0.02  -0.00
    15   7    -0.05  -0.04  -0.01     0.02   0.03  -0.00    -0.03  -0.03   0.00
    16   6    -0.06   0.03   0.00     0.02   0.00   0.00    -0.06   0.03  -0.00
    17   6    -0.05  -0.07   0.00     0.00   0.01  -0.00    -0.06  -0.05   0.00
    18   7    -0.06   0.02  -0.00    -0.01   0.02  -0.00    -0.05   0.03  -0.00
    19   6     0.03   0.01  -0.00    -0.01  -0.02   0.00     0.02   0.00   0.00
    20   6    -0.00  -0.05   0.00    -0.01   0.01  -0.00     0.01  -0.01   0.00
    21   6    -0.03   0.04  -0.00     0.00   0.00   0.00     0.00   0.01  -0.00
    22   6     0.04   0.02  -0.00     0.00  -0.01   0.00     0.02  -0.00  -0.00
    23   6    -0.07  -0.07  -0.01    -0.07  -0.07  -0.01     0.08   0.07   0.01
    24   6    -0.09   0.02   0.01     0.06  -0.01  -0.01     0.14  -0.03  -0.01
    25   6    -0.04   0.01  -0.01     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    26   6    -0.01  -0.03   0.02     0.01   0.01  -0.01     0.02   0.02  -0.02
    27   6     0.03  -0.01   0.01    -0.02   0.02  -0.01    -0.03   0.03  -0.02
    28   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.01   0.01  -0.00
    29   6     0.04  -0.00  -0.01    -0.02  -0.01   0.01    -0.06  -0.01   0.02
    30   6     0.00   0.03  -0.02    -0.00  -0.02   0.01     0.00  -0.04   0.03
    31   6    -0.02   0.02  -0.02    -0.02   0.01  -0.01     0.02  -0.01   0.01
    32   6     0.02   0.03  -0.01     0.01   0.03  -0.01    -0.01  -0.03   0.01
    33   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.01   0.00
    34   6     0.04   0.02   0.01     0.04   0.01   0.01    -0.04  -0.01  -0.02
    35   6     0.02  -0.03   0.03     0.01  -0.02   0.02    -0.01   0.02  -0.02
    36   6     0.00   0.01  -0.01    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    37   6     0.01   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    38   6     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    39   6     0.01  -0.01   0.01    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    40   6    -0.01  -0.01   0.01     0.00  -0.00   0.00     0.00   0.00   0.00
    41   7    -0.01  -0.01   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    42   7    -0.01   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    43   7    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    44   6    -0.01   0.01   0.00     0.00  -0.00  -0.00     0.01  -0.01  -0.00
    45   6    -0.00   0.00   0.00     0.00  -0.00   0.00     0.01   0.00   0.00
    46   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.01  -0.00  -0.00
    47   6    -0.01  -0.00  -0.00     0.00   0.00   0.00     0.01   0.00   0.00
    48   6    -0.01  -0.00   0.00    -0.01  -0.00   0.00     0.01   0.00  -0.00
    49   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.01   0.00
    50   6    -0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    51   6    -0.00  -0.01  -0.00    -0.00  -0.01  -0.00     0.00   0.01   0.00
    52   6    -0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    53   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    54   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    55   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
    56   6     0.01  -0.01  -0.00    -0.00   0.00   0.00    -0.01   0.01   0.00
    57   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    58   6    -0.00   0.01   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    59   6     0.01  -0.00  -0.00    -0.00   0.00   0.00    -0.01   0.00   0.00
    60   6     0.01  -0.00   0.00    -0.00   0.00  -0.00    -0.01   0.00  -0.00
    61   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    62   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    63   6     0.01  -0.00   0.00    -0.00   0.00  -0.00    -0.01   0.00  -0.00
    64   6     0.01   0.01  -0.00     0.01   0.00  -0.00    -0.01  -0.01   0.00
    65   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    66   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    67   6     0.01   0.00  -0.00     0.00   0.00  -0.00    -0.01  -0.01   0.00
    68   6     0.00   0.01   0.00     0.00   0.00   0.00    -0.00  -0.01  -0.00
    69   6     0.00  -0.01  -0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
    70   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    71   6     0.01   0.01   0.00     0.00   0.01   0.00    -0.01  -0.01  -0.00
    72   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
    73   6    -0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    74   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    75   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
    76   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    77   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    78   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    79   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    80   1    -0.16  -0.07   0.09     0.02   0.06   0.01    -0.18  -0.07  -0.00
    81   1    -0.12   0.23  -0.02     0.09   0.51   0.01    -0.07  -0.13   0.00
    82   1     0.05   0.16  -0.01     0.09   0.40  -0.01    -0.13  -0.36   0.01
    83   1     0.25  -0.13   0.02     0.25  -0.03   0.00    -0.06  -0.02   0.00
    84   1    -0.05  -0.19   0.03    -0.24   0.36   0.01    -0.28   0.29   0.00
    85   1     0.15   0.22  -0.02    -0.24  -0.17  -0.00    -0.26  -0.11  -0.01
    86   1     0.04  -0.02   0.02    -0.10   0.15   0.01    -0.26   0.22   0.00
    87   1     0.24   0.06   0.01    -0.02  -0.02  -0.00     0.13   0.03  -0.01
    88   1     0.04  -0.11   0.01    -0.04   0.04   0.00     0.00  -0.00   0.00
    89   1     0.40   0.09   0.02    -0.01  -0.01   0.00     0.25   0.04   0.01
    90   1     0.08  -0.09   0.07    -0.04   0.05  -0.03    -0.11   0.14  -0.07
    91   1     0.10  -0.01  -0.02    -0.05   0.01   0.00    -0.10   0.03   0.00
    92   1     0.13  -0.06   0.04    -0.06   0.02  -0.01    -0.15   0.06  -0.02
    93   1     0.11   0.04  -0.07    -0.08  -0.05   0.02    -0.16  -0.09   0.05
    94   1     0.03   0.12  -0.08     0.02   0.11  -0.06    -0.02  -0.12   0.06
    95   1     0.09   0.06   0.03     0.06   0.06   0.01    -0.06  -0.05  -0.00
    96   1     0.09   0.12  -0.04     0.07   0.09  -0.01    -0.08  -0.10   0.02
    97   1     0.13   0.01   0.07     0.15  -0.00   0.03    -0.12  -0.00  -0.04
    98   1     0.05   0.01  -0.03    -0.01  -0.00  -0.00    -0.00  -0.00  -0.00
    99   1     0.04  -0.01   0.01    -0.00   0.00   0.00     0.00   0.00  -0.00
   100   1     0.05  -0.00  -0.00     0.00   0.00  -0.00    -0.01   0.00   0.01
   101   1     0.03  -0.08   0.00    -0.00   0.00  -0.00     0.01  -0.02  -0.01
   102   1     0.01  -0.01  -0.00    -0.00   0.00   0.00    -0.01   0.01   0.00
   103   1    -0.01   0.01   0.00     0.00  -0.00  -0.00     0.02  -0.02  -0.00
   104   1    -0.02   0.01   0.00     0.01  -0.00  -0.00     0.03  -0.01   0.00
   105   1     0.01   0.00  -0.00    -0.01  -0.00   0.00    -0.02  -0.01  -0.00
   106   1     0.01  -0.02  -0.00    -0.00   0.01   0.00    -0.01   0.03   0.01
   107   1    -0.01   0.00  -0.00     0.01  -0.00   0.00     0.02  -0.01   0.00
   108   1    -0.01  -0.00  -0.00     0.01   0.00   0.00     0.03   0.01   0.01
   109   1     0.01  -0.01  -0.00    -0.01   0.00   0.00    -0.01   0.00   0.00
   110   1     0.00   0.02   0.00     0.00   0.01   0.00    -0.01  -0.01  -0.00
   111   1    -0.01  -0.00   0.00    -0.01  -0.00   0.00     0.02   0.00  -0.00
   112   1    -0.01  -0.01   0.00    -0.01  -0.01   0.00     0.01   0.01  -0.00
   113   1    -0.00   0.02   0.00    -0.00   0.01   0.00     0.00  -0.02  -0.00
   114   1     0.01   0.00   0.00     0.01   0.00  -0.00    -0.02  -0.00   0.00
   115   1    -0.01  -0.01  -0.00    -0.01  -0.01  -0.00     0.01   0.01  -0.00
   116   1    -0.00  -0.01  -0.00    -0.00  -0.01  -0.00     0.00   0.02   0.00
   117   1     0.00   0.01   0.00     0.00   0.01   0.00    -0.00  -0.01  -0.00
   118   1     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
   119   1    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
   120   1    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
   121   1     0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
   122   1     0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
   123   1    -0.01   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
   124   1    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
   125   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
   126  17     0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
                    211                    212                    213
                      A                      A                      A
 Frequencies --   1129.1449              1129.2966              1129.4112
 Red. masses --      2.0924                 2.1002                 2.0884
 Frc consts  --      1.5718                 1.5780                 1.5695
 IR Inten    --      4.8317                25.7262                 4.8742
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.01   0.00    -0.00  -0.00   0.00    -0.01  -0.00   0.00
     2   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     3   6     0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     4   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     5   6     0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
     6   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     7   6     0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
     8   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     9   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.01  -0.00
    10   6    -0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    11   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.01  -0.00
    12   6     0.01  -0.00   0.00    -0.01   0.00  -0.00    -0.01   0.00  -0.00
    13   6     0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.01   0.00
    14   6    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    15   7     0.00   0.00   0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
    16   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    17   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    18   7     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    19   6    -0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    20   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    21   6    -0.00   0.00  -0.00    -0.01   0.01  -0.00     0.01  -0.00   0.00
    22   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
    23   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    24   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.01   0.00   0.00
    25   6     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    26   6    -0.01  -0.00   0.01     0.01   0.00  -0.01     0.03   0.01  -0.01
    27   6    -0.00  -0.01   0.00     0.00   0.01  -0.00     0.00   0.01  -0.01
    28   6     0.04  -0.01   0.00    -0.04   0.01  -0.00    -0.08   0.02  -0.00
    29   6     0.00   0.01  -0.00    -0.00  -0.00   0.00    -0.00  -0.01   0.01
    30   6    -0.01   0.01  -0.01     0.01  -0.01   0.01     0.02  -0.02   0.01
    31   6     0.03   0.01   0.01     0.00   0.00   0.00     0.01   0.00   0.01
    32   6     0.01  -0.01   0.01     0.00  -0.00   0.00     0.00  -0.00   0.00
    33   6    -0.06  -0.06   0.00    -0.01  -0.01   0.00    -0.03  -0.03   0.00
    34   6    -0.01   0.01  -0.01    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    35   6     0.01   0.03  -0.01     0.00   0.00  -0.00     0.00   0.01  -0.01
    36   6     0.00  -0.00   0.00     0.02  -0.02   0.01    -0.01   0.01  -0.01
    37   6    -0.00  -0.00   0.00    -0.01  -0.01   0.01     0.00   0.01  -0.00
    38   6    -0.01   0.00  -0.00    -0.09   0.03  -0.00     0.04  -0.01   0.00
    39   6     0.00   0.00  -0.00     0.00   0.01  -0.01     0.00  -0.01   0.00
    40   6     0.00   0.00  -0.00     0.03   0.01  -0.01    -0.01  -0.00   0.01
    41   7    -0.03  -0.03   0.00    -0.00  -0.00   0.00    -0.01  -0.01   0.00
    42   7     0.02  -0.00   0.00    -0.02   0.00  -0.00    -0.03   0.01  -0.00
    43   7    -0.00   0.00  -0.00    -0.03   0.01  -0.00     0.02  -0.01   0.00
    44   6    -0.02  -0.00  -0.00     0.02   0.00   0.00     0.03   0.00   0.01
    45   6    -0.04  -0.01  -0.01     0.04   0.01   0.01     0.08   0.02   0.01
    46   6    -0.03   0.03   0.00     0.03  -0.03  -0.00     0.06  -0.05  -0.01
    47   6    -0.02   0.01   0.00     0.02  -0.01  -0.00     0.03  -0.02  -0.00
    48   6     0.02   0.04   0.00     0.00   0.01   0.00     0.01   0.02   0.00
    49   6     0.03   0.09   0.01     0.00   0.01   0.00     0.01   0.04   0.00
    50   6     0.09   0.03  -0.01     0.01   0.00  -0.00     0.04   0.01  -0.01
    51   6     0.04   0.02  -0.01     0.01   0.00  -0.00     0.02   0.01  -0.00
    52   6     0.00   0.00   0.00     0.04  -0.00   0.01    -0.02   0.00  -0.00
    53   6     0.01   0.00   0.00     0.09   0.02   0.01    -0.04  -0.01  -0.01
    54   6     0.00  -0.00  -0.00     0.07  -0.06  -0.01    -0.03   0.03   0.00
    55   6     0.00  -0.00  -0.00     0.03  -0.02  -0.01    -0.02   0.01   0.00
    56   6     0.04  -0.03  -0.01    -0.03   0.03   0.00    -0.07   0.05   0.01
    57   6    -0.02   0.01   0.00     0.02  -0.01  -0.00     0.04  -0.02  -0.00
    58   6    -0.02   0.00   0.00     0.01  -0.00  -0.00     0.03  -0.01  -0.00
    59   6     0.05  -0.01  -0.00    -0.04   0.01   0.00    -0.09   0.02   0.00
    60   6     0.05  -0.01   0.00    -0.04   0.01  -0.00    -0.09   0.03  -0.00
    61   6    -0.02   0.00  -0.00     0.01  -0.00   0.00     0.03  -0.01   0.00
    62   6    -0.02  -0.00  -0.00     0.02   0.00   0.00     0.04   0.00   0.00
    63   6     0.05   0.01   0.01    -0.04  -0.01  -0.01    -0.09  -0.01  -0.01
    64   6    -0.09  -0.04   0.01    -0.01  -0.01   0.00    -0.04  -0.02   0.01
    65   6     0.04   0.02  -0.00     0.01   0.00  -0.00     0.02   0.01  -0.00
    66   6     0.02   0.02  -0.00     0.00   0.00  -0.00     0.01   0.01  -0.00
    67   6    -0.07  -0.07   0.00    -0.01  -0.01   0.00    -0.03  -0.03   0.00
    68   6    -0.07  -0.07   0.00    -0.01  -0.01   0.00    -0.03  -0.03   0.00
    69   6     0.02   0.02  -0.00     0.00   0.00   0.00     0.01   0.01  -0.00
    70   6     0.02   0.04   0.00     0.00   0.01   0.00     0.01   0.02   0.00
    71   6    -0.04  -0.09  -0.01    -0.01  -0.01  -0.00    -0.02  -0.04  -0.00
    72   6    -0.00   0.00   0.00    -0.08   0.06   0.01     0.03  -0.03  -0.00
    73   6     0.00  -0.00  -0.00     0.04  -0.03  -0.00    -0.02   0.01   0.00
    74   6     0.00  -0.00  -0.00     0.03  -0.01  -0.00    -0.01   0.00   0.00
    75   6    -0.01   0.00   0.00    -0.10   0.03   0.00     0.05  -0.01  -0.00
    76   6    -0.01   0.00  -0.00    -0.10   0.03  -0.00     0.05  -0.01   0.00
    77   6     0.00  -0.00   0.00     0.03  -0.01   0.00    -0.01   0.01  -0.00
    78   6     0.00  -0.00   0.00     0.05  -0.00   0.00    -0.02   0.00  -0.00
    79   6    -0.01  -0.00  -0.00    -0.10  -0.01  -0.01     0.05   0.01   0.01
    80   1     0.00   0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    81   1     0.00   0.03  -0.01    -0.00   0.01  -0.00     0.00   0.02  -0.00
    82   1     0.01   0.02  -0.00     0.00   0.01  -0.00     0.01   0.03  -0.00
    83   1     0.03   0.00   0.01     0.01   0.00   0.00     0.02   0.00   0.00
    84   1    -0.01   0.01  -0.00     0.01  -0.02   0.00     0.02  -0.03   0.01
    85   1    -0.00  -0.00   0.00     0.02   0.01  -0.00     0.05   0.02  -0.01
    86   1    -0.00  -0.00  -0.00     0.01  -0.01   0.00     0.01  -0.01   0.00
    87   1    -0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.01  -0.00   0.00
    88   1     0.00  -0.00   0.00     0.02  -0.02   0.01    -0.00   0.01  -0.00
    89   1     0.00   0.00  -0.00     0.03   0.01  -0.01    -0.03  -0.01   0.00
    90   1    -0.03   0.01  -0.00     0.03  -0.01   0.01     0.07  -0.02   0.01
    91   1    -0.06  -0.01   0.03     0.05   0.01  -0.03     0.10   0.02  -0.05
    92   1    -0.04   0.04  -0.03     0.04  -0.04   0.03     0.09  -0.08   0.06
    93   1    -0.03   0.01   0.00     0.03  -0.01  -0.00     0.06  -0.02  -0.01
    94   1     0.05   0.05  -0.01     0.01   0.01  -0.00     0.03   0.03  -0.01
    95   1     0.11   0.04   0.06     0.02   0.01   0.01     0.05   0.02   0.03
    96   1     0.04   0.12  -0.07     0.01   0.02  -0.01     0.02   0.06  -0.03
    97   1     0.05   0.05   0.01     0.01   0.01   0.00     0.02   0.02   0.00
    98   1     0.00  -0.00  -0.00     0.06  -0.02  -0.01    -0.03   0.01   0.00
    99   1     0.01  -0.01   0.00     0.08  -0.08   0.06    -0.04   0.04  -0.03
   100   1     0.01   0.00  -0.00     0.12   0.02  -0.06    -0.05  -0.01   0.03
   101   1     0.00  -0.00   0.00     0.07  -0.01   0.01    -0.03   0.01  -0.00
   102   1    -0.00  -0.10  -0.03     0.00   0.09   0.03     0.01   0.19   0.05
   103   1    -0.11   0.16   0.04     0.10  -0.15  -0.03     0.20  -0.30  -0.07
   104   1    -0.13   0.01  -0.01     0.12  -0.01   0.01     0.24  -0.01   0.02
   105   1     0.10   0.06   0.03    -0.09  -0.05  -0.03    -0.18  -0.10  -0.06
   106   1     0.06  -0.09  -0.03    -0.05   0.08   0.03    -0.10   0.17   0.05
   107   1    -0.11   0.06   0.01     0.10  -0.05  -0.01     0.21  -0.11  -0.01
   108   1    -0.17  -0.09  -0.04     0.16   0.08   0.04     0.32   0.16   0.07
   109   1     0.05   0.09   0.03    -0.04  -0.08  -0.03    -0.08  -0.16  -0.05
   110   1    -0.17   0.11   0.06    -0.03   0.02   0.01    -0.08   0.05   0.03
   111   1     0.40   0.02  -0.08     0.06   0.00  -0.01     0.18   0.01  -0.04
   112   1     0.15   0.22   0.01     0.02   0.03   0.00     0.07   0.10   0.01
   113   1    -0.00  -0.23  -0.06    -0.00  -0.03  -0.01    -0.00  -0.10  -0.03
   114   1    -0.23   0.00   0.06    -0.03   0.00   0.01    -0.10   0.00   0.03
   115   1     0.22   0.15  -0.02     0.03   0.02  -0.00     0.10   0.07  -0.01
   116   1     0.02   0.40   0.07     0.00   0.06   0.01     0.01   0.19   0.03
   117   1     0.11  -0.18  -0.05     0.02  -0.03  -0.01     0.05  -0.08  -0.03
   118   1     0.00   0.01   0.00     0.01   0.21   0.05    -0.01  -0.10  -0.03
   119   1     0.01  -0.02  -0.00     0.21  -0.34  -0.07    -0.10   0.16   0.03
   120   1     0.02  -0.00   0.00     0.26  -0.02   0.02    -0.12   0.01  -0.01
   121   1    -0.01  -0.01  -0.00    -0.20  -0.10  -0.06     0.09   0.05   0.03
   122   1    -0.01   0.01   0.00    -0.11   0.20   0.06     0.05  -0.09  -0.03
   123   1     0.01  -0.01  -0.00     0.24  -0.13  -0.02    -0.11   0.06   0.01
   124   1     0.02   0.01   0.00     0.37   0.17   0.08    -0.17  -0.08  -0.04
   125   1    -0.01  -0.01  -0.00    -0.10  -0.18  -0.06     0.05   0.09   0.03
   126  17     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
                    214                    215                    216
                      A                      A                      A
 Frequencies --   1143.6408              1145.2405              1145.5291
 Red. masses --      1.3352                 1.3369                 1.3415
 Frc consts  --      1.0289                 1.0331                 1.0372
 IR Inten    --      4.6066                 4.0549                 3.4887
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.01  -0.01    -0.00   0.00  -0.00     0.00  -0.00   0.00
     2   6    -0.00   0.01   0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
     3   6    -0.00   0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
     4   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
     5   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
     6   6    -0.01  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     7   6     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
     8   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.01   0.00  -0.00
     9   6    -0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    10   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    11   6    -0.00  -0.00   0.00    -0.00  -0.01  -0.00    -0.01  -0.00   0.00
    12   6    -0.00  -0.00  -0.00     0.00   0.01   0.01     0.00   0.00  -0.00
    13   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
    14   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    15   7    -0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.01  -0.00   0.00
    16   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    17   6     0.00  -0.00  -0.00     0.00   0.00  -0.00     0.01   0.00  -0.00
    18   7    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.01  -0.00  -0.00
    19   6    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    20   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.01  -0.00
    21   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.02   0.01
    22   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.01  -0.00
    23   6     0.03  -0.04   0.03     0.00  -0.01   0.00     0.00   0.00  -0.00
    24   6    -0.00  -0.01   0.00     0.01   0.05  -0.03     0.00  -0.01   0.00
    25   6     0.00   0.00  -0.00     0.00   0.01  -0.00     0.02   0.04  -0.04
    26   6     0.01   0.00  -0.00    -0.07  -0.01   0.02     0.01   0.00  -0.00
    27   6    -0.01   0.01  -0.00     0.06  -0.05   0.02    -0.01   0.01  -0.00
    28   6    -0.00  -0.00   0.00     0.01   0.04  -0.02    -0.00  -0.00   0.00
    29   6     0.01   0.00  -0.00    -0.07  -0.01   0.02     0.01   0.00  -0.00
    30   6    -0.01   0.01  -0.00     0.06  -0.04   0.02    -0.01   0.00  -0.00
    31   6    -0.07  -0.03  -0.02    -0.01  -0.00  -0.00     0.00   0.00   0.00
    32   6     0.03   0.07  -0.02     0.00   0.01  -0.00    -0.00  -0.00   0.00
    33   6     0.03  -0.03   0.02     0.00  -0.00   0.00    -0.00   0.00  -0.00
    34   6    -0.06  -0.03  -0.02    -0.01  -0.00  -0.00     0.00   0.00   0.00
    35   6     0.03   0.07  -0.02     0.00   0.01  -0.00    -0.00  -0.00   0.00
    36   6     0.00  -0.00   0.00     0.01  -0.01   0.00     0.06  -0.05   0.02
    37   6    -0.00  -0.00   0.00    -0.01  -0.00   0.00    -0.07  -0.01   0.02
    38   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.01   0.04  -0.02
    39   6     0.00  -0.00   0.00     0.01  -0.01   0.00     0.06  -0.04   0.02
    40   6    -0.00  -0.00   0.00    -0.01  -0.00   0.00    -0.07  -0.01   0.02
    41   7    -0.00   0.00  -0.01    -0.00  -0.00  -0.00     0.00   0.00   0.00
    42   7    -0.00   0.00  -0.00    -0.00  -0.00   0.01     0.00   0.00  -0.00
    43   7     0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.01
    44   6    -0.00   0.00   0.00     0.01  -0.01  -0.00    -0.00   0.00   0.00
    45   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    46   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    47   6     0.00   0.00   0.00    -0.01  -0.01  -0.00     0.00   0.00   0.00
    48   6    -0.02  -0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    49   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    50   6    -0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
    51   6     0.00   0.01   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    52   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.01  -0.01  -0.00
    53   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    54   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    55   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.01  -0.01  -0.00
    56   6    -0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    57   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    58   6     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    59   6    -0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    60   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    61   6    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
    62   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    63   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    64   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    65   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    66   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    67   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
    68   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    69   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    70   6    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
    71   6     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    72   6     0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00   0.00   0.00
    73   6    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    74   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    75   6     0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    76   6     0.00  -0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    77   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    78   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    79   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    80   1    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.01  -0.01   0.00
    81   1     0.01   0.06  -0.04    -0.00   0.00  -0.00    -0.00   0.00   0.00
    82   1     0.01   0.02   0.00     0.01   0.02  -0.00    -0.01  -0.01   0.00
    83   1    -0.06  -0.01  -0.03    -0.01  -0.01  -0.00     0.02   0.01   0.00
    84   1    -0.01   0.01  -0.01     0.03  -0.05   0.03    -0.02   0.01  -0.00
    85   1     0.01   0.01  -0.00    -0.05  -0.01   0.04     0.02   0.01  -0.00
    86   1     0.00  -0.00   0.00     0.01  -0.01  -0.00    -0.01   0.01   0.00
    87   1    -0.00   0.00   0.00    -0.01  -0.00  -0.00    -0.02  -0.00  -0.01
    88   1     0.00  -0.00   0.00     0.01  -0.01   0.00     0.05  -0.06   0.04
    89   1    -0.00  -0.00   0.00    -0.01  -0.00   0.00    -0.08  -0.02   0.03
    90   1     0.05  -0.03   0.01    -0.37   0.23  -0.10     0.04  -0.03   0.01
    91   1    -0.06  -0.00   0.01     0.49   0.01  -0.12    -0.06  -0.00   0.01
    92   1     0.06  -0.04   0.02    -0.41   0.26  -0.13     0.04  -0.03   0.02
    93   1    -0.05   0.00   0.01     0.46   0.01  -0.10    -0.06  -0.00   0.01
    94   1    -0.21  -0.38   0.11    -0.03  -0.05   0.01     0.01   0.01  -0.00
    95   1     0.44   0.24   0.12     0.06   0.03   0.02    -0.02  -0.01  -0.00
    96   1    -0.23  -0.43   0.14    -0.03  -0.05   0.02     0.00   0.01  -0.00
    97   1     0.40   0.22   0.10     0.05   0.03   0.01    -0.02  -0.01  -0.00
    98   1     0.01  -0.00  -0.00     0.05  -0.00  -0.01     0.44  -0.01  -0.10
    99   1    -0.01   0.00  -0.00    -0.05   0.03  -0.02    -0.41   0.27  -0.13
   100   1     0.01   0.00  -0.00     0.06   0.00  -0.02     0.50   0.00  -0.13
   101   1    -0.01   0.00  -0.00    -0.04   0.03  -0.01    -0.38   0.25  -0.11
   102   1    -0.00  -0.00  -0.00     0.02   0.02   0.01    -0.00  -0.00  -0.00
   103   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
   104   1     0.00  -0.00   0.00     0.01   0.00   0.00    -0.00  -0.00  -0.00
   105   1    -0.00  -0.00  -0.00     0.01   0.02   0.01     0.00  -0.00  -0.00
   106   1     0.00  -0.00  -0.00    -0.00   0.02   0.01     0.00  -0.00  -0.00
   107   1     0.00  -0.00  -0.00    -0.00   0.01   0.00    -0.00  -0.00   0.00
   108   1     0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
   109   1     0.00  -0.00  -0.00    -0.01   0.03   0.01     0.00  -0.00  -0.00
   110   1     0.00  -0.02  -0.01     0.00  -0.00  -0.00     0.00  -0.00  -0.00
   111   1     0.01   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
   112   1     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
   113   1     0.01  -0.02  -0.01     0.00  -0.00  -0.00    -0.00   0.00   0.00
   114   1     0.02  -0.01  -0.01    -0.00  -0.00  -0.00     0.00   0.00  -0.00
   115   1     0.01  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
   116   1    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
   117   1     0.03  -0.01  -0.01     0.01  -0.00  -0.00    -0.00   0.00   0.00
   118   1     0.00   0.00   0.00     0.00   0.00   0.00     0.02   0.02   0.01
   119   1    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
   120   1     0.00   0.00   0.00     0.00   0.00   0.00     0.01   0.00   0.00
   121   1     0.00   0.00   0.00     0.00   0.00   0.00     0.01   0.02   0.01
   122   1     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.02   0.01
   123   1    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.01   0.01   0.00
   124   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
   125   1    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.03   0.01
   126  17    -0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
                    217                    218                    219
                      A                      A                      A
 Frequencies --   1147.7723              1147.9306              1148.0476
 Red. masses --      1.5038                 1.5074                 1.5093
 Frc consts  --      1.1672                 1.1703                 1.1721
 IR Inten    --      6.9771                 5.2741                 6.1624
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00   0.00
     2   6    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
     3   6     0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
     4   6     0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
     5   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
     6   6    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     7   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
     8   6    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
     9   6    -0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    10   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    11   6    -0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    12   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    13   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
    14   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    15   7    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
    16   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    17   6     0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    18   7    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    19   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    20   6    -0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
    21   6     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    22   6    -0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
    23   6     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    24   6    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    25   6     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
    26   6     0.00   0.00  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    27   6    -0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
    28   6    -0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    29   6     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
    30   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    31   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    32   6     0.00   0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    33   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
    34   6    -0.00  -0.00   0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    35   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    36   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    37   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    38   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    39   6    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    40   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    41   7    -0.03   0.03   0.01    -0.00   0.00   0.00     0.00  -0.00  -0.00
    42   7     0.00   0.00   0.00    -0.01  -0.04  -0.01    -0.00  -0.00  -0.00
    43   7    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.01  -0.04  -0.01
    44   6     0.01  -0.00   0.00    -0.05   0.01  -0.00    -0.00   0.00  -0.00
    45   6     0.00  -0.01  -0.00    -0.00   0.05   0.01    -0.00   0.00   0.00
    46   6    -0.00  -0.01  -0.00     0.03   0.04   0.01     0.00   0.00   0.00
    47   6    -0.01   0.00   0.00     0.05  -0.02  -0.00     0.00  -0.00  -0.00
    48   6     0.04   0.04   0.00     0.00   0.01   0.00    -0.00  -0.00   0.00
    49   6     0.04  -0.02  -0.01     0.01  -0.00  -0.00    -0.00   0.00   0.00
    50   6     0.02  -0.04  -0.01     0.00  -0.01  -0.00    -0.00   0.00   0.00
    51   6    -0.04  -0.04   0.00    -0.01  -0.00   0.00     0.00   0.00  -0.00
    52   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.05   0.01  -0.00
    53   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.05   0.01
    54   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.03   0.04   0.01
    55   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.05  -0.02  -0.00
    56   6     0.00  -0.01  -0.00    -0.04   0.07   0.02    -0.00   0.00   0.00
    57   6    -0.00   0.01   0.00     0.01  -0.05  -0.01     0.00  -0.00  -0.00
    58   6    -0.00   0.00  -0.00     0.04  -0.00   0.00     0.00  -0.00   0.00
    59   6     0.01   0.00   0.00    -0.06  -0.00  -0.01    -0.00  -0.00  -0.00
    60   6    -0.01   0.00   0.00     0.06  -0.04  -0.00     0.00  -0.00  -0.00
    61   6     0.00  -0.00  -0.00    -0.03   0.02   0.00    -0.00   0.00   0.00
    62   6     0.00   0.01   0.00    -0.03  -0.04  -0.01    -0.00  -0.00  -0.00
    63   6    -0.01  -0.01  -0.00     0.07   0.04   0.02     0.00   0.00   0.00
    64   6     0.08  -0.00  -0.02     0.01  -0.00  -0.00    -0.00   0.00   0.00
    65   6    -0.05   0.02   0.01    -0.01   0.00   0.00     0.00  -0.00  -0.00
    66   6    -0.02  -0.03  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    67   6     0.03   0.06   0.00     0.00   0.01   0.00    -0.00  -0.00  -0.00
    68   6    -0.06  -0.03   0.01    -0.01  -0.00   0.00     0.00   0.00  -0.00
    69   6     0.03   0.02  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    70   6    -0.02   0.05   0.01    -0.00   0.01   0.00     0.00  -0.00  -0.00
    71   6     0.00  -0.08  -0.02     0.00  -0.01  -0.00    -0.00   0.00   0.00
    72   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.04   0.07   0.02
    73   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.01  -0.05  -0.01
    74   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.04  -0.00   0.00
    75   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.07  -0.00  -0.00
    76   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.05  -0.04  -0.00
    77   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.03   0.02   0.00
    78   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.04  -0.04  -0.01
    79   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.07   0.04   0.02
    80   1     0.00   0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    81   1     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    82   1    -0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
    83   1    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
    84   1    -0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    85   1     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
    86   1     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    87   1    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    88   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
    89   1     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    90   1     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
    91   1    -0.01  -0.00  -0.00     0.02   0.01   0.01     0.00   0.00   0.00
    92   1     0.00  -0.00  -0.00    -0.01   0.02   0.01     0.00   0.00   0.00
    93   1    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    94   1    -0.01  -0.01   0.01     0.00   0.00   0.00     0.00   0.00  -0.00
    95   1     0.03   0.00  -0.01     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    96   1    -0.00  -0.03  -0.01     0.00  -0.00  -0.00     0.00   0.00   0.00
    97   1     0.01   0.01   0.01    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    98   1    -0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
    99   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.02   0.01
   100   1    -0.00   0.00   0.00    -0.00  -0.00   0.00     0.02   0.01   0.01
   101   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
   102   1    -0.01  -0.03  -0.01     0.05   0.23   0.07     0.00   0.00   0.00
   103   1    -0.02   0.04   0.01     0.17  -0.33  -0.08     0.00  -0.00  -0.00
   104   1    -0.05   0.00  -0.00     0.36  -0.02   0.03     0.00  -0.00   0.00
   105   1     0.03   0.03   0.01    -0.23  -0.26  -0.11    -0.00  -0.00  -0.00
   106   1    -0.01   0.04   0.01     0.07  -0.34  -0.10     0.00  -0.00  -0.00
   107   1     0.04  -0.02  -0.00    -0.32   0.17   0.02    -0.00   0.00   0.00
   108   1     0.04   0.03   0.01    -0.32  -0.20  -0.09    -0.00  -0.00  -0.00
   109   1    -0.01  -0.03  -0.01     0.07   0.23   0.07     0.00   0.00   0.00
   110   1     0.18  -0.16  -0.07     0.02  -0.02  -0.01    -0.00   0.00   0.00
   111   1    -0.37   0.02   0.08    -0.05   0.00   0.01     0.00  -0.00  -0.00
   112   1    -0.20  -0.31  -0.02    -0.03  -0.04  -0.00     0.00   0.00   0.00
   113   1    -0.10   0.33   0.10    -0.01   0.04   0.01     0.00  -0.00  -0.00
   114   1    -0.33   0.11   0.10    -0.04   0.01   0.01     0.00  -0.00  -0.00
   115   1     0.31   0.20  -0.03     0.04   0.02  -0.00    -0.00  -0.00   0.00
   116   1    -0.02   0.37   0.07    -0.00   0.05   0.01     0.00  -0.00  -0.00
   117   1     0.16  -0.18  -0.07     0.02  -0.02  -0.01    -0.00   0.00   0.00
   118   1     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.06   0.23   0.07
   119   1     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.16  -0.34  -0.08
   120   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.36  -0.03   0.03
   121   1    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.24  -0.25  -0.10
   122   1     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.06  -0.35  -0.10
   123   1    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.32   0.18   0.02
   124   1    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.32  -0.19  -0.08
   125   1     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.08   0.22   0.07
   126  17     0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
                    220                    221                    222
                      A                      A                      A
 Frequencies --   1159.5376              1178.9630              1180.4643
 Red. masses --      2.0096                 1.5198                 1.1569
 Frc consts  --      1.5919                 1.2446                 0.9498
 IR Inten    --     39.9545                70.8186                 5.3875
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.02  -0.00     0.01  -0.01  -0.00     0.00   0.00  -0.00
     2   6    -0.09   0.02   0.00    -0.03   0.02   0.00     0.00  -0.00  -0.00
     3   6     0.08  -0.03   0.00    -0.00   0.06  -0.00     0.00  -0.00   0.00
     4   6     0.05  -0.08   0.00     0.04   0.01  -0.00    -0.00  -0.00   0.00
     5   6    -0.12   0.01  -0.00    -0.02  -0.03   0.00    -0.00   0.00  -0.00
     6   6     0.06   0.05  -0.00     0.03   0.02  -0.00    -0.00   0.00   0.00
     7   6     0.04   0.06  -0.00    -0.03   0.00  -0.00     0.00  -0.00   0.00
     8   6    -0.00   0.09  -0.00    -0.07  -0.05   0.00     0.00   0.00  -0.00
     9   6    -0.04   0.05  -0.00    -0.01  -0.05   0.00     0.00   0.00  -0.00
    10   6    -0.02  -0.08   0.00    -0.02  -0.01   0.00     0.00  -0.00  -0.00
    11   6    -0.06  -0.03  -0.00     0.05   0.03   0.00    -0.00  -0.00  -0.00
    12   6     0.01   0.02   0.00    -0.01  -0.03   0.00    -0.00   0.00  -0.00
    13   6     0.05  -0.02  -0.00    -0.02   0.01  -0.00     0.00  -0.00   0.00
    14   6    -0.07  -0.06   0.00     0.04   0.02  -0.00    -0.00  -0.00  -0.00
    15   7    -0.01   0.01   0.00     0.07   0.01  -0.00    -0.00   0.00   0.00
    16   6     0.04  -0.01   0.00    -0.02   0.03  -0.00     0.00  -0.00   0.00
    17   6     0.02   0.02  -0.00    -0.05  -0.00   0.00     0.00   0.00   0.00
    18   7    -0.01   0.00   0.00     0.01   0.01  -0.00    -0.00   0.00   0.00
    19   6    -0.01   0.00  -0.00     0.04  -0.04   0.00    -0.00   0.00  -0.00
    20   6     0.00  -0.01   0.00    -0.05   0.04  -0.00     0.00  -0.00   0.00
    21   6     0.00   0.01  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    22   6    -0.00   0.00   0.00     0.00  -0.04   0.00    -0.00   0.00  -0.00
    23   6     0.02   0.01   0.02    -0.01  -0.01   0.01     0.00   0.00   0.00
    24   6     0.03  -0.00  -0.01    -0.02   0.00   0.01     0.00   0.00  -0.00
    25   6    -0.00  -0.00   0.00     0.01   0.00  -0.01    -0.00  -0.00   0.00
    26   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
    27   6    -0.01   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    28   6    -0.00   0.00  -0.00     0.01  -0.00   0.00    -0.01   0.00  -0.00
    29   6    -0.01  -0.00   0.00     0.01   0.00  -0.00    -0.00  -0.00   0.00
    30   6     0.00  -0.01   0.01    -0.00   0.01  -0.01     0.00  -0.00   0.00
    31   6    -0.00   0.00  -0.01    -0.01  -0.00  -0.00    -0.01  -0.00  -0.01
    32   6    -0.01  -0.00  -0.00    -0.00   0.01  -0.00    -0.00   0.00  -0.00
    33   6     0.00  -0.00   0.00     0.00   0.00   0.00     0.02   0.02  -0.00
    34   6    -0.01  -0.00  -0.00     0.00  -0.00   0.00     0.00   0.00   0.00
    35   6    -0.00   0.01  -0.01     0.00   0.00  -0.00    -0.00  -0.01   0.01
    36   6    -0.01   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    37   6     0.01   0.00  -0.00    -0.00  -0.01   0.00     0.00   0.00  -0.00
    38   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    39   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
    40   6     0.00  -0.00  -0.00    -0.01  -0.00   0.00     0.00   0.00  -0.00
    41   7     0.00   0.00  -0.00     0.00  -0.00  -0.00     0.01   0.01  -0.00
    42   7     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    43   7     0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    44   6     0.00  -0.00  -0.00    -0.00   0.01   0.00     0.01  -0.01  -0.00
    45   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.01  -0.00
    46   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.01   0.00
    47   6     0.00   0.00   0.00    -0.01  -0.00  -0.00     0.01   0.00   0.00
    48   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.03  -0.01   0.01
    49   6    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.01   0.02   0.01
    50   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.02  -0.01  -0.01
    51   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.01  -0.04  -0.01
    52   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    53   6    -0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    54   6    -0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
    55   6     0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    56   6     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    57   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.01   0.01   0.00
    58   6    -0.00  -0.00  -0.00    -0.00   0.00   0.00     0.01  -0.00  -0.00
    59   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    60   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    61   6    -0.00   0.00   0.00    -0.00  -0.00  -0.00     0.01  -0.00   0.00
    62   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.01  -0.00  -0.00
    63   6     0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    64   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.02   0.00
    65   6    -0.00   0.00   0.00     0.00   0.00  -0.00     0.04   0.00  -0.01
    66   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.03  -0.03   0.00
    67   6     0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.01   0.00
    68   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.01  -0.01  -0.00
    69   6    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.03  -0.03  -0.00
    70   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.04   0.01
    71   6    -0.00   0.00   0.00     0.00   0.00  -0.00     0.02   0.00  -0.00
    72   6     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    73   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
    74   6    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
    75   6     0.00   0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    76   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
    77   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
    78   6    -0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    79   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    80   1     0.01   0.03  -0.01     0.17   0.09   0.00    -0.01  -0.00  -0.00
    81   1    -0.09   0.03  -0.01    -0.06  -0.07  -0.00    -0.00  -0.01   0.00
    82   1    -0.20  -0.28   0.01    -0.12  -0.40   0.01    -0.00   0.00   0.00
    83   1     0.70   0.23  -0.03     0.33   0.10  -0.01    -0.01  -0.00  -0.00
    84   1    -0.09  -0.00   0.01     0.13  -0.05  -0.01    -0.00  -0.00   0.00
    85   1     0.42   0.07   0.02    -0.29  -0.06  -0.01     0.01   0.00  -0.00
    86   1    -0.12  -0.03  -0.01     0.19  -0.12   0.00    -0.01   0.01  -0.00
    87   1    -0.08  -0.01   0.00     0.42   0.04  -0.01    -0.01  -0.00   0.00
    88   1     0.03  -0.05  -0.01    -0.34   0.35   0.01     0.01  -0.01  -0.00
    89   1    -0.03  -0.00  -0.00     0.02  -0.04   0.01     0.00   0.00  -0.00
    90   1    -0.01  -0.01  -0.02     0.01   0.00   0.01     0.01  -0.00  -0.00
    91   1    -0.00   0.01   0.00    -0.01  -0.01   0.01     0.02   0.00  -0.01
    92   1    -0.05   0.03  -0.01     0.01   0.00  -0.00     0.01  -0.01   0.01
    93   1    -0.03  -0.03   0.00     0.05   0.03  -0.01     0.01  -0.00   0.00
    94   1    -0.02   0.03   0.02    -0.00   0.04  -0.00    -0.02  -0.01   0.00
    95   1    -0.01  -0.01  -0.01     0.01   0.01  -0.00    -0.05  -0.02  -0.03
    96   1    -0.03  -0.06   0.02    -0.01  -0.03   0.01    -0.02  -0.04   0.03
    97   1    -0.03   0.01   0.00     0.03   0.02   0.02    -0.01  -0.02  -0.00
    98   1    -0.04   0.00   0.01    -0.02  -0.02  -0.01     0.00   0.00   0.00
    99   1     0.04  -0.03   0.01    -0.02   0.01   0.00     0.00  -0.00  -0.00
   100   1    -0.03  -0.00   0.01     0.06   0.01  -0.02    -0.00  -0.00   0.00
   101   1     0.03  -0.02   0.01    -0.05   0.03  -0.02     0.00  -0.00   0.00
   102   1    -0.01  -0.01  -0.00     0.02   0.03   0.01    -0.05  -0.07  -0.02
   103   1    -0.01   0.02   0.00     0.03  -0.04  -0.01    -0.07   0.12   0.03
   104   1    -0.00  -0.00  -0.00    -0.03   0.00  -0.00     0.14  -0.01   0.01
   105   1     0.00   0.00   0.00     0.01   0.02   0.01    -0.05  -0.08  -0.03
   106   1     0.00  -0.00  -0.00     0.00  -0.02  -0.01    -0.00   0.09   0.03
   107   1    -0.00   0.00   0.00    -0.03   0.01   0.00     0.12  -0.06  -0.01
   108   1    -0.02  -0.01  -0.00     0.05   0.03   0.01    -0.11  -0.06  -0.03
   109   1     0.00   0.02   0.00     0.00  -0.04  -0.01    -0.01   0.08   0.02
   110   1     0.01  -0.01  -0.00    -0.01   0.02   0.01    -0.10   0.21   0.06
   111   1    -0.02  -0.00   0.00     0.03   0.00  -0.01     0.37   0.01  -0.08
   112   1    -0.00  -0.00  -0.00    -0.02  -0.02  -0.00    -0.22  -0.33  -0.02
   113   1     0.00   0.00  -0.00    -0.01   0.02   0.01    -0.12   0.24   0.08
   114   1     0.00  -0.00  -0.00     0.02  -0.01  -0.01     0.23  -0.12  -0.08
   115   1    -0.00  -0.00   0.00    -0.02  -0.02   0.00    -0.33  -0.22   0.03
   116   1    -0.00  -0.02  -0.00     0.00   0.03   0.01     0.01   0.38   0.07
   117   1    -0.01   0.01   0.00     0.02  -0.01  -0.01     0.20  -0.10  -0.06
   118   1    -0.00  -0.00  -0.00     0.01   0.01   0.00    -0.00  -0.00  -0.00
   119   1    -0.00   0.00   0.00     0.01  -0.01  -0.00    -0.00   0.00   0.00
   120   1    -0.00   0.00  -0.00    -0.01   0.00  -0.00    -0.00   0.00  -0.00
   121   1     0.00   0.00   0.00     0.00   0.01   0.00     0.00   0.00   0.00
   122   1     0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
   123   1    -0.00   0.00   0.00    -0.01   0.00   0.00    -0.00   0.00   0.00
   124   1    -0.00  -0.00  -0.00     0.01   0.00   0.00     0.00   0.00   0.00
   125   1     0.00  -0.00  -0.00    -0.00  -0.01  -0.00     0.00  -0.00  -0.00
   126  17     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
                    223                    224                    225
                      A                      A                      A
 Frequencies --   1180.7092              1180.7865              1187.9692
 Red. masses --      1.1603                 1.1600                 1.1033
 Frc consts  --      0.9531                 0.9529                 0.9174
 IR Inten    --     13.5827                 9.5957                 0.0223
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
     2   6    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
     3   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     4   6     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     5   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
     6   6     0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     7   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
     8   6    -0.01  -0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     9   6    -0.00  -0.01   0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    10   6    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    11   6     0.00   0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    12   6    -0.01  -0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    13   6    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    14   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    15   7     0.01   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    16   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    17   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    18   7     0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    19   6     0.01  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    20   6    -0.01   0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    21   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    22   6     0.00  -0.00   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    23   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    24   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    25   6     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    26   6     0.01   0.00  -0.01     0.00   0.00  -0.00     0.00  -0.00  -0.00
    27   6    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    28   6    -0.03   0.01  -0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    29   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    30   6     0.01  -0.01   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    31   6     0.00   0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    32   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    33   6    -0.01  -0.01   0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    34   6    -0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    35   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00   0.00
    36   6    -0.00   0.00  -0.00     0.01  -0.01   0.01    -0.00  -0.00   0.00
    37   6     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    38   6     0.00  -0.00  -0.00    -0.03   0.01  -0.00     0.00   0.00   0.00
    39   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    40   6    -0.00  -0.00   0.00     0.01   0.00  -0.01    -0.00  -0.00   0.00
    41   7    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.01   0.02   0.00
    42   7    -0.01   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.01   0.00
    43   7     0.00  -0.00   0.00    -0.01   0.00  -0.00    -0.00  -0.00  -0.00
    44   6     0.02  -0.03  -0.01     0.00  -0.00  -0.00     0.01  -0.00  -0.00
    45   6    -0.01  -0.02  -0.01    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    46   6    -0.00   0.02   0.01    -0.00   0.00   0.00     0.00   0.00   0.00
    47   6     0.03   0.01   0.01     0.00   0.00   0.00    -0.01   0.00  -0.00
    48   6     0.01   0.00  -0.00     0.00   0.00  -0.00     0.01   0.01  -0.00
    49   6     0.00  -0.01  -0.00     0.00  -0.00  -0.00    -0.01   0.00   0.00
    50   6    -0.01   0.00   0.00    -0.00   0.00   0.00    -0.00   0.01   0.00
    51   6     0.00   0.01   0.00     0.00   0.00   0.00    -0.01  -0.01  -0.00
    52   6    -0.00   0.00   0.00     0.02  -0.03  -0.01    -0.00   0.00   0.00
    53   6     0.00   0.00   0.00    -0.01  -0.02  -0.01    -0.00  -0.00  -0.00
    54   6    -0.00  -0.00  -0.00     0.00   0.02   0.01    -0.00  -0.00  -0.00
    55   6    -0.00  -0.00  -0.00     0.04   0.01   0.01     0.00  -0.00   0.00
    56   6    -0.01  -0.01  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    57   6    -0.02   0.03   0.01    -0.00   0.00   0.00     0.01  -0.02  -0.00
    58   6     0.04  -0.01  -0.00     0.00  -0.00  -0.00    -0.02   0.00  -0.00
    59   6    -0.01  -0.01  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    60   6    -0.00   0.01   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    61   6     0.04  -0.01   0.00     0.00  -0.00   0.00     0.02  -0.01   0.00
    62   6    -0.03  -0.01  -0.01    -0.00  -0.00  -0.00    -0.02  -0.01  -0.00
    63   6    -0.01   0.01   0.00    -0.00   0.00   0.00    -0.00   0.01   0.00
    64   6    -0.00  -0.01  -0.00    -0.00  -0.00  -0.00    -0.00   0.01   0.00
    65   6    -0.01  -0.00   0.00    -0.00  -0.00   0.00     0.04  -0.00  -0.01
    66   6     0.01   0.01  -0.00     0.00   0.00  -0.00    -0.02  -0.02   0.00
    67   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
    68   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    69   6     0.01   0.01   0.00     0.00   0.00   0.00     0.02   0.02  -0.00
    70   6    -0.00  -0.01  -0.00    -0.00  -0.00  -0.00     0.00  -0.04  -0.01
    71   6    -0.01  -0.00   0.00    -0.00  -0.00   0.00    -0.01   0.00   0.00
    72   6     0.00   0.00   0.00    -0.02  -0.01  -0.00    -0.00  -0.00  -0.00
    73   6     0.00  -0.00  -0.00    -0.02   0.03   0.01    -0.00   0.00   0.00
    74   6    -0.00   0.00   0.00     0.04  -0.01  -0.00     0.00  -0.00   0.00
    75   6     0.00   0.00   0.00    -0.01  -0.01  -0.00    -0.00  -0.00  -0.00
    76   6     0.00  -0.00  -0.00    -0.00   0.01   0.00     0.00   0.00   0.00
    77   6    -0.00   0.00  -0.00     0.04  -0.01   0.00    -0.00   0.00  -0.00
    78   6     0.00   0.00   0.00    -0.04  -0.02  -0.01     0.00   0.00   0.00
    79   6     0.00  -0.00  -0.00    -0.01   0.02   0.00     0.00  -0.00  -0.00
    80   1     0.02   0.01   0.00     0.01   0.01   0.00     0.00  -0.00  -0.00
    81   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    82   1    -0.00  -0.02   0.00    -0.01  -0.02   0.00     0.00   0.00  -0.00
    83   1     0.02   0.00  -0.00     0.02   0.01  -0.00    -0.00  -0.00  -0.00
    84   1     0.02  -0.01   0.00     0.01  -0.00  -0.00    -0.00  -0.00   0.00
    85   1    -0.02  -0.00  -0.00    -0.02  -0.00  -0.00     0.00   0.00  -0.00
    86   1     0.02  -0.01   0.00     0.01  -0.01   0.00    -0.00   0.00   0.00
    87   1     0.05   0.00  -0.00     0.00  -0.00  -0.00     0.01   0.00  -0.00
    88   1    -0.04   0.05   0.00     0.01  -0.01   0.00    -0.00   0.00   0.00
    89   1    -0.00  -0.01   0.00     0.02   0.00  -0.00    -0.00  -0.00   0.00
    90   1     0.02  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    91   1     0.05   0.01  -0.03     0.00   0.00  -0.00    -0.01  -0.00  -0.00
    92   1     0.04  -0.03   0.03     0.00  -0.00   0.00     0.01  -0.01   0.00
    93   1     0.03  -0.01  -0.00     0.01   0.00  -0.00    -0.00  -0.00   0.00
    94   1     0.01   0.01  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    95   1     0.02   0.01   0.01     0.00   0.00   0.00     0.02   0.00   0.00
    96   1     0.01   0.01  -0.01     0.00   0.00  -0.00    -0.00  -0.02   0.00
    97   1     0.01   0.01   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    98   1    -0.00  -0.00  -0.00     0.02  -0.01  -0.00    -0.00  -0.00  -0.00
    99   1    -0.00   0.00  -0.00     0.04  -0.03   0.03     0.00  -0.00   0.00
   100   1     0.00  -0.00   0.00     0.05   0.01  -0.03     0.00   0.00  -0.00
   101   1    -0.01   0.00  -0.00     0.02  -0.00   0.00    -0.00  -0.00  -0.00
   102   1    -0.13  -0.19  -0.07    -0.01  -0.02  -0.01     0.06   0.10   0.03
   103   1    -0.20   0.33   0.08    -0.02   0.03   0.01     0.11  -0.19  -0.04
   104   1     0.40  -0.03   0.03     0.04  -0.00   0.00    -0.20   0.01  -0.01
   105   1    -0.14  -0.22  -0.09    -0.01  -0.02  -0.01     0.05   0.08   0.03
   106   1    -0.01   0.26   0.08    -0.00   0.03   0.01    -0.01   0.10   0.03
   107   1     0.34  -0.17  -0.02     0.03  -0.02  -0.00     0.19  -0.10  -0.01
   108   1    -0.32  -0.17  -0.08    -0.03  -0.02  -0.01    -0.20  -0.11  -0.05
   109   1    -0.02   0.22   0.06    -0.00   0.02   0.01    -0.01   0.13   0.04
   110   1     0.03  -0.07  -0.02     0.00  -0.01  -0.00    -0.10   0.20   0.06
   111   1    -0.13  -0.00   0.03    -0.01  -0.00   0.00     0.39  -0.00  -0.08
   112   1     0.08   0.11   0.01     0.01   0.01   0.00    -0.20  -0.30  -0.02
   113   1     0.04  -0.08  -0.03     0.00  -0.01  -0.00    -0.07   0.15   0.05
   114   1    -0.08   0.04   0.03    -0.01   0.00   0.00    -0.15   0.07   0.05
   115   1     0.11   0.07  -0.01     0.01   0.01  -0.00     0.30   0.20  -0.03
   116   1    -0.00  -0.12  -0.02    -0.00  -0.01  -0.00    -0.00  -0.39  -0.07
   117   1    -0.07   0.03   0.02    -0.01   0.00   0.00    -0.19   0.10   0.06
   118   1     0.01   0.02   0.01    -0.14  -0.19  -0.07    -0.00  -0.00  -0.00
   119   1     0.02  -0.03  -0.01    -0.19   0.34   0.07    -0.00   0.00   0.00
   120   1    -0.04   0.00  -0.00     0.41  -0.04   0.03     0.00  -0.00   0.00
   121   1     0.02   0.02   0.01    -0.16  -0.23  -0.09    -0.00  -0.00  -0.00
   122   1     0.00  -0.03  -0.01    -0.00   0.28   0.09     0.00  -0.00  -0.00
   123   1    -0.04   0.02   0.00     0.37  -0.20  -0.02    -0.00   0.00   0.00
   124   1     0.04   0.02   0.01    -0.36  -0.19  -0.08     0.00   0.00   0.00
   125   1     0.00  -0.02  -0.01    -0.01   0.25   0.07     0.00  -0.00  -0.00
   126  17    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
                    226                    227                    228
                      A                      A                      A
 Frequencies --   1188.0705              1188.1645              1190.8116
 Red. masses --      1.1039                 1.1039                 1.4658
 Frc consts  --      0.9180                 0.9182                 1.2246
 IR Inten    --      0.0065                 0.0228                 2.2619
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.01   0.01  -0.00
     2   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.01  -0.02   0.00
     3   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.02  -0.04   0.00
     4   6     0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.02   0.00  -0.00
     5   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.01   0.02   0.00
     6   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.02  -0.02   0.00
     7   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.02  -0.00   0.00
     8   6     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.02   0.07  -0.00
     9   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.02   0.03  -0.00
    10   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.01   0.02  -0.00
    11   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.03  -0.03  -0.00
    12   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.02   0.00
    13   6    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.03  -0.02   0.00
    14   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.05  -0.02   0.00
    15   7    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.02  -0.04   0.00
    16   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.01   0.06  -0.00
    17   6     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.03  -0.00
    18   7    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.01  -0.05   0.00
    19   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.04  -0.05   0.00
    20   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.04   0.03  -0.00
    21   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.01   0.02   0.00
    22   6    -0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.05   0.00
    23   6    -0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.01   0.01  -0.00
    24   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.02   0.00  -0.01
    25   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.02   0.01  -0.01
    26   6    -0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    27   6     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.01   0.00   0.00
    28   6     0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
    29   6    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.01  -0.00   0.00
    30   6     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    31   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    32   6     0.00   0.00   0.00    -0.00   0.00  -0.00     0.00  -0.01   0.00
    33   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    34   6    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
    35   6     0.00   0.00   0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    36   6     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    37   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.01  -0.00   0.00
    38   6    -0.00  -0.00   0.00    -0.00  -0.00   0.01     0.00   0.00  -0.00
    39   6    -0.00   0.00  -0.00     0.00   0.00  -0.00     0.01  -0.01   0.00
    40   6     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.01  -0.00   0.00
    41   7    -0.01   0.01   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
    42   7    -0.01  -0.02  -0.01     0.00   0.00   0.00     0.00  -0.00  -0.00
    43   7    -0.00  -0.00  -0.00    -0.01  -0.02  -0.01    -0.00   0.00   0.00
    44   6    -0.02   0.01   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    45   6     0.00  -0.01  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    46   6    -0.01  -0.01  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    47   6     0.02  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    48   6     0.01   0.01  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    49   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
    50   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
    51   6    -0.01  -0.01  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    52   6    -0.00   0.00  -0.00    -0.02   0.01   0.00    -0.00   0.00   0.00
    53   6     0.00  -0.00  -0.00     0.00  -0.01  -0.00    -0.00  -0.00  -0.00
    54   6    -0.00  -0.00  -0.00    -0.01  -0.01  -0.00    -0.00   0.00   0.00
    55   6     0.00  -0.00   0.00     0.02  -0.00   0.00    -0.00  -0.00  -0.00
    56   6    -0.01  -0.01  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    57   6    -0.02   0.03   0.01     0.00  -0.00  -0.00     0.00   0.00   0.00
    58   6     0.03  -0.01   0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
    59   6    -0.01  -0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
    60   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    61   6    -0.03   0.01  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    62   6     0.03   0.02   0.01    -0.00  -0.00  -0.00     0.00   0.00   0.00
    63   6     0.00  -0.01  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    64   6    -0.00   0.01   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    65   6     0.02  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    66   6    -0.01  -0.01   0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
    67   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    68   6    -0.00  -0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    69   6     0.01   0.01  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    70   6     0.00  -0.02  -0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    71   6    -0.01   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    72   6    -0.00  -0.00  -0.00    -0.01  -0.01  -0.00     0.00   0.00   0.00
    73   6    -0.00   0.00   0.00    -0.02   0.04   0.01    -0.00   0.00   0.00
    74   6     0.00  -0.00  -0.00     0.04  -0.01  -0.00     0.00   0.00   0.00
    75   6    -0.00   0.00   0.00    -0.01  -0.00  -0.00    -0.00  -0.00  -0.00
    76   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    77   6    -0.00   0.00  -0.00    -0.04   0.01  -0.00     0.00  -0.00  -0.00
    78   6     0.00   0.00   0.00     0.03   0.02   0.01    -0.00   0.00   0.00
    79   6     0.00  -0.00  -0.00     0.00  -0.01  -0.00     0.00  -0.00  -0.00
    80   1    -0.00   0.00   0.00     0.00   0.00   0.00    -0.02  -0.08  -0.01
    81   1    -0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.03   0.05   0.00
    82   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.07   0.26  -0.01
    83   1     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.24  -0.08   0.01
    84   1     0.00   0.00   0.00     0.00  -0.00  -0.00    -0.09   0.03   0.00
    85   1    -0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.40   0.07   0.01
    86   1     0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.16   0.07  -0.00
    87   1    -0.01  -0.00   0.00    -0.00  -0.00   0.00     0.48   0.04  -0.01
    88   1     0.01  -0.01  -0.00     0.00  -0.00   0.00    -0.39   0.42   0.01
    89   1     0.00   0.00  -0.00     0.00   0.00   0.00    -0.13  -0.08   0.01
    90   1    -0.00   0.00  -0.00    -0.00   0.00   0.00     0.01  -0.03  -0.01
    91   1     0.01   0.01   0.00    -0.00  -0.00  -0.00    -0.01   0.00   0.00
    92   1    -0.01   0.02  -0.00     0.00  -0.00   0.00    -0.04   0.02  -0.01
    93   1     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.02  -0.02   0.00
    94   1    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.01  -0.05   0.01
    95   1     0.01   0.00   0.00    -0.00   0.00  -0.00     0.01  -0.00   0.01
    96   1    -0.00  -0.01   0.00    -0.00  -0.00   0.00     0.01   0.03  -0.01
    97   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.03  -0.01  -0.02
    98   1     0.00   0.00   0.00     0.00  -0.00  -0.00    -0.04  -0.02  -0.01
    99   1    -0.00   0.00  -0.00    -0.01   0.02  -0.00     0.04  -0.02   0.01
   100   1    -0.00   0.00   0.00     0.02   0.01  -0.00     0.08   0.00  -0.02
   101   1     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.01  -0.00  -0.00
   102   1    -0.11  -0.18  -0.06     0.00   0.00   0.00    -0.00  -0.01  -0.00
   103   1    -0.19   0.33   0.08     0.00  -0.00  -0.00    -0.00   0.00   0.00
   104   1     0.36  -0.02   0.03    -0.00   0.00  -0.00    -0.01  -0.00  -0.00
   105   1    -0.09  -0.14  -0.05     0.00   0.00   0.00     0.01   0.01   0.00
   106   1     0.01  -0.17  -0.05    -0.00   0.00   0.00     0.00  -0.02  -0.01
   107   1    -0.33   0.17   0.02     0.00  -0.00  -0.00    -0.02   0.01   0.00
   108   1     0.34   0.20   0.08    -0.00  -0.00  -0.00     0.01   0.01   0.00
   109   1     0.01  -0.23  -0.06    -0.00   0.00   0.00    -0.00  -0.00  -0.00
   110   1    -0.06   0.11   0.03     0.00  -0.00  -0.00     0.00  -0.01  -0.00
   111   1     0.22  -0.00  -0.05    -0.00   0.00   0.00    -0.00   0.00   0.00
   112   1    -0.11  -0.17  -0.01     0.00   0.00   0.00    -0.01  -0.01  -0.00
   113   1    -0.04   0.09   0.03     0.00  -0.00  -0.00    -0.01   0.01   0.00
   114   1    -0.09   0.04   0.03     0.00  -0.00  -0.00     0.01  -0.01  -0.00
   115   1     0.18   0.12  -0.02    -0.00  -0.00   0.00    -0.02  -0.01   0.00
   116   1    -0.00  -0.23  -0.04     0.00   0.00   0.00     0.00   0.00   0.00
   117   1    -0.11   0.06   0.04     0.00  -0.00  -0.00    -0.01   0.00   0.00
   118   1    -0.00  -0.00  -0.00    -0.15  -0.21  -0.07     0.00   0.00   0.00
   119   1    -0.00   0.00   0.00    -0.21   0.40   0.09    -0.01   0.01   0.00
   120   1     0.00  -0.00   0.00     0.42  -0.04   0.03     0.04  -0.00   0.00
   121   1    -0.00  -0.00  -0.00    -0.11  -0.16  -0.06    -0.01  -0.02  -0.01
   122   1     0.00  -0.00  -0.00     0.01  -0.19  -0.06    -0.00   0.02   0.01
   123   1    -0.00   0.00   0.00    -0.36   0.20   0.02     0.02  -0.01  -0.00
   124   1     0.00   0.00   0.00     0.39   0.21   0.09    -0.00  -0.00  -0.00
   125   1     0.00  -0.00  -0.00     0.00  -0.25  -0.07     0.00  -0.01  -0.00
   126  17     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
                    229                    230                    231
                      A                      A                      A
 Frequencies --   1199.7704              1200.0246              1200.3298
 Red. masses --      1.5003                 1.5121                 1.5339
 Frc consts  --      1.2724                 1.2829                 1.3021
 IR Inten    --     28.5494               106.1543                13.3696
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.01   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     2   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
     3   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     4   6     0.00   0.00  -0.00     0.00  -0.00   0.00     0.00   0.00   0.00
     5   6     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
     6   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
     7   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     8   6    -0.01  -0.00   0.00    -0.00  -0.01   0.00     0.00   0.00  -0.00
     9   6     0.00  -0.00   0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    10   6    -0.00  -0.01   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    11   6     0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    12   6     0.00  -0.00   0.00    -0.01   0.00   0.00     0.01   0.00  -0.00
    13   6    -0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    14   6     0.00   0.00  -0.00     0.01   0.00  -0.00    -0.00  -0.00   0.00
    15   7     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    16   6     0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    17   6    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    18   7    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    19   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    20   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
    21   6    -0.00  -0.00  -0.00    -0.01   0.00  -0.00    -0.01   0.01  -0.00
    22   6    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    23   6     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    24   6    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    25   6     0.00  -0.00   0.00     0.00  -0.00  -0.00     0.01  -0.00   0.00
    26   6    -0.00  -0.01   0.01     0.01   0.03  -0.03    -0.00  -0.01   0.01
    27   6    -0.00  -0.00   0.00     0.02   0.01  -0.01    -0.01  -0.00   0.00
    28   6     0.03  -0.01   0.00    -0.10   0.03  -0.00     0.04  -0.01   0.00
    29   6    -0.00   0.00  -0.00     0.01  -0.02   0.01    -0.00   0.01  -0.00
    30   6     0.00   0.01  -0.01    -0.01  -0.03   0.03     0.00   0.01  -0.01
    31   6     0.02  -0.03   0.03     0.00  -0.00   0.01    -0.01   0.01  -0.01
    32   6     0.02  -0.00   0.01     0.00   0.00   0.00    -0.00  -0.00  -0.00
    33   6    -0.08  -0.08   0.00    -0.01  -0.01   0.00     0.02   0.02  -0.00
    34   6    -0.00   0.02  -0.01     0.00   0.00  -0.00     0.00  -0.00   0.00
    35   6    -0.03   0.02  -0.03    -0.00   0.00  -0.01     0.01  -0.01   0.01
    36   6    -0.00  -0.00   0.00    -0.01  -0.01   0.01    -0.01  -0.03   0.03
    37   6    -0.00  -0.00   0.00     0.00  -0.01   0.00     0.00  -0.02   0.01
    38   6    -0.02   0.00  -0.00    -0.05   0.01  -0.00    -0.10   0.03  -0.00
    39   6     0.00   0.00  -0.00     0.01   0.01  -0.00     0.01   0.01  -0.01
    40   6     0.00   0.00  -0.00     0.00   0.01  -0.01     0.01   0.03  -0.03
    41   7     0.01   0.01  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    42   7    -0.00   0.00  -0.00     0.01  -0.00   0.00    -0.00   0.00  -0.00
    43   7     0.00  -0.00   0.00     0.01  -0.00   0.00     0.01  -0.00   0.00
    44   6    -0.01   0.01   0.00     0.05  -0.04  -0.01    -0.02   0.02   0.00
    45   6    -0.01  -0.00  -0.00     0.04   0.01   0.00    -0.02  -0.00  -0.00
    46   6    -0.01   0.01   0.00     0.03  -0.03  -0.00    -0.01   0.01   0.00
    47   6    -0.02  -0.00  -0.00     0.06   0.01   0.01    -0.03  -0.01  -0.00
    48   6     0.07   0.02  -0.01     0.01   0.00  -0.00    -0.02  -0.01   0.00
    49   6     0.01   0.04   0.00     0.00   0.01   0.00    -0.00  -0.01  -0.00
    50   6     0.04   0.01  -0.00     0.01   0.00  -0.00    -0.01  -0.00   0.00
    51   6     0.02   0.07   0.00     0.00   0.01   0.00    -0.01  -0.02  -0.00
    52   6     0.01  -0.01  -0.00     0.02  -0.02  -0.00     0.05  -0.05  -0.01
    53   6     0.01   0.00   0.00     0.02   0.00   0.00     0.04   0.01   0.00
    54   6     0.00  -0.00  -0.00     0.01  -0.01  -0.00     0.03  -0.03  -0.00
    55   6     0.01   0.00   0.00     0.03   0.01   0.00     0.07   0.01   0.01
    56   6     0.01   0.00   0.00    -0.03  -0.02  -0.01     0.02   0.01   0.00
    57   6    -0.00  -0.00  -0.00     0.01   0.02   0.01    -0.00  -0.01  -0.00
    58   6     0.01   0.01   0.00    -0.03  -0.02  -0.01     0.01   0.01   0.00
    59   6    -0.00  -0.01  -0.00     0.01   0.03   0.01    -0.00  -0.01  -0.00
    60   6     0.00   0.01   0.00    -0.01  -0.03  -0.01     0.00   0.01   0.00
    61   6     0.00  -0.01  -0.00    -0.02   0.03   0.01     0.01  -0.02  -0.00
    62   6    -0.00   0.01   0.00     0.00  -0.02  -0.01    -0.00   0.01   0.00
    63   6     0.01  -0.01  -0.00    -0.02   0.03   0.01     0.01  -0.01  -0.00
    64   6    -0.00  -0.04  -0.01    -0.00  -0.01  -0.00     0.00   0.01   0.00
    65   6    -0.01   0.02   0.01    -0.00   0.00   0.00     0.00  -0.00  -0.00
    66   6     0.00  -0.04  -0.01     0.00  -0.01  -0.00    -0.00   0.01   0.00
    67   6    -0.02   0.03   0.01    -0.00   0.00   0.00     0.01  -0.01  -0.00
    68   6     0.03  -0.02  -0.01     0.00  -0.00  -0.00    -0.01   0.01   0.00
    69   6    -0.04   0.00   0.01    -0.01   0.00   0.00     0.01  -0.00  -0.00
    70   6     0.02  -0.01  -0.01     0.00  -0.00  -0.00    -0.00   0.00   0.00
    71   6    -0.04  -0.00   0.01    -0.01  -0.00   0.00     0.01   0.00  -0.00
    72   6    -0.01  -0.00  -0.00    -0.02  -0.01  -0.00    -0.04  -0.02  -0.01
    73   6     0.00   0.00   0.00     0.00   0.01   0.00     0.01   0.02   0.01
    74   6    -0.01  -0.00  -0.00    -0.02  -0.01  -0.00    -0.03  -0.02  -0.01
    75   6     0.00   0.01   0.00     0.01   0.02   0.00     0.01   0.03   0.01
    76   6    -0.00  -0.01  -0.00    -0.00  -0.02  -0.00    -0.01  -0.03  -0.01
    77   6    -0.00   0.01   0.00    -0.01   0.02   0.00    -0.01   0.04   0.01
    78   6    -0.00  -0.00  -0.00    -0.00  -0.01  -0.00    -0.00  -0.02  -0.01
    79   6    -0.00   0.01   0.00    -0.01   0.02   0.00    -0.02   0.03   0.01
    80   1     0.01   0.01   0.00     0.01   0.00   0.00    -0.01   0.00  -0.00
    81   1    -0.00   0.01   0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
    82   1     0.00   0.00   0.00     0.00   0.00  -0.00     0.00   0.02  -0.00
    83   1     0.03   0.00  -0.00     0.01   0.00  -0.00    -0.03  -0.01   0.00
    84   1     0.01  -0.00   0.00     0.02  -0.02  -0.00    -0.01   0.01   0.00
    85   1    -0.03  -0.01  -0.00    -0.02   0.00   0.00     0.02   0.00  -0.00
    86   1     0.01  -0.01   0.00     0.02  -0.02  -0.00    -0.02   0.01  -0.00
    87   1    -0.02  -0.00   0.00     0.01   0.00   0.00    -0.00  -0.00   0.00
    88   1     0.02  -0.02  -0.00    -0.00  -0.00  -0.00     0.01  -0.02  -0.00
    89   1     0.02   0.01   0.00     0.01   0.00   0.00     0.03   0.01   0.00
    90   1     0.04  -0.04   0.02    -0.14   0.16  -0.08     0.06  -0.07   0.04
    91   1    -0.11  -0.02   0.04     0.38   0.07  -0.13    -0.17  -0.03   0.06
    92   1    -0.08   0.07  -0.04     0.29  -0.25   0.14    -0.13   0.11  -0.06
    93   1     0.06   0.02  -0.02    -0.19  -0.06   0.08     0.08   0.03  -0.03
    94   1    -0.05  -0.22   0.10    -0.01  -0.04   0.02     0.01   0.05  -0.02
    95   1     0.40   0.14   0.15     0.07   0.03   0.03    -0.10  -0.04  -0.03
    96   1     0.14   0.39  -0.16     0.02   0.07  -0.03    -0.03  -0.09   0.04
    97   1    -0.22  -0.05  -0.09    -0.04  -0.01  -0.01     0.05   0.01   0.02
    98   1    -0.03  -0.01   0.01    -0.10  -0.03   0.04    -0.20  -0.06   0.08
    99   1     0.04  -0.04   0.02     0.14  -0.12   0.07     0.28  -0.26   0.14
   100   1     0.05   0.01  -0.02     0.18   0.03  -0.06     0.37   0.06  -0.13
   101   1    -0.02   0.03  -0.01    -0.06   0.08  -0.04    -0.13   0.16  -0.08
   102   1     0.04   0.05   0.02    -0.14  -0.19  -0.07     0.06   0.08   0.03
   103   1     0.01  -0.02  -0.00    -0.02   0.07   0.02     0.01  -0.03  -0.01
   104   1     0.06   0.00   0.01    -0.22  -0.01  -0.02     0.10   0.01   0.01
   105   1    -0.03  -0.05  -0.02     0.10   0.16   0.05    -0.04  -0.07  -0.02
   106   1    -0.00   0.06   0.02     0.00  -0.20  -0.06    -0.00   0.09   0.02
   107   1     0.06  -0.04  -0.01    -0.19   0.13   0.02     0.09  -0.06  -0.01
   108   1     0.01   0.01   0.00    -0.05  -0.05  -0.02     0.02   0.02   0.01
   109   1     0.01  -0.07  -0.02    -0.03   0.23   0.06     0.01  -0.10  -0.03
   110   1     0.10  -0.23  -0.06     0.02  -0.04  -0.01    -0.02   0.06   0.02
   111   1    -0.07   0.02   0.02    -0.01   0.00   0.00     0.02  -0.00  -0.00
   112   1    -0.11  -0.22  -0.02    -0.02  -0.04  -0.00     0.03   0.05   0.00
   113   1    -0.10   0.18   0.06    -0.02   0.03   0.01     0.03  -0.05  -0.01
   114   1     0.18  -0.10  -0.06     0.03  -0.02  -0.01    -0.05   0.03   0.01
   115   1    -0.21  -0.11   0.03    -0.04  -0.02   0.00     0.05   0.03  -0.01
   116   1     0.02  -0.07  -0.02     0.00  -0.01  -0.00    -0.00   0.02   0.00
   117   1    -0.23   0.10   0.07    -0.04   0.02   0.01     0.06  -0.03  -0.02
   118   1    -0.02  -0.03  -0.01    -0.07  -0.09  -0.03    -0.15  -0.19  -0.06
   119   1    -0.00   0.01   0.00    -0.01   0.03   0.01    -0.02   0.06   0.02
   120   1    -0.04  -0.00  -0.00    -0.11  -0.00  -0.01    -0.24  -0.01  -0.02
   121   1     0.02   0.03   0.01     0.05   0.08   0.03     0.11   0.17   0.06
   122   1    -0.00  -0.03  -0.01    -0.00  -0.09  -0.03    -0.00  -0.20  -0.05
   123   1    -0.03   0.02   0.00    -0.09   0.06   0.01    -0.19   0.14   0.02
   124   1    -0.01  -0.01  -0.00    -0.03  -0.02  -0.01    -0.05  -0.05  -0.02
   125   1    -0.00   0.04   0.01    -0.01   0.11   0.03    -0.02   0.24   0.06
   126  17    -0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
                    232                    233                    234
                      A                      A                      A
 Frequencies --   1217.2379              1218.1839              1219.2796
 Red. masses --      1.4147                 1.3990                 1.3803
 Frc consts  --      1.2350                 1.2232                 1.2090
 IR Inten    --      0.8936                11.5224                 7.7934
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
     2   6     0.01  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
     3   6    -0.01  -0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
     4   6    -0.01   0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     5   6     0.01  -0.01   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     6   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
     7   6     0.00  -0.00   0.00    -0.01  -0.00   0.00     0.00  -0.00  -0.00
     8   6     0.01   0.00  -0.00    -0.01   0.00  -0.00    -0.00   0.01  -0.00
     9   6     0.00   0.01  -0.00     0.00  -0.01   0.00    -0.00   0.00  -0.00
    10   6     0.00   0.01  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    11   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    12   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    13   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    14   6     0.00  -0.00   0.00    -0.01   0.01  -0.00    -0.00  -0.00   0.00
    15   7    -0.01  -0.01   0.00     0.01   0.00  -0.00     0.01  -0.00   0.00
    16   6    -0.00   0.00  -0.00    -0.01  -0.00   0.00    -0.01   0.01  -0.00
    17   6     0.01   0.00  -0.00    -0.01  -0.00   0.00    -0.01   0.01  -0.00
    18   7     0.00  -0.01   0.00     0.00   0.01  -0.00     0.01  -0.00   0.00
    19   6    -0.00  -0.00   0.00     0.00   0.00   0.00     0.00  -0.01   0.00
    20   6     0.00   0.00   0.00    -0.00   0.00  -0.00    -0.01   0.01  -0.00
    21   6     0.00   0.00  -0.00    -0.00  -0.01   0.00     0.00  -0.00   0.00
    22   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.01   0.00
    23   6    -0.01  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    24   6     0.00   0.00  -0.00    -0.01   0.00   0.00     0.00   0.00  -0.00
    25   6    -0.01   0.00  -0.00     0.00  -0.00   0.00    -0.01   0.00  -0.00
    26   6    -0.02   0.01  -0.00     0.05  -0.02   0.01    -0.02   0.01  -0.00
    27   6     0.02  -0.00  -0.00    -0.05   0.00   0.01     0.01  -0.00  -0.00
    28   6     0.02  -0.01   0.00    -0.07   0.02  -0.00     0.02  -0.00   0.00
    29   6     0.01  -0.01   0.00    -0.04   0.02  -0.01     0.01  -0.01   0.00
    30   6    -0.02   0.00   0.00     0.05  -0.01  -0.01    -0.02   0.00   0.00
    31   6     0.04   0.04  -0.01     0.01   0.01  -0.00    -0.00  -0.00   0.00
    32   6    -0.04  -0.02  -0.01    -0.01  -0.01  -0.00     0.00   0.00   0.00
    33   6    -0.05  -0.05   0.00    -0.02  -0.02   0.00     0.00   0.00  -0.00
    34   6    -0.02  -0.04   0.01    -0.01  -0.01   0.00     0.00   0.00  -0.00
    35   6     0.04   0.04   0.00     0.01   0.01   0.00    -0.00  -0.00  -0.00
    36   6    -0.00   0.00   0.00     0.02  -0.00  -0.00     0.06  -0.01  -0.01
    37   6     0.00  -0.00  -0.00    -0.01   0.01  -0.00    -0.04   0.02  -0.01
    38   6     0.00   0.00  -0.00    -0.02   0.01   0.00    -0.07   0.02  -0.00
    39   6     0.00  -0.00   0.00    -0.01   0.00   0.00    -0.05   0.00   0.01
    40   6    -0.00   0.00  -0.00     0.01  -0.01   0.00     0.05  -0.02   0.01
    41   7    -0.01  -0.01   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    42   7     0.00  -0.00   0.00    -0.01   0.00  -0.00     0.00  -0.00   0.00
    43   7    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.01   0.00  -0.00
    44   6    -0.01   0.01   0.00     0.04  -0.03  -0.00    -0.01   0.01   0.00
    45   6    -0.01  -0.00  -0.00     0.04   0.01   0.01    -0.01  -0.00  -0.00
    46   6    -0.01   0.01   0.00     0.03  -0.03  -0.00    -0.01   0.01   0.00
    47   6    -0.02  -0.00  -0.00     0.05   0.01   0.01    -0.01  -0.00  -0.00
    48   6     0.05   0.02  -0.01     0.01   0.01  -0.00    -0.00  -0.00   0.00
    49   6     0.01   0.04   0.00     0.00   0.01   0.00    -0.00  -0.00  -0.00
    50   6     0.04   0.01  -0.01     0.01   0.00  -0.00    -0.00  -0.00   0.00
    51   6     0.02   0.05   0.00     0.01   0.01   0.00    -0.00  -0.00  -0.00
    52   6    -0.00   0.00   0.00     0.01  -0.01  -0.00     0.04  -0.03  -0.00
    53   6    -0.00  -0.00  -0.00     0.01   0.00   0.00     0.04   0.01   0.01
    54   6    -0.00   0.00   0.00     0.01  -0.01  -0.00     0.03  -0.03  -0.00
    55   6    -0.00  -0.00  -0.00     0.01   0.00   0.00     0.05   0.01   0.01
    56   6     0.01   0.00   0.00    -0.03  -0.01  -0.01     0.01   0.00   0.00
    57   6    -0.00  -0.01  -0.00     0.01   0.01   0.00    -0.00  -0.00  -0.00
    58   6     0.01   0.01   0.00    -0.02  -0.02  -0.01     0.00   0.00   0.00
    59   6    -0.00  -0.01  -0.00     0.00   0.02   0.01    -0.00  -0.01  -0.00
    60   6     0.00   0.01   0.00    -0.01  -0.02  -0.01     0.00   0.01   0.00
    61   6     0.00  -0.01  -0.00    -0.01   0.02   0.01     0.00  -0.01  -0.00
    62   6     0.00   0.01   0.00    -0.00  -0.02  -0.00     0.00   0.00   0.00
    63   6     0.01  -0.01  -0.00    -0.02   0.03   0.01     0.01  -0.01  -0.00
    64   6    -0.01  -0.04  -0.01    -0.00  -0.01  -0.00     0.00   0.00   0.00
    65   6    -0.01   0.01   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    66   6     0.01  -0.02  -0.01     0.00  -0.01  -0.00    -0.00   0.00   0.00
    67   6    -0.02   0.02   0.01    -0.01   0.00   0.00     0.00  -0.00  -0.00
    68   6     0.02  -0.02  -0.01     0.00  -0.01  -0.00    -0.00   0.00   0.00
    69   6    -0.02   0.01   0.01    -0.01   0.00   0.00     0.00  -0.00  -0.00
    70   6     0.01  -0.01  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    71   6    -0.04  -0.01   0.01    -0.01  -0.00   0.00     0.00   0.00  -0.00
    72   6     0.00   0.00   0.00    -0.01  -0.00  -0.00    -0.03  -0.01  -0.01
    73   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.01   0.02   0.00
    74   6     0.00   0.00   0.00    -0.01  -0.00  -0.00    -0.02  -0.02  -0.01
    75   6    -0.00  -0.00  -0.00     0.00   0.01   0.00     0.00   0.03   0.01
    76   6     0.00   0.00   0.00    -0.00  -0.01  -0.00    -0.01  -0.02  -0.01
    77   6     0.00  -0.00  -0.00    -0.00   0.01   0.00    -0.01   0.02   0.01
    78   6    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.02  -0.00
    79   6     0.00  -0.00  -0.00    -0.01   0.01   0.00    -0.02   0.03   0.01
    80   1    -0.02  -0.02   0.00     0.01   0.01  -0.00     0.02  -0.00  -0.00
    81   1     0.02   0.03  -0.01     0.00   0.00  -0.00     0.00  -0.00   0.00
    82   1     0.00  -0.02  -0.00     0.00   0.01  -0.00     0.00   0.01   0.00
    83   1    -0.00   0.00   0.01    -0.01  -0.01   0.01     0.00   0.00  -0.00
    84   1    -0.02   0.01  -0.01     0.02  -0.01   0.01    -0.01   0.00  -0.00
    85   1    -0.01   0.00   0.00     0.04   0.01  -0.01     0.03   0.00   0.01
    86   1    -0.00   0.00  -0.00    -0.02   0.02   0.00     0.00  -0.01  -0.00
    87   1     0.01   0.00   0.00    -0.01  -0.00  -0.00     0.05   0.00  -0.00
    88   1    -0.01   0.01  -0.00     0.01  -0.01   0.01    -0.04   0.04   0.02
    89   1    -0.03  -0.01   0.00     0.04   0.01  -0.00     0.01  -0.01  -0.01
    90   1    -0.12   0.09  -0.04     0.36  -0.27   0.13    -0.10   0.08  -0.04
    91   1     0.10   0.01  -0.03    -0.31  -0.04   0.09     0.09   0.01  -0.03
    92   1     0.08  -0.06   0.03    -0.24   0.18  -0.10     0.07  -0.05   0.03
    93   1    -0.15  -0.02   0.04     0.45   0.05  -0.13    -0.13  -0.02   0.04
    94   1     0.19   0.42  -0.14     0.06   0.13  -0.05    -0.01  -0.03   0.01
    95   1    -0.29  -0.13  -0.10    -0.09  -0.04  -0.03     0.02   0.01   0.01
    96   1    -0.12  -0.29   0.10    -0.04  -0.09   0.03     0.01   0.02  -0.01
    97   1     0.43   0.19   0.13     0.14   0.06   0.04    -0.03  -0.01  -0.01
    98   1    -0.01  -0.00   0.00     0.13   0.01  -0.04     0.47   0.04  -0.14
    99   1     0.01  -0.01   0.00    -0.08   0.06  -0.03    -0.26   0.21  -0.11
   100   1     0.01  -0.00  -0.00    -0.09  -0.01   0.03    -0.32  -0.03   0.10
   101   1    -0.00   0.00   0.00     0.09  -0.07   0.03     0.37  -0.29   0.14
   102   1     0.04   0.05   0.02    -0.11  -0.14  -0.05     0.03   0.04   0.01
   103   1     0.01  -0.02  -0.00    -0.02   0.05   0.01     0.00  -0.01  -0.00
   104   1     0.04   0.00   0.01    -0.13  -0.01  -0.02     0.03   0.00   0.00
   105   1    -0.02  -0.04  -0.02     0.07   0.12   0.05    -0.02  -0.03  -0.01
   106   1     0.00   0.05   0.02    -0.00  -0.15  -0.05     0.00   0.04   0.01
   107   1     0.04  -0.03  -0.00    -0.11   0.08   0.01     0.03  -0.02  -0.00
   108   1     0.01   0.01   0.00    -0.04  -0.04  -0.01     0.01   0.01   0.00
   109   1     0.01  -0.06  -0.02    -0.03   0.18   0.05     0.01  -0.05  -0.01
   110   1     0.07  -0.18  -0.05     0.02  -0.06  -0.02    -0.00   0.01   0.00
   111   1    -0.06   0.01   0.01    -0.02   0.00   0.00     0.00  -0.00  -0.00
   112   1    -0.06  -0.13  -0.01    -0.02  -0.04  -0.00     0.00   0.01   0.00
   113   1    -0.08   0.13   0.05    -0.03   0.04   0.01     0.01  -0.01  -0.00
   114   1     0.13  -0.08  -0.05     0.04  -0.03  -0.01    -0.01   0.01   0.00
   115   1    -0.13  -0.06   0.02    -0.04  -0.02   0.01     0.01   0.00  -0.00
   116   1     0.01  -0.06  -0.01     0.00  -0.02  -0.00    -0.00   0.00   0.00
   117   1    -0.18   0.08   0.05    -0.06   0.02   0.02     0.01  -0.00  -0.00
   118   1     0.00   0.00   0.00    -0.03  -0.04  -0.01    -0.12  -0.14  -0.05
   119   1    -0.00  -0.00  -0.00    -0.00   0.01   0.00    -0.01   0.05   0.01
   120   1     0.00   0.00   0.00    -0.04  -0.00  -0.00    -0.13  -0.01  -0.01
   121   1    -0.00  -0.00  -0.00     0.02   0.04   0.01     0.07   0.13   0.05
   122   1    -0.00   0.00   0.00    -0.00  -0.04  -0.01    -0.01  -0.15  -0.04
   123   1     0.00  -0.00  -0.00    -0.03   0.02   0.00    -0.11   0.08   0.01
   124   1     0.00   0.00   0.00    -0.01  -0.01  -0.00    -0.04  -0.04  -0.01
   125   1     0.00  -0.00  -0.00    -0.01   0.05   0.01    -0.02   0.19   0.05
   126  17     0.00   0.00   0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
                    235                    236                    237
                      A                      A                      A
 Frequencies --   1237.8826              1253.6900              1253.9878
 Red. masses --      2.2165                 2.2103                 2.4234
 Frc consts  --      2.0012                 2.0469                 2.2453
 IR Inten    --    134.5465                50.2618                19.1710
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.01  -0.00     0.00   0.02   0.00    -0.00  -0.02  -0.00
     2   6    -0.05  -0.03   0.00     0.04   0.01  -0.00    -0.03  -0.01   0.00
     3   6     0.06  -0.02  -0.00    -0.06   0.06  -0.00     0.04  -0.04   0.00
     4   6     0.08  -0.04   0.00    -0.05   0.05  -0.00     0.04  -0.04   0.00
     5   6    -0.02   0.06  -0.00     0.02  -0.04   0.00    -0.02   0.03  -0.00
     6   6    -0.03  -0.02   0.00     0.02   0.01   0.00    -0.02  -0.01  -0.00
     7   6     0.00   0.06  -0.00     0.02  -0.10   0.00    -0.01   0.08  -0.00
     8   6    -0.08   0.03  -0.00    -0.01   0.01   0.00     0.01  -0.01  -0.00
     9   6    -0.03  -0.09   0.00    -0.01  -0.03   0.00     0.01   0.03  -0.00
    10   6     0.03  -0.06   0.00    -0.03   0.01  -0.00     0.02  -0.01   0.00
    11   6    -0.00   0.02  -0.00     0.02  -0.01   0.00    -0.02   0.01  -0.00
    12   6    -0.02  -0.01   0.00     0.01  -0.01   0.00    -0.01   0.01  -0.00
    13   6     0.03  -0.01  -0.00     0.04  -0.03  -0.00    -0.03   0.02   0.00
    14   6    -0.03   0.00   0.00    -0.05   0.05  -0.00     0.04  -0.04   0.00
    15   7     0.06   0.05  -0.00     0.06   0.00  -0.00    -0.04  -0.00   0.00
    16   6    -0.05  -0.06   0.00    -0.05   0.01   0.00     0.04  -0.00  -0.00
    17   6    -0.10  -0.07   0.00    -0.06   0.00   0.00     0.04  -0.00  -0.00
    18   7     0.04   0.09  -0.00     0.07   0.01  -0.00    -0.05  -0.01   0.00
    19   6     0.02   0.04  -0.00     0.01  -0.00  -0.00    -0.01  -0.00   0.00
    20   6    -0.02   0.03  -0.00     0.01   0.02  -0.00    -0.00  -0.02   0.00
    21   6    -0.05  -0.05   0.00    -0.02  -0.06   0.00     0.02   0.04  -0.00
    22   6    -0.03   0.03   0.00     0.02   0.01  -0.00    -0.01  -0.01   0.00
    23   6     0.02   0.01   0.01    -0.03  -0.02  -0.01     0.02   0.02   0.00
    24   6     0.04  -0.01  -0.00    -0.04   0.01  -0.00     0.03  -0.01  -0.00
    25   6     0.09  -0.04   0.02     0.01  -0.02   0.02    -0.01   0.01  -0.01
    26   6    -0.00   0.00  -0.00    -0.01   0.01  -0.00     0.01  -0.01   0.00
    27   6    -0.00   0.01  -0.00     0.01  -0.01   0.01    -0.01   0.01  -0.00
    28   6     0.01  -0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.01
    29   6    -0.01  -0.01   0.01     0.01   0.00  -0.00    -0.01  -0.00   0.01
    30   6    -0.00  -0.00   0.00    -0.01  -0.00   0.00     0.00  -0.00   0.00
    31   6     0.01   0.01  -0.00    -0.00  -0.01   0.00     0.00   0.01  -0.00
    32   6    -0.01  -0.01   0.00     0.00   0.01  -0.00    -0.00  -0.01   0.00
    33   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    34   6    -0.01  -0.00  -0.00     0.01   0.00   0.01    -0.01  -0.00  -0.00
    35   6     0.01   0.01  -0.00    -0.00  -0.01   0.00     0.00   0.00  -0.00
    36   6     0.02   0.00  -0.01     0.01   0.00  -0.01    -0.00   0.00   0.00
    37   6    -0.03  -0.00   0.01    -0.01   0.01  -0.00     0.00   0.00  -0.00
    38   6     0.00  -0.01   0.00    -0.00  -0.01   0.02    -0.00  -0.01   0.01
    39   6    -0.01   0.02  -0.01     0.01   0.01  -0.01     0.00  -0.00  -0.00
    40   6     0.01   0.00  -0.01    -0.00   0.01  -0.01     0.00  -0.00   0.00
    41   7    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.01   0.01   0.00
    42   7     0.00   0.00   0.00    -0.00  -0.01  -0.00     0.01   0.03   0.01
    43   7     0.00  -0.00   0.00    -0.02  -0.09  -0.02    -0.04  -0.12  -0.03
    44   6    -0.00  -0.00  -0.00    -0.01   0.00  -0.00     0.04  -0.02  -0.00
    45   6    -0.01  -0.00  -0.00    -0.00   0.00  -0.00     0.01  -0.01  -0.00
    46   6    -0.01   0.01   0.00    -0.00   0.00   0.00    -0.01  -0.01  -0.00
    47   6    -0.00   0.00   0.00     0.01   0.00   0.00    -0.04   0.00  -0.00
    48   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.02   0.01  -0.00
    49   6     0.00   0.01   0.00    -0.00  -0.00   0.00     0.01  -0.00  -0.00
    50   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.01  -0.00
    51   6     0.00   0.00   0.00     0.00  -0.00  -0.00    -0.01  -0.01   0.00
    52   6    -0.00  -0.00  -0.00    -0.10   0.04   0.00    -0.13   0.06   0.00
    53   6    -0.01  -0.00  -0.00    -0.02   0.03   0.01    -0.01   0.05   0.01
    54   6    -0.00   0.01   0.00     0.02   0.03   0.01     0.04   0.03   0.01
    55   6     0.00   0.00   0.00     0.11  -0.01   0.00     0.14  -0.02   0.00
    56   6     0.00   0.00   0.00     0.00   0.00   0.00     0.01  -0.01  -0.00
    57   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.01   0.00
    58   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.01   0.01   0.00
    59   6     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.01  -0.00
    60   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.01  -0.01  -0.00
    61   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.01   0.01   0.00
    62   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    63   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.01  -0.00  -0.00
    64   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.01   0.00  -0.00
    65   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    66   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.01   0.00
    67   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.01  -0.00  -0.00
    68   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.01  -0.00
    69   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.01  -0.00   0.00
    70   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    71   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.01  -0.00
    72   6     0.00   0.00   0.00    -0.02   0.03   0.01    -0.03   0.03   0.01
    73   6    -0.00  -0.00  -0.00    -0.00  -0.02  -0.00    -0.00  -0.02  -0.01
    74   6    -0.00  -0.00  -0.00    -0.03  -0.02  -0.01    -0.04  -0.02  -0.01
    75   6     0.00  -0.00  -0.00     0.01   0.04   0.01     0.01   0.05   0.01
    76   6     0.00   0.00   0.00     0.02   0.04   0.01     0.02   0.05   0.01
    77   6    -0.00   0.00   0.00     0.02  -0.03  -0.01     0.02  -0.04  -0.01
    78   6     0.00   0.00   0.00    -0.00  -0.01  -0.00    -0.01  -0.02  -0.01
    79   6     0.00  -0.00  -0.00     0.04   0.01   0.00     0.05   0.01   0.01
    80   1     0.28   0.25  -0.00     0.04   0.00  -0.00    -0.04  -0.01   0.00
    81   1    -0.09  -0.20  -0.00     0.04   0.02   0.00    -0.03  -0.01  -0.00
    82   1     0.09   0.52  -0.02    -0.05  -0.33   0.01     0.04   0.25  -0.01
    83   1    -0.23  -0.07   0.01     0.03   0.01  -0.00    -0.02  -0.01   0.00
    84   1     0.14  -0.13  -0.00    -0.14   0.16  -0.00     0.11  -0.12   0.00
    85   1     0.20   0.03   0.01     0.45   0.07   0.01    -0.35  -0.06  -0.01
    86   1     0.01  -0.05  -0.00    -0.26   0.25  -0.01     0.20  -0.19   0.00
    87   1     0.13   0.06  -0.01    -0.14  -0.03  -0.00     0.10   0.02   0.00
    88   1     0.04  -0.04   0.01     0.07  -0.04   0.00    -0.06   0.04  -0.00
    89   1     0.40   0.11   0.00     0.28   0.06   0.00    -0.19  -0.04  -0.00
    90   1    -0.07   0.06  -0.04     0.00  -0.02  -0.01     0.00   0.01   0.01
    91   1     0.01   0.01  -0.01     0.10   0.00  -0.02    -0.09  -0.01   0.02
    92   1     0.00  -0.01   0.01     0.03  -0.01   0.01    -0.01  -0.00  -0.00
    93   1    -0.08  -0.01   0.03     0.02   0.00  -0.01    -0.02  -0.00   0.01
    94   1     0.02   0.03  -0.02     0.00   0.01  -0.00    -0.00  -0.01   0.00
    95   1    -0.06  -0.03  -0.01     0.04   0.03   0.01    -0.02  -0.02  -0.00
    96   1    -0.03  -0.06   0.02     0.03   0.04  -0.01    -0.02  -0.04   0.01
    97   1    -0.01   0.01   0.00     0.05   0.01   0.01    -0.04  -0.01  -0.01
    98   1    -0.04  -0.01   0.02     0.03   0.01  -0.01    -0.02  -0.00   0.00
    99   1    -0.09   0.05  -0.02    -0.04   0.04  -0.01    -0.05   0.06  -0.02
   100   1    -0.07   0.02   0.00     0.07   0.02  -0.02     0.06   0.01  -0.01
   101   1    -0.12   0.12  -0.06    -0.06   0.06  -0.04     0.05  -0.04   0.02
   102   1     0.02   0.02   0.01    -0.00  -0.00  -0.00     0.06   0.07   0.02
   103   1     0.00  -0.01  -0.00     0.00  -0.01  -0.00    -0.00   0.02   0.00
   104   1     0.00   0.00   0.00    -0.01  -0.00  -0.00     0.03   0.01   0.00
   105   1    -0.01  -0.02  -0.01     0.00   0.00  -0.00    -0.03  -0.06  -0.02
   106   1     0.00   0.02   0.01     0.00   0.02   0.01    -0.00  -0.08  -0.03
   107   1     0.00  -0.00  -0.00     0.01  -0.00  -0.00    -0.03   0.02   0.00
   108   1     0.01   0.01   0.00     0.00   0.00   0.00     0.01   0.01   0.00
   109   1     0.00  -0.02  -0.01     0.00  -0.03  -0.01    -0.02   0.11   0.03
   110   1     0.01  -0.02  -0.00     0.00   0.00   0.00    -0.02   0.05   0.01
   111   1    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.01   0.00   0.00
   112   1    -0.00  -0.01  -0.00     0.00   0.00   0.00     0.00   0.01   0.00
   113   1    -0.01   0.01   0.00    -0.00   0.00  -0.00     0.02  -0.03  -0.01
   114   1     0.01  -0.01  -0.00    -0.00   0.00   0.00     0.03  -0.02  -0.01
   115   1    -0.01  -0.00   0.00     0.00   0.00  -0.00    -0.02  -0.01   0.00
   116   1     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.01   0.00
   117   1    -0.01   0.01   0.00     0.00  -0.00  -0.00    -0.05   0.02   0.01
   118   1     0.01   0.02   0.01    -0.17  -0.19  -0.06    -0.24  -0.27  -0.09
   119   1     0.00  -0.01  -0.00     0.01  -0.05  -0.01     0.01  -0.05  -0.01
   120   1    -0.01  -0.00  -0.00    -0.09  -0.01  -0.01    -0.11  -0.02  -0.02
   121   1    -0.01  -0.02  -0.00     0.09   0.15   0.05     0.13   0.23   0.08
   122   1     0.00   0.02   0.00     0.01   0.20   0.06     0.01   0.25   0.07
   123   1    -0.00   0.00   0.00     0.06  -0.06  -0.01     0.08  -0.08  -0.02
   124   1     0.01   0.01   0.00    -0.02  -0.03  -0.01    -0.04  -0.04  -0.02
   125   1     0.00  -0.02  -0.01     0.04  -0.28  -0.07     0.05  -0.35  -0.09
   126  17    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
                    238                    239                    240
                      A                      A                      A
 Frequencies --   1254.1391              1254.6139              1261.4032
 Red. masses --      2.6849                 2.6979                 2.0191
 Frc consts  --      2.4881                 2.5021                 1.8928
 IR Inten    --    134.0935                47.5008               151.2686
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.01  -0.00     0.00  -0.00  -0.00     0.01   0.00  -0.00
     2   6    -0.01  -0.00   0.00    -0.00   0.00   0.00    -0.02   0.01  -0.00
     3   6     0.01  -0.01   0.00     0.00  -0.00  -0.00     0.01   0.00  -0.00
     4   6     0.01  -0.01   0.00    -0.00  -0.00   0.00     0.04   0.02  -0.00
     5   6    -0.01   0.01  -0.00    -0.00   0.00  -0.00     0.01   0.02  -0.00
     6   6    -0.01  -0.00   0.00    -0.00   0.00   0.00    -0.01  -0.02   0.00
     7   6    -0.01   0.03  -0.00     0.00   0.00   0.00    -0.04   0.00  -0.00
     8   6     0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.07   0.01  -0.00
     9   6     0.00   0.01  -0.00     0.00   0.00  -0.00     0.05   0.01  -0.00
    10   6     0.01  -0.00   0.00    -0.00   0.00  -0.00     0.03  -0.04   0.00
    11   6    -0.01   0.00  -0.00    -0.00  -0.00  -0.00     0.03  -0.00   0.00
    12   6    -0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.01  -0.00
    13   6    -0.01   0.01   0.00    -0.00   0.00  -0.00     0.01  -0.01   0.00
    14   6     0.01  -0.01   0.00     0.00  -0.00  -0.00     0.00   0.01   0.00
    15   7    -0.01  -0.00  -0.00    -0.00  -0.00   0.00    -0.02   0.01  -0.00
    16   6     0.02   0.00  -0.00    -0.00  -0.00   0.00     0.14   0.14  -0.00
    17   6     0.01  -0.00  -0.00     0.00  -0.00  -0.00    -0.04   0.06  -0.00
    18   7    -0.02  -0.00   0.00    -0.00  -0.00   0.00    -0.05  -0.02   0.00
    19   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.01  -0.08   0.00
    20   6    -0.00  -0.01   0.00     0.00  -0.00   0.00     0.00  -0.04  -0.00
    21   6     0.01   0.01  -0.00     0.00   0.00  -0.00    -0.03   0.04  -0.00
    22   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.03  -0.06   0.00
    23   6     0.01   0.01   0.00     0.00  -0.00   0.00    -0.01  -0.01   0.00
    24   6     0.01  -0.01   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    25   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.07  -0.01  -0.01
    26   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    27   6     0.00   0.01  -0.01    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    28   6    -0.00  -0.01   0.02     0.00   0.00  -0.01    -0.00   0.00  -0.00
    29   6    -0.01   0.00  -0.01     0.00  -0.00   0.00     0.00   0.00  -0.00
    30   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    31   6     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    32   6    -0.00  -0.00  -0.00    -0.01  -0.00  -0.01     0.00   0.00  -0.00
    33   6     0.00  -0.00   0.01     0.01  -0.01   0.02     0.00   0.00   0.00
    34   6    -0.00   0.00  -0.00     0.00   0.01  -0.01     0.00   0.00   0.00
    35   6     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    36   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.02  -0.01   0.00
    37   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.02  -0.01   0.01
    38   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    39   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.01   0.01  -0.01
    40   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.01   0.00
    41   7     0.04  -0.04  -0.01     0.11  -0.11  -0.04    -0.00  -0.00  -0.00
    42   7    -0.04  -0.15  -0.04     0.01   0.05   0.01     0.00   0.00   0.00
    43   7    -0.01  -0.03  -0.01    -0.00  -0.00  -0.00     0.00   0.00   0.00
    44   6    -0.17   0.07   0.00     0.06  -0.03  -0.00     0.00  -0.00  -0.00
    45   6    -0.02   0.06   0.01     0.01  -0.02  -0.01    -0.01  -0.00  -0.00
    46   6     0.05   0.04   0.01    -0.02  -0.01  -0.01    -0.01   0.01   0.00
    47   6     0.18  -0.02   0.01    -0.07   0.01  -0.00     0.00   0.00   0.00
    48   6    -0.05  -0.04   0.00    -0.15  -0.11   0.01    -0.01   0.00   0.00
    49   6    -0.02   0.00   0.01    -0.06   0.01   0.01     0.00   0.01   0.00
    50   6    -0.00   0.02   0.00    -0.01   0.06   0.01     0.01   0.00  -0.00
    51   6     0.04   0.05   0.00     0.11   0.15   0.00     0.00  -0.01  -0.00
    52   6    -0.03   0.01   0.00    -0.01   0.00   0.00     0.01  -0.01  -0.00
    53   6    -0.00   0.01   0.00    -0.00   0.00   0.00    -0.01  -0.00  -0.00
    54   6     0.01   0.01   0.00     0.00   0.00   0.00    -0.01   0.01   0.00
    55   6     0.03  -0.01   0.00     0.01  -0.00   0.00     0.00   0.01   0.00
    56   6    -0.04   0.04   0.01     0.01  -0.02  -0.00     0.00   0.00   0.00
    57   6    -0.00  -0.02  -0.01     0.00   0.01   0.00     0.00  -0.00  -0.00
    58   6    -0.05  -0.03  -0.01     0.02   0.01   0.00    -0.00  -0.00  -0.00
    59   6     0.01   0.07   0.02    -0.00  -0.02  -0.01     0.00  -0.00   0.00
    60   6     0.02   0.06   0.02    -0.01  -0.02  -0.01     0.00  -0.00  -0.00
    61   6     0.03  -0.05  -0.01    -0.01   0.02   0.00    -0.00   0.00   0.00
    62   6    -0.01  -0.02  -0.01     0.00   0.01   0.00     0.00   0.00   0.00
    63   6     0.06   0.02   0.01    -0.02  -0.01  -0.00     0.00  -0.00  -0.00
    64   6    -0.02  -0.00   0.00    -0.06  -0.01   0.01     0.00  -0.00  -0.00
    65   6     0.01  -0.01  -0.00     0.02  -0.02  -0.01    -0.00   0.00   0.00
    66   6    -0.00  -0.02  -0.00    -0.00  -0.06  -0.01    -0.00   0.00   0.00
    67   6    -0.02   0.01   0.01    -0.05   0.04   0.02    -0.00  -0.00  -0.00
    68   6    -0.01   0.02   0.01    -0.04   0.05   0.02    -0.00  -0.00   0.00
    69   6     0.02   0.00  -0.00     0.06   0.00  -0.01     0.00  -0.00  -0.00
    70   6     0.01  -0.01  -0.00     0.02  -0.02  -0.01     0.00  -0.00  -0.00
    71   6     0.00   0.02   0.00     0.01   0.06   0.01    -0.00   0.00   0.00
    72   6    -0.01   0.01   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    73   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
    74   6    -0.01  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    75   6     0.00   0.01   0.00     0.00   0.00   0.00     0.00  -0.00   0.00
    76   6     0.00   0.01   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    77   6     0.01  -0.01  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    78   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    79   6     0.01   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    80   1    -0.02  -0.01   0.00     0.00   0.00   0.00    -0.37  -0.21   0.00
    81   1    -0.01  -0.00  -0.00     0.00   0.01  -0.00    -0.05  -0.11  -0.00
    82   1     0.01   0.08  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
    83   1    -0.01  -0.00   0.00    -0.00  -0.00   0.00    -0.08  -0.04   0.00
    84   1     0.04  -0.04   0.00    -0.00   0.00   0.00     0.16  -0.13  -0.00
    85   1    -0.11  -0.02  -0.00    -0.01  -0.00  -0.00     0.09   0.00   0.00
    86   1     0.07  -0.06   0.00     0.00  -0.00   0.00    -0.04   0.05  -0.00
    87   1     0.03   0.01   0.00     0.00   0.00  -0.00    -0.43  -0.18   0.01
    88   1    -0.02   0.02  -0.00     0.00  -0.00  -0.00    -0.21   0.18   0.00
    89   1    -0.06  -0.01  -0.00    -0.01  -0.00  -0.00     0.57   0.04   0.00
    90   1    -0.00   0.01  -0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
    91   1     0.07   0.03  -0.02    -0.03  -0.01   0.01     0.01   0.00  -0.00
    92   1    -0.07   0.07  -0.02     0.02  -0.03   0.01     0.02  -0.01   0.01
    93   1     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.01   0.00   0.01
    94   1     0.00   0.00  -0.00    -0.00   0.01  -0.00     0.01   0.02  -0.01
    95   1    -0.04  -0.01  -0.01    -0.09  -0.02  -0.02    -0.00   0.00  -0.00
    96   1    -0.00   0.02  -0.00     0.02   0.09  -0.02     0.00  -0.01   0.01
    97   1    -0.01  -0.00  -0.00    -0.01   0.00  -0.00     0.01   0.00   0.01
    98   1    -0.01  -0.00   0.00     0.00   0.00  -0.00    -0.10  -0.03   0.03
    99   1    -0.01   0.01  -0.00    -0.00   0.00  -0.00    -0.09   0.05  -0.02
   100   1     0.01   0.00  -0.00     0.00   0.00  -0.00    -0.02   0.01  -0.00
   101   1     0.01  -0.01   0.01     0.00  -0.00   0.00    -0.00  -0.01  -0.01
   102   1    -0.29  -0.35  -0.12     0.11   0.13   0.04     0.01   0.02   0.01
   103   1     0.02  -0.07  -0.02    -0.01   0.02   0.01     0.00  -0.00  -0.00
   104   1    -0.13  -0.03  -0.02     0.05   0.01   0.01    -0.00  -0.00  -0.00
   105   1     0.15   0.28   0.10    -0.06  -0.10  -0.04    -0.01  -0.02  -0.01
   106   1     0.01   0.31   0.10    -0.00  -0.11  -0.04     0.00   0.02   0.01
   107   1     0.11  -0.09  -0.02    -0.04   0.03   0.01    -0.01   0.01   0.00
   108   1    -0.05  -0.05  -0.02     0.02   0.02   0.01     0.00   0.00   0.00
   109   1     0.08  -0.43  -0.11    -0.03   0.16   0.04     0.00  -0.01  -0.00
   110   1     0.05  -0.15  -0.04     0.16  -0.43  -0.11     0.01  -0.02  -0.01
   111   1     0.02  -0.01  -0.01     0.07  -0.02  -0.02    -0.01   0.00   0.00
   112   1    -0.02  -0.05  -0.01    -0.05  -0.13  -0.02     0.00   0.01   0.00
   113   1    -0.06   0.09   0.03    -0.17   0.28   0.10    -0.02   0.02   0.01
   114   1    -0.09   0.06   0.03    -0.28   0.18   0.10     0.02  -0.01  -0.01
   115   1     0.04   0.01  -0.01     0.13   0.04  -0.02     0.01   0.00  -0.00
   116   1     0.01  -0.02  -0.01     0.02  -0.07  -0.02     0.00  -0.01  -0.00
   117   1     0.14  -0.05  -0.04     0.43  -0.16  -0.12    -0.02   0.01   0.00
   118   1    -0.06  -0.06  -0.02    -0.01  -0.01  -0.00     0.02   0.02   0.01
   119   1     0.00  -0.01  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
   120   1    -0.03  -0.00  -0.00    -0.00  -0.00  -0.00    -0.01  -0.00  -0.00
   121   1     0.03   0.05   0.02     0.00   0.01   0.00    -0.01  -0.03  -0.01
   122   1     0.00   0.06   0.02     0.00   0.01   0.00     0.00   0.02   0.01
   123   1     0.02  -0.02  -0.00     0.00  -0.00  -0.00    -0.01   0.01   0.00
   124   1    -0.01  -0.01  -0.00    -0.00  -0.00  -0.00     0.01   0.01   0.00
   125   1     0.01  -0.08  -0.02     0.00  -0.01  -0.00    -0.00  -0.01  -0.00
   126  17    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
                    241                    242                    243
                      A                      A                      A
 Frequencies --   1266.7504              1266.9346              1267.1206
 Red. masses --      2.7536                 2.7536                 2.7128
 Frc consts  --      2.6033                 2.6041                 2.5662
 IR Inten    --     18.6239                11.8484                30.8384
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.01  -0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
     2   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
     3   6     0.00   0.01  -0.00     0.00   0.00  -0.00    -0.00   0.01  -0.00
     4   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.01   0.01  -0.00
     5   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
     6   6     0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
     7   6     0.01  -0.01   0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     8   6     0.00  -0.00   0.00    -0.00   0.01  -0.00    -0.01  -0.00   0.00
     9   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.01   0.00
    10   6    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.01   0.00
    11   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00   0.00   0.00
    12   6     0.00  -0.00   0.00     0.01   0.00   0.00     0.00  -0.00   0.00
    13   6     0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    14   6    -0.00   0.00  -0.00    -0.00  -0.01   0.00    -0.00   0.01   0.00
    15   7    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00   0.01  -0.00
    16   6    -0.00  -0.01   0.00     0.00   0.00  -0.00     0.01   0.01  -0.00
    17   6     0.01  -0.01   0.00    -0.01   0.00  -0.00    -0.01   0.00   0.00
    18   7    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    19   6     0.00   0.01  -0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    20   6    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    21   6     0.01  -0.00   0.00    -0.01  -0.00  -0.00    -0.00  -0.00  -0.00
    22   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    23   6    -0.00  -0.01   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    24   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
    25   6    -0.01   0.00  -0.00     0.01  -0.00   0.00     0.01  -0.00   0.00
    26   6    -0.00  -0.00   0.00    -0.04  -0.01   0.01    -0.01  -0.00   0.00
    27   6     0.00  -0.00   0.00     0.03  -0.00  -0.00     0.01  -0.00  -0.00
    28   6     0.00  -0.00  -0.00     0.10  -0.03   0.00     0.03  -0.01   0.00
    29   6     0.00  -0.00   0.00     0.03  -0.01   0.01     0.01  -0.00   0.00
    30   6    -0.00   0.00   0.00    -0.03   0.03  -0.01    -0.01   0.01  -0.00
    31   6    -0.04  -0.01  -0.01    -0.00  -0.00  -0.00     0.01   0.00   0.00
    32   6     0.02   0.02   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    33   6     0.08   0.08  -0.00     0.00   0.00   0.00    -0.01  -0.01   0.00
    34   6     0.02   0.02  -0.01     0.00   0.00  -0.00    -0.00  -0.00   0.00
    35   6    -0.01  -0.04   0.01    -0.00  -0.00   0.00     0.00   0.01  -0.00
    36   6    -0.01   0.01  -0.00     0.01  -0.01   0.00    -0.02   0.03  -0.01
    37   6     0.01  -0.00   0.00    -0.01   0.00  -0.00     0.02  -0.01   0.01
    38   6     0.02  -0.01  -0.00    -0.03   0.01   0.00     0.10  -0.03   0.00
    39   6     0.01  -0.00   0.00    -0.01   0.00   0.00     0.02  -0.00  -0.01
    40   6    -0.01  -0.00   0.00     0.01   0.00  -0.00    -0.03  -0.01   0.01
    41   7    -0.01  -0.01   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    42   7    -0.00  -0.00  -0.00    -0.01   0.00   0.00    -0.00   0.00   0.00
    43   7    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.01   0.00  -0.00
    44   6    -0.00   0.00   0.00    -0.05   0.13   0.03    -0.01   0.03   0.01
    45   6     0.00   0.00   0.00     0.16   0.06   0.03     0.04   0.01   0.01
    46   6     0.00  -0.00  -0.00     0.11  -0.13  -0.02     0.03  -0.03  -0.01
    47   6    -0.00  -0.00  -0.00    -0.11  -0.09  -0.03    -0.03  -0.02  -0.01
    48   6    -0.14   0.02   0.03    -0.01   0.00   0.00     0.03  -0.00  -0.01
    49   6     0.03   0.16   0.02     0.00   0.01   0.00    -0.01  -0.03  -0.00
    50   6     0.16   0.03  -0.03     0.01   0.00  -0.00    -0.03  -0.01   0.00
    51   6     0.02  -0.14  -0.03     0.00  -0.01  -0.00    -0.00   0.03   0.01
    52   6    -0.01   0.03   0.01     0.01  -0.03  -0.01    -0.05   0.13   0.03
    53   6     0.03   0.01   0.00    -0.04  -0.01  -0.01     0.15   0.05   0.02
    54   6     0.02  -0.03  -0.00    -0.03   0.03   0.01     0.10  -0.13  -0.02
    55   6    -0.02  -0.02  -0.01     0.03   0.02   0.01    -0.11  -0.09  -0.03
    56   6    -0.00  -0.00  -0.00    -0.04  -0.04  -0.02    -0.01  -0.01  -0.00
    57   6    -0.00   0.00   0.00    -0.01   0.06   0.02    -0.00   0.01   0.00
    58   6     0.00   0.00   0.00     0.04   0.05   0.02     0.01   0.01   0.00
    59   6    -0.00  -0.00  -0.00    -0.07  -0.02  -0.01    -0.02  -0.00  -0.00
    60   6    -0.00   0.00   0.00    -0.05   0.05   0.01    -0.01   0.01   0.00
    61   6     0.00  -0.00  -0.00     0.01  -0.06  -0.02     0.00  -0.01  -0.00
    62   6    -0.00  -0.00  -0.00    -0.04  -0.05  -0.02    -0.01  -0.01  -0.00
    63   6    -0.00   0.00   0.00    -0.01   0.06   0.01    -0.00   0.01   0.00
    64   6     0.02  -0.05  -0.01     0.00  -0.00  -0.00    -0.00   0.01   0.00
    65   6    -0.06   0.02   0.02    -0.00   0.00   0.00     0.01  -0.00  -0.00
    66   6    -0.02   0.06   0.02    -0.00   0.00   0.00     0.00  -0.01  -0.00
    67   6    -0.02  -0.07  -0.01    -0.00  -0.00  -0.00     0.00   0.01   0.00
    68   6    -0.07  -0.02   0.01    -0.00  -0.00   0.00     0.01   0.00  -0.00
    69   6     0.06  -0.02  -0.02     0.00  -0.00  -0.00    -0.01   0.00   0.00
    70   6     0.02  -0.06  -0.02     0.00  -0.00  -0.00    -0.00   0.01   0.00
    71   6    -0.05   0.02   0.01    -0.00   0.00   0.00     0.01  -0.00  -0.00
    72   6    -0.01  -0.01  -0.00     0.01   0.01   0.00    -0.04  -0.04  -0.01
    73   6    -0.00   0.01   0.00     0.00  -0.02  -0.00    -0.01   0.06   0.02
    74   6     0.01   0.01   0.00    -0.01  -0.01  -0.00     0.04   0.04   0.02
    75   6    -0.01  -0.00  -0.00     0.02   0.00   0.00    -0.07  -0.01  -0.01
    76   6    -0.01   0.01   0.00     0.01  -0.01  -0.00    -0.05   0.05   0.01
    77   6     0.00  -0.01  -0.00    -0.00   0.02   0.00     0.01  -0.06  -0.02
    78   6    -0.01  -0.01  -0.00     0.01   0.01   0.00    -0.04  -0.04  -0.02
    79   6    -0.00   0.01   0.00     0.00  -0.01  -0.00    -0.01   0.05   0.01
    80   1     0.02   0.02  -0.00    -0.00  -0.01   0.00    -0.03  -0.01  -0.00
    81   1    -0.01  -0.05   0.01    -0.00  -0.01   0.00    -0.01  -0.03  -0.00
    82   1    -0.01  -0.01   0.00     0.00   0.01  -0.00     0.00  -0.00  -0.00
    83   1    -0.01  -0.00  -0.01    -0.01  -0.00  -0.00    -0.02  -0.01   0.00
    84   1    -0.02   0.02   0.00    -0.03   0.03  -0.01     0.01  -0.00  -0.00
    85   1     0.00  -0.00   0.00    -0.01  -0.01   0.01     0.04   0.01   0.00
    86   1    -0.02   0.02  -0.00     0.00  -0.01  -0.00    -0.03   0.03  -0.00
    87   1     0.02   0.01  -0.00    -0.01  -0.01  -0.00    -0.05  -0.02   0.00
    88   1     0.01  -0.01  -0.00    -0.01   0.01   0.00    -0.02   0.01  -0.01
    89   1    -0.06  -0.01   0.00     0.06   0.01  -0.00     0.06   0.01   0.01
    90   1    -0.00  -0.00  -0.00    -0.13   0.06  -0.03    -0.03   0.02  -0.01
    91   1     0.00  -0.00   0.00    -0.07  -0.01   0.05    -0.01  -0.00   0.01
    92   1    -0.00   0.00  -0.00    -0.06   0.05  -0.05    -0.01   0.01  -0.01
    93   1    -0.00  -0.00  -0.00    -0.15   0.01   0.03    -0.04   0.00   0.01
    94   1    -0.08  -0.12   0.03    -0.00  -0.00   0.00     0.02   0.03  -0.01
    95   1    -0.07  -0.03  -0.05    -0.00  -0.00  -0.00     0.02   0.01   0.01
    96   1    -0.03  -0.07   0.05    -0.00  -0.00   0.00     0.01   0.01  -0.01
    97   1    -0.12  -0.09  -0.03    -0.01  -0.00  -0.00     0.03   0.02   0.01
    98   1    -0.02   0.01   0.00     0.03  -0.01  -0.01    -0.15   0.01   0.03
    99   1    -0.00   0.00  -0.01     0.00  -0.01   0.01    -0.07   0.05  -0.05
   100   1    -0.01  -0.00   0.01     0.01   0.00  -0.01    -0.08  -0.01   0.05
   101   1    -0.02   0.01  -0.00     0.03  -0.01   0.00    -0.14   0.08  -0.03
   102   1    -0.00  -0.00  -0.00    -0.15  -0.23  -0.08    -0.04  -0.05  -0.02
   103   1    -0.00   0.00   0.00    -0.04   0.11   0.03    -0.01   0.03   0.01
   104   1     0.00   0.00   0.00     0.23   0.04   0.03     0.06   0.01   0.01
   105   1     0.00   0.00   0.00     0.19   0.39   0.14     0.05   0.10   0.03
   106   1    -0.00  -0.00  -0.00    -0.03  -0.44  -0.14    -0.01  -0.11  -0.03
   107   1     0.00  -0.00  -0.00     0.18  -0.15  -0.03     0.04  -0.04  -0.01
   108   1    -0.00  -0.00  -0.00    -0.09  -0.08  -0.03    -0.02  -0.02  -0.01
   109   1    -0.00   0.00   0.00    -0.02   0.28   0.08    -0.00   0.07   0.02
   110   1     0.12  -0.25  -0.07     0.00  -0.01  -0.00    -0.02   0.05   0.01
   111   1    -0.11   0.02   0.03    -0.00   0.00   0.00     0.02  -0.00  -0.01
   112   1     0.08   0.23   0.03     0.00   0.01   0.00    -0.01  -0.04  -0.00
   113   1    -0.25   0.37   0.14    -0.01   0.01   0.01     0.05  -0.07  -0.02
   114   1     0.36  -0.25  -0.14     0.02  -0.01  -0.01    -0.07   0.05   0.03
   115   1     0.23   0.08  -0.03     0.01   0.00  -0.00    -0.04  -0.01   0.01
   116   1     0.02  -0.11  -0.03     0.00  -0.00  -0.00    -0.00   0.02   0.00
   117   1    -0.25   0.13   0.08    -0.01   0.01   0.00     0.04  -0.02  -0.01
   118   1    -0.03  -0.05  -0.02     0.04   0.06   0.02    -0.15  -0.22  -0.07
   119   1    -0.01   0.02   0.01     0.01  -0.03  -0.01    -0.03   0.11   0.03
   120   1     0.05   0.01   0.01    -0.06  -0.01  -0.01     0.22   0.04   0.03
   121   1     0.04   0.08   0.03    -0.05  -0.10  -0.03     0.20   0.38   0.13
   122   1    -0.01  -0.08  -0.03     0.01   0.11   0.03    -0.05  -0.43  -0.13
   123   1     0.03  -0.03  -0.01    -0.04   0.04   0.01     0.17  -0.16  -0.03
   124   1    -0.02  -0.01  -0.01     0.02   0.02   0.01    -0.09  -0.07  -0.03
   125   1    -0.00   0.05   0.01     0.00  -0.07  -0.02    -0.01   0.26   0.07
   126  17    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
                    244                    245                    246
                      A                      A                      A
 Frequencies --   1281.4660              1288.0611              1292.5924
 Red. masses --      2.0552                 2.9615                 1.8103
 Frc consts  --      1.9885                 2.8949                 1.7821
 IR Inten    --     18.7982                44.7494                13.2699
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.07  -0.05   0.00     0.04  -0.02  -0.00    -0.03  -0.03   0.00
     2   6     0.02  -0.02   0.00     0.03   0.03  -0.00     0.04   0.03   0.00
     3   6    -0.03  -0.08   0.00    -0.08   0.01   0.00    -0.07  -0.06   0.00
     4   6    -0.06  -0.02   0.00    -0.05  -0.05   0.00    -0.02   0.01  -0.00
     5   6     0.02  -0.01  -0.00     0.00  -0.01  -0.00     0.03   0.00  -0.00
     6   6     0.00  -0.00  -0.00    -0.01   0.03   0.00    -0.00  -0.02  -0.00
     7   6    -0.01   0.07  -0.00     0.02  -0.02   0.00    -0.08   0.02  -0.00
     8   6     0.01   0.08  -0.00     0.06   0.03  -0.00    -0.02  -0.05   0.00
     9   6    -0.00   0.03  -0.00     0.00   0.08  -0.00     0.02  -0.04   0.00
    10   6    -0.02   0.05  -0.00     0.09   0.00  -0.00     0.03   0.03  -0.00
    11   6    -0.00  -0.02  -0.00    -0.00  -0.04   0.00     0.04   0.01  -0.00
    12   6     0.01   0.01   0.00     0.07   0.01   0.00    -0.09  -0.01  -0.00
    13   6    -0.03   0.02  -0.00    -0.01   0.00  -0.00     0.00   0.02   0.00
    14   6     0.03  -0.07   0.00     0.00  -0.03   0.00     0.01   0.05  -0.00
    15   7     0.04  -0.05   0.00    -0.08  -0.04   0.00    -0.02   0.02  -0.00
    16   6    -0.08   0.04  -0.00     0.02  -0.06   0.00     0.02  -0.02   0.00
    17   6    -0.06   0.06  -0.00     0.05  -0.05   0.00     0.03  -0.05   0.00
    18   7     0.07  -0.03   0.00     0.01   0.04  -0.00    -0.01   0.02  -0.00
    19   6    -0.00  -0.02   0.00     0.01  -0.00  -0.00     0.00   0.00  -0.00
    20   6     0.02   0.03  -0.00    -0.02  -0.00  -0.00    -0.01  -0.01  -0.00
    21   6    -0.03  -0.07   0.00    -0.14   0.12  -0.00    -0.02   0.04  -0.00
    22   6     0.02  -0.01   0.00    -0.11  -0.02   0.00    -0.03   0.01   0.00
    23   6     0.07   0.08  -0.01    -0.01  -0.03   0.01     0.02   0.05  -0.02
    24   6    -0.01   0.00  -0.00    -0.07   0.03  -0.01     0.09  -0.05   0.03
    25   6    -0.00  -0.03   0.03     0.21  -0.05  -0.01     0.04   0.00  -0.01
    26   6     0.00  -0.00  -0.00    -0.01   0.00  -0.00     0.01   0.00  -0.01
    27   6     0.00  -0.00   0.00     0.01  -0.02   0.01    -0.00   0.03  -0.02
    28   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.01   0.01
    29   6    -0.00   0.00  -0.00     0.02   0.01  -0.01    -0.03  -0.00   0.01
    30   6     0.00  -0.00   0.00    -0.01  -0.00   0.00     0.02   0.01  -0.01
    31   6     0.01   0.01  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    32   6     0.00  -0.03   0.02    -0.00   0.01  -0.01     0.01  -0.01   0.01
    33   6     0.01   0.01  -0.00     0.01  -0.00   0.00    -0.00   0.01  -0.00
    34   6    -0.03  -0.01  -0.01     0.01   0.01   0.00    -0.01  -0.01  -0.00
    35   6     0.01   0.01   0.00    -0.01  -0.00  -0.00     0.01   0.00   0.01
    36   6     0.01   0.01  -0.01     0.04  -0.00  -0.00     0.00  -0.00   0.00
    37   6    -0.00   0.01  -0.00    -0.05  -0.02   0.03    -0.01  -0.01   0.01
    38   6     0.00  -0.01   0.01     0.00   0.00  -0.00     0.00   0.01  -0.00
    39   6     0.01   0.01  -0.01    -0.03   0.04  -0.03    -0.01   0.01  -0.00
    40   6    -0.01   0.01  -0.01     0.04  -0.03   0.01     0.01  -0.01   0.01
    41   7     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    42   7    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    43   7     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
    44   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    45   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    46   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    47   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
    48   6    -0.01   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    49   6     0.00   0.01   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    50   6     0.01   0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
    51   6    -0.00  -0.01  -0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
    52   6     0.00   0.01   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    53   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    54   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
    55   6    -0.01   0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    56   6    -0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    57   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    58   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    59   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    60   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    61   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
    62   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    63   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
    64   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    65   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    66   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    67   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    68   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    69   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
    70   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
    71   6    -0.00   0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    72   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
    73   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    74   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    75   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    76   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    77   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    78   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
    79   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    80   1     0.07  -0.08   0.00    -0.03  -0.02  -0.00    -0.05   0.03  -0.00
    81   1     0.17   0.56  -0.01     0.07   0.17   0.00     0.15   0.46  -0.01
    82   1     0.02  -0.00   0.00    -0.03  -0.15   0.00    -0.01  -0.19   0.00
    83   1     0.18   0.04  -0.00     0.04   0.04  -0.00     0.17   0.02   0.00
    84   1    -0.02  -0.01   0.00    -0.27   0.24  -0.00     0.39  -0.35   0.01
    85   1    -0.20  -0.03  -0.01    -0.16  -0.04  -0.00     0.38   0.12   0.00
    86   1     0.26  -0.30   0.01     0.01  -0.04   0.00    -0.14   0.21  -0.00
    87   1    -0.16  -0.05   0.00     0.54   0.11  -0.00     0.14   0.03  -0.00
    88   1     0.04   0.02  -0.00     0.04  -0.07   0.00     0.02  -0.05   0.00
    89   1     0.46   0.07   0.01     0.18   0.03  -0.01    -0.17  -0.02  -0.00
    90   1     0.02  -0.01   0.01     0.10  -0.09   0.05    -0.13   0.12  -0.06
    91   1    -0.00  -0.00   0.00     0.09  -0.01  -0.01    -0.11   0.01   0.01
    92   1     0.00  -0.00   0.00     0.05  -0.02   0.01    -0.07   0.03  -0.01
    93   1     0.01   0.00  -0.00     0.06   0.01  -0.02    -0.05   0.00   0.02
    94   1    -0.05  -0.14   0.05     0.01   0.05  -0.02    -0.03  -0.09   0.03
    95   1    -0.10  -0.07  -0.02     0.03   0.02   0.00    -0.05  -0.03  -0.01
    96   1    -0.05  -0.06   0.01     0.02   0.03  -0.01    -0.02  -0.02   0.00
    97   1    -0.09  -0.04  -0.04    -0.02  -0.01  -0.01    -0.02  -0.02  -0.02
    98   1     0.05   0.02  -0.02    -0.27  -0.06   0.09    -0.07  -0.02   0.02
    99   1     0.00   0.00  -0.00    -0.22   0.11  -0.04    -0.04   0.02  -0.00
   100   1     0.01   0.01  -0.01    -0.22   0.03   0.03    -0.05   0.00   0.01
   101   1    -0.08   0.07  -0.04    -0.10   0.10  -0.04     0.00  -0.00   0.01
   102   1     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
   103   1     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
   104   1    -0.01  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
   105   1    -0.00  -0.01  -0.00    -0.00  -0.01  -0.00     0.00   0.00   0.00
   106   1     0.00   0.01   0.00     0.00   0.01   0.00    -0.00  -0.01  -0.01
   107   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.01  -0.01  -0.00
   108   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
   109   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.01   0.00
   110   1     0.00  -0.01  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
   111   1    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
   112   1     0.00   0.01   0.00     0.00   0.00   0.00     0.00   0.01   0.00
   113   1    -0.01   0.01   0.01    -0.00   0.00  -0.00    -0.00   0.01   0.00
   114   1     0.01  -0.01  -0.01     0.01  -0.00  -0.00     0.00  -0.00  -0.00
   115   1     0.01   0.00  -0.00     0.01   0.00  -0.00     0.00   0.00  -0.00
   116   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
   117   1    -0.01   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
   118   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
   119   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
   120   1     0.00   0.00   0.00    -0.01  -0.00  -0.00    -0.00  -0.00  -0.00
   121   1     0.00   0.00   0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
   122   1    -0.00  -0.02  -0.01     0.00   0.00  -0.00     0.00   0.01   0.00
   123   1     0.01  -0.01  -0.00    -0.01   0.01   0.00    -0.01   0.01   0.00
   124   1     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
   125   1    -0.00   0.01   0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
   126  17    -0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
                    247                    248                    249
                      A                      A                      A
 Frequencies --   1307.6176              1312.2482              1317.8158
 Red. masses --      3.5242                 3.2436                 3.7808
 Frc consts  --      3.5503                 3.2908                 3.8685
 IR Inten    --      5.3689                 6.5217                10.4557
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.12   0.12  -0.00    -0.16   0.07   0.01     0.05  -0.01  -0.00
     2   6     0.05   0.08  -0.00     0.02  -0.07  -0.00    -0.00   0.04   0.00
     3   6    -0.02  -0.07   0.00     0.06   0.05  -0.00    -0.02  -0.06   0.00
     4   6    -0.04  -0.12   0.00    -0.04   0.03  -0.00     0.02   0.02  -0.00
     5   6    -0.07  -0.01   0.00     0.02  -0.06   0.00    -0.00   0.03  -0.00
     6   6     0.00   0.04   0.00     0.03  -0.01  -0.00     0.00  -0.01   0.00
     7   6    -0.02  -0.05   0.00    -0.01  -0.05   0.00    -0.09   0.01  -0.00
     8   6     0.08  -0.02   0.00     0.01  -0.00   0.00    -0.04   0.08  -0.00
     9   6    -0.02   0.10  -0.00    -0.00   0.01  -0.00     0.05  -0.06   0.00
    10   6     0.02   0.09  -0.00    -0.01  -0.01  -0.00    -0.01  -0.00   0.00
    11   6    -0.04   0.00  -0.00     0.00  -0.01  -0.00     0.06  -0.07  -0.00
    12   6    -0.12   0.09   0.00     0.02   0.06   0.00     0.08   0.11   0.01
    13   6    -0.05   0.01   0.00    -0.00  -0.02  -0.00    -0.02  -0.04  -0.00
    14   6     0.06  -0.00  -0.00    -0.00  -0.00  -0.00    -0.01  -0.03  -0.00
    15   7     0.00  -0.06   0.00     0.01  -0.01   0.00     0.03   0.01  -0.00
    16   6    -0.07   0.00  -0.00    -0.01   0.00  -0.00    -0.05   0.00   0.00
    17   6    -0.01   0.04  -0.00     0.01   0.01  -0.00    -0.03  -0.01  -0.00
    18   7     0.04  -0.03   0.00     0.01  -0.00   0.00    -0.00   0.01  -0.00
    19   6    -0.00   0.01  -0.00    -0.00  -0.02   0.00    -0.01   0.00  -0.00
    20   6     0.02   0.03  -0.00    -0.01   0.00  -0.00    -0.00   0.01  -0.00
    21   6    -0.03  -0.06  -0.00    -0.03   0.04   0.00     0.03   0.01   0.00
    22   6    -0.01   0.00   0.00    -0.01  -0.01   0.00     0.03  -0.01  -0.00
    23   6    -0.13  -0.12  -0.01    -0.08   0.17  -0.14     0.02  -0.06   0.04
    24   6     0.15  -0.00  -0.03     0.01   0.07  -0.05     0.00   0.19  -0.14
    25   6    -0.01  -0.06   0.05     0.05   0.02  -0.02    -0.00   0.06  -0.05
    26   6     0.04  -0.04   0.02     0.02  -0.03   0.02     0.04  -0.08   0.05
    27   6    -0.04   0.02  -0.01    -0.03  -0.02   0.02    -0.08  -0.06   0.06
    28   6     0.01   0.03  -0.02     0.01   0.04  -0.03     0.04   0.13  -0.09
    29   6    -0.03  -0.03   0.03     0.02  -0.03   0.02     0.06  -0.08   0.04
    30   6     0.01  -0.01   0.01    -0.03  -0.02   0.02    -0.10  -0.05   0.06
    31   6    -0.02  -0.05   0.02     0.01  -0.07   0.05    -0.00   0.03  -0.02
    32   6     0.01   0.05  -0.02     0.09  -0.01   0.05    -0.03   0.01  -0.02
    33   6    -0.01   0.02  -0.01    -0.08   0.08  -0.08     0.04  -0.03   0.04
    34   6     0.04  -0.01   0.03    -0.02  -0.09   0.04     0.01   0.03  -0.01
    35   6    -0.02  -0.01  -0.00     0.10   0.01   0.05    -0.04  -0.01  -0.02
    36   6     0.03   0.02  -0.02    -0.01  -0.01   0.01    -0.05  -0.02   0.02
    37   6    -0.02   0.03  -0.01    -0.00  -0.02   0.01     0.02  -0.03   0.02
    38   6    -0.01  -0.04   0.03     0.01   0.02  -0.02     0.02   0.07  -0.05
    39   6     0.03   0.02  -0.02    -0.02   0.00   0.00    -0.03  -0.02   0.02
    40   6    -0.01   0.03  -0.02     0.02  -0.02   0.01     0.02  -0.03   0.02
    41   7     0.00   0.01   0.00    -0.01   0.01   0.01     0.01  -0.01  -0.00
    42   7    -0.00   0.00   0.00     0.00   0.01   0.00     0.01   0.03   0.01
    43   7    -0.00  -0.00  -0.00    -0.00   0.00   0.00     0.01   0.02   0.01
    44   6    -0.00  -0.01  -0.00    -0.01  -0.01  -0.00    -0.02  -0.05  -0.01
    45   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.01   0.01   0.00
    46   6     0.00   0.00   0.00     0.00   0.00   0.00     0.01   0.00   0.00
    47   6     0.00  -0.01  -0.00    -0.00  -0.01  -0.00    -0.01  -0.05  -0.01
    48   6    -0.00  -0.00  -0.00     0.02  -0.03  -0.01    -0.01   0.01   0.01
    49   6    -0.00  -0.00   0.00    -0.01  -0.00   0.00     0.01   0.00  -0.00
    50   6    -0.00   0.00   0.00     0.00   0.01   0.00    -0.00  -0.01  -0.00
    51   6     0.01  -0.01  -0.00     0.03  -0.02  -0.01    -0.01   0.01   0.00
    52   6     0.00   0.01   0.00    -0.00  -0.01  -0.00    -0.01  -0.03  -0.01
    53   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.01   0.01   0.00
    54   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.01   0.00   0.00
    55   6     0.00   0.01   0.00    -0.00  -0.01  -0.00    -0.01  -0.03  -0.01
    56   6     0.00   0.00   0.00     0.00   0.00   0.00     0.01   0.01   0.00
    57   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.01   0.00   0.00
    58   6    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.01   0.02   0.00
    59   6    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.02  -0.01  -0.00
    60   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.01  -0.01  -0.00
    61   6     0.00   0.00   0.00     0.01   0.00   0.00     0.02   0.01   0.00
    62   6     0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    63   6    -0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.01   0.00
    64   6    -0.00   0.00   0.00    -0.01   0.01   0.00     0.00  -0.00  -0.00
    65   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    66   6    -0.00   0.00   0.00    -0.01  -0.00   0.00     0.01   0.00  -0.00
    67   6     0.00  -0.01  -0.00    -0.01  -0.01  -0.00     0.00   0.01   0.00
    68   6    -0.00   0.00   0.00     0.01   0.00  -0.00    -0.01  -0.00   0.00
    69   6     0.00   0.00  -0.00     0.00   0.01   0.00    -0.00  -0.01  -0.00
    70   6     0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
    71   6    -0.00   0.00   0.00    -0.01   0.00   0.00     0.00  -0.00  -0.00
    72   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.01   0.00
    73   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    74   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.01   0.01   0.00
    75   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.01  -0.00  -0.00
    76   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.01  -0.01  -0.00
    77   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.01   0.00   0.00
    78   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
    79   6    -0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.01   0.00
    80   1     0.01  -0.14   0.00    -0.00  -0.01  -0.00     0.03   0.06  -0.00
    81   1    -0.05  -0.33   0.01    -0.07  -0.43   0.00     0.05   0.23  -0.01
    82   1    -0.06   0.06  -0.00     0.09   0.19   0.00    -0.05  -0.18   0.00
    83   1     0.12   0.08  -0.01     0.40   0.08  -0.01    -0.14  -0.05   0.00
    84   1     0.27  -0.33   0.01     0.10  -0.11  -0.00     0.30  -0.32   0.00
    85   1    -0.10   0.00  -0.01    -0.11  -0.05  -0.00    -0.06  -0.06   0.00
    86   1     0.05   0.03   0.00    -0.09   0.09   0.00    -0.12   0.06   0.01
    87   1     0.07   0.03  -0.00     0.07  -0.00   0.00     0.02   0.01   0.00
    88   1    -0.02   0.08  -0.00     0.09  -0.10   0.00     0.14  -0.14   0.00
    89   1     0.32   0.06   0.00    -0.04  -0.02  -0.00    -0.14  -0.04   0.00
    90   1    -0.07   0.06  -0.02     0.07  -0.08   0.04     0.18  -0.21   0.11
    91   1    -0.17   0.00   0.03     0.01  -0.01   0.01     0.05  -0.04   0.02
    92   1    -0.14   0.05  -0.02    -0.01  -0.01   0.01     0.04  -0.07   0.04
    93   1    -0.20  -0.05   0.07    -0.10  -0.03   0.04    -0.18  -0.06   0.09
    94   1     0.06   0.19  -0.06    -0.09  -0.35   0.15     0.02   0.08  -0.04
    95   1     0.20   0.12   0.04    -0.08  -0.08   0.00    -0.00   0.02  -0.01
    96   1     0.10   0.11  -0.01    -0.00  -0.04   0.02     0.02   0.06  -0.02
    97   1     0.15   0.04   0.05     0.21   0.05   0.09    -0.01   0.00  -0.01
    98   1     0.09   0.03  -0.03    -0.09  -0.02   0.03     0.02  -0.01   0.01
    99   1     0.00   0.01  -0.01    -0.04   0.01  -0.00     0.07  -0.07   0.04
   100   1    -0.01   0.01  -0.01    -0.05  -0.00   0.01    -0.05  -0.03   0.03
   101   1    -0.09   0.09  -0.05    -0.01   0.00   0.00     0.01  -0.03   0.02
   102   1    -0.01  -0.01  -0.00    -0.02  -0.02  -0.01    -0.06  -0.09  -0.03
   103   1     0.00  -0.00  -0.00     0.01  -0.01  -0.00     0.03  -0.06  -0.01
   104   1     0.01   0.00   0.00     0.04   0.00   0.00     0.14   0.01   0.01
   105   1     0.01   0.02   0.01     0.02   0.04   0.02     0.08   0.14   0.05
   106   1     0.00   0.03   0.01     0.00   0.04   0.01     0.00   0.15   0.05
   107   1    -0.02   0.02   0.00    -0.03   0.02   0.00    -0.10   0.07   0.01
   108   1    -0.01  -0.01  -0.00    -0.01  -0.01  -0.00    -0.05  -0.03  -0.01
   109   1     0.00  -0.02  -0.00     0.00  -0.03  -0.01     0.01  -0.10  -0.03
   110   1     0.01  -0.01  -0.00     0.03  -0.06  -0.02    -0.02   0.04   0.01
   111   1     0.01  -0.00  -0.00     0.03  -0.00  -0.01    -0.02   0.00   0.00
   112   1     0.01   0.03   0.00     0.03   0.07   0.01    -0.02  -0.04  -0.00
   113   1    -0.02   0.03   0.01    -0.05   0.08   0.03     0.03  -0.05  -0.02
   114   1    -0.01   0.01   0.01    -0.09   0.06   0.04     0.05  -0.03  -0.02
   115   1    -0.00  -0.00  -0.00    -0.08  -0.04   0.01     0.05   0.02  -0.01
   116   1     0.00  -0.01  -0.00     0.00  -0.03  -0.01    -0.00   0.02   0.00
   117   1     0.02  -0.01  -0.00     0.06  -0.03  -0.02    -0.04   0.02   0.01
   118   1     0.01   0.02   0.01    -0.01  -0.01  -0.00    -0.03  -0.05  -0.02
   119   1    -0.00   0.01   0.00     0.00  -0.01  -0.00     0.01  -0.03  -0.01
   120   1    -0.03  -0.00  -0.00     0.02   0.00   0.00     0.08   0.00   0.01
   121   1    -0.02  -0.03  -0.01     0.01   0.02   0.01     0.05   0.08   0.03
   122   1    -0.00  -0.04  -0.01     0.00   0.02   0.01     0.01   0.09   0.03
   123   1     0.02  -0.02  -0.00    -0.02   0.01   0.00    -0.06   0.04   0.01
   124   1     0.01   0.01   0.00    -0.01  -0.00  -0.00    -0.03  -0.02  -0.01
   125   1    -0.00   0.02   0.01    -0.00  -0.02  -0.00     0.00  -0.06  -0.02
   126  17    -0.00   0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
                    250                    251                    252
                      A                      A                      A
 Frequencies --   1318.5986              1323.9452              1324.9484
 Red. masses --      3.8124                 1.8131                 1.5736
 Frc consts  --      3.9055                 1.8724                 1.6276
 IR Inten    --      3.4260                26.3950                16.6945
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.04  -0.00     0.04  -0.02  -0.00     0.01  -0.02  -0.00
     2   6    -0.01  -0.01  -0.00     0.00   0.03  -0.00    -0.00   0.00  -0.00
     3   6     0.04  -0.01   0.00    -0.03  -0.03   0.00    -0.01   0.01  -0.00
     4   6    -0.01   0.01  -0.00     0.02  -0.02   0.00    -0.00  -0.01   0.00
     5   6    -0.02  -0.01   0.00     0.00   0.03  -0.00     0.00   0.00   0.00
     6   6     0.02   0.01   0.00    -0.02  -0.01  -0.00    -0.01   0.00  -0.00
     7   6     0.04  -0.02   0.00    -0.04   0.02  -0.00     0.04   0.01   0.00
     8   6     0.00   0.02  -0.00    -0.01   0.03  -0.00     0.00  -0.03   0.00
     9   6    -0.02   0.02  -0.00     0.03  -0.02   0.00    -0.02   0.01  -0.00
    10   6    -0.05   0.01  -0.00     0.01   0.01  -0.00    -0.00   0.01  -0.00
    11   6    -0.03   0.03  -0.00     0.03  -0.02   0.00    -0.02   0.03  -0.00
    12   6    -0.08  -0.02  -0.00     0.04   0.02   0.00    -0.02  -0.05  -0.00
    13   6    -0.02   0.01   0.00    -0.01  -0.01  -0.00     0.02   0.01  -0.00
    14   6     0.02  -0.00   0.00    -0.00  -0.02   0.00    -0.01   0.01   0.00
    15   7     0.07  -0.04   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    16   6    -0.08   0.06  -0.00    -0.01  -0.00   0.00     0.01   0.01  -0.00
    17   6    -0.05   0.08  -0.00    -0.01  -0.01   0.00    -0.00   0.01  -0.00
    18   7     0.04  -0.04   0.00    -0.01   0.01  -0.00     0.01  -0.01   0.00
    19   6    -0.01  -0.05   0.00    -0.00   0.01  -0.00     0.00  -0.00   0.00
    20   6     0.00   0.02  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    21   6    -0.04   0.07   0.01     0.02  -0.01   0.00    -0.01  -0.00   0.00
    22   6     0.04  -0.06  -0.00     0.01   0.00  -0.00    -0.00  -0.00  -0.00
    23   6    -0.03  -0.04   0.01    -0.01  -0.01   0.01     0.02  -0.01   0.01
    24   6     0.05  -0.08   0.05    -0.03   0.02  -0.01    -0.00  -0.03   0.03
    25   6     0.10   0.14  -0.12    -0.02   0.01  -0.00     0.01   0.01  -0.00
    26   6    -0.01   0.02  -0.02    -0.02   0.02  -0.01     0.02  -0.02   0.01
    27   6     0.02   0.03  -0.03     0.01   0.00  -0.00     0.01  -0.01   0.01
    28   6    -0.02  -0.06   0.04    -0.01  -0.05   0.04     0.02   0.08  -0.07
    29   6    -0.04   0.02  -0.01     0.01   0.01  -0.01    -0.01  -0.01   0.01
    30   6     0.05   0.02  -0.02     0.01   0.00  -0.01    -0.03  -0.01   0.01
    31   6    -0.00   0.00  -0.00    -0.01  -0.05   0.02    -0.00  -0.01   0.01
    32   6    -0.01   0.01  -0.01     0.02  -0.01   0.01    -0.00  -0.01   0.01
    33   6     0.01  -0.01   0.01    -0.08   0.07  -0.09    -0.03   0.03  -0.04
    34   6     0.01   0.01   0.00     0.01  -0.02   0.02     0.00   0.00   0.00
    35   6    -0.02  -0.01  -0.01     0.04   0.01   0.02     0.02   0.01   0.01
    36   6    -0.09  -0.04   0.05    -0.02  -0.00   0.01    -0.01  -0.00   0.00
    37   6     0.04  -0.09   0.06     0.01  -0.00   0.00     0.00  -0.01   0.00
    38   6     0.05   0.16  -0.12     0.01   0.02  -0.02     0.01   0.02  -0.01
    39   6    -0.10  -0.03   0.04    -0.00  -0.01   0.01    -0.01  -0.00   0.00
    40   6     0.06  -0.10   0.06     0.00  -0.00   0.00     0.01  -0.01   0.00
    41   7     0.00  -0.00  -0.00    -0.03   0.03   0.02    -0.02   0.02   0.01
    42   7    -0.01  -0.01  -0.01    -0.01  -0.02  -0.01     0.01   0.04   0.02
    43   7     0.01   0.04   0.02     0.00   0.01   0.00     0.00   0.01   0.00
    44   6     0.01   0.02   0.01     0.01   0.03   0.01    -0.01  -0.06  -0.02
    45   6     0.01  -0.00  -0.00     0.01  -0.01  -0.00    -0.02   0.02   0.00
    46   6    -0.01  -0.00  -0.00    -0.01  -0.00  -0.00     0.03   0.00   0.00
    47   6     0.01   0.02   0.01     0.01   0.03   0.01    -0.02  -0.06  -0.02
    48   6    -0.01   0.01   0.00     0.05  -0.04  -0.02     0.02  -0.02  -0.01
    49   6     0.00  -0.00  -0.00    -0.03  -0.01   0.00    -0.01  -0.01   0.00
    50   6    -0.00  -0.00  -0.00     0.01   0.03   0.00     0.01   0.01   0.00
    51   6    -0.00   0.00   0.00     0.04  -0.05  -0.02     0.02  -0.02  -0.01
    52   6    -0.02  -0.06  -0.02    -0.00  -0.01  -0.00    -0.00  -0.01  -0.00
    53   6    -0.01   0.02   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    54   6     0.02   0.00   0.00     0.01   0.00   0.00     0.00   0.00   0.00
    55   6    -0.02  -0.06  -0.02    -0.01  -0.01  -0.00    -0.00  -0.01  -0.00
    56   6    -0.00  -0.01  -0.00    -0.00  -0.01  -0.00     0.01   0.01   0.00
    57   6     0.00  -0.00  -0.00     0.01  -0.00  -0.00    -0.01   0.01   0.00
    58   6     0.00  -0.01  -0.00     0.01  -0.01  -0.00    -0.01   0.02   0.00
    59   6     0.01   0.00   0.00     0.01   0.01   0.00    -0.02  -0.02  -0.01
    60   6    -0.01   0.00   0.00    -0.01   0.01   0.00     0.01  -0.02  -0.01
    61   6    -0.01  -0.00  -0.00    -0.01  -0.01  -0.00     0.02   0.01   0.01
    62   6    -0.00   0.00  -0.00    -0.01  -0.00  -0.00     0.01   0.00   0.00
    63   6    -0.00  -0.01  -0.00    -0.00  -0.01  -0.00     0.00   0.02   0.00
    64   6     0.00  -0.00  -0.00    -0.01   0.01   0.00    -0.00   0.01   0.00
    65   6     0.00   0.00  -0.00    -0.01  -0.01   0.00    -0.01  -0.00   0.00
    66   6     0.00   0.00  -0.00    -0.02   0.00   0.01    -0.01   0.00   0.00
    67   6     0.00   0.00   0.00     0.00  -0.03  -0.01     0.00  -0.01  -0.00
    68   6    -0.00  -0.00   0.00     0.03  -0.00  -0.01     0.02  -0.00  -0.00
    69   6     0.00  -0.00  -0.00    -0.00   0.02   0.00    -0.00   0.01   0.00
    70   6    -0.00  -0.00  -0.00     0.01   0.01   0.00     0.00   0.01   0.00
    71   6     0.00  -0.00  -0.00    -0.01   0.01   0.00    -0.01   0.00   0.00
    72   6     0.01   0.02   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    73   6    -0.01   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    74   6    -0.01   0.02   0.00    -0.00   0.01   0.00    -0.00   0.00   0.00
    75   6    -0.02  -0.01  -0.00    -0.01  -0.00  -0.00    -0.00  -0.00  -0.00
    76   6     0.02  -0.02  -0.00     0.00  -0.01  -0.00     0.00  -0.00  -0.00
    77   6     0.02   0.01   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    78   6     0.01  -0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    79   6     0.00   0.02   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    80   1     0.17  -0.03   0.00    -0.02   0.01  -0.00    -0.00  -0.02   0.00
    81   1    -0.03  -0.11   0.00     0.02   0.09   0.01     0.01   0.05   0.00
    82   1    -0.03  -0.01   0.00    -0.01  -0.03  -0.00     0.01   0.02  -0.00
    83   1    -0.11  -0.02  -0.00    -0.05  -0.01   0.01    -0.02   0.00   0.00
    84   1    -0.07   0.07   0.00     0.04  -0.03  -0.00    -0.09   0.10   0.01
    85   1     0.06   0.03  -0.00     0.00  -0.01  -0.00     0.03   0.02   0.01
    86   1     0.22  -0.19   0.00    -0.03   0.00   0.00     0.02  -0.02  -0.00
    87   1    -0.04  -0.06   0.00    -0.00   0.01  -0.00    -0.03  -0.01   0.00
    88   1     0.31  -0.32   0.01    -0.01   0.02   0.00    -0.02   0.02   0.00
    89   1     0.02  -0.07   0.01    -0.02  -0.00   0.00     0.04   0.01   0.00
    90   1    -0.09   0.11  -0.05     0.16  -0.13   0.06    -0.27   0.22  -0.11
    91   1    -0.06   0.03  -0.01     0.20   0.03  -0.06    -0.32  -0.07   0.10
    92   1    -0.09   0.07  -0.03    -0.09   0.10  -0.05     0.23  -0.22   0.11
    93   1    -0.02   0.01  -0.00    -0.13  -0.01   0.04     0.33   0.05  -0.10
    94   1     0.01   0.03  -0.01     0.13   0.30  -0.11     0.06   0.16  -0.06
    95   1     0.01   0.02  -0.00     0.32   0.10   0.11     0.16   0.05   0.06
    96   1     0.04   0.07  -0.02    -0.08  -0.29   0.11    -0.06  -0.18   0.06
    97   1     0.07   0.03   0.02    -0.27  -0.12  -0.09    -0.18  -0.07  -0.06
    98   1    -0.14  -0.06   0.07     0.09   0.01  -0.03     0.02  -0.00  -0.01
    99   1     0.03  -0.10   0.06     0.07  -0.06   0.03     0.02  -0.03   0.01
   100   1    -0.16  -0.05   0.07    -0.04  -0.02   0.02    -0.04  -0.01   0.01
   101   1    -0.01  -0.04   0.02    -0.03   0.02  -0.01    -0.03   0.02  -0.01
   102   1     0.03   0.04   0.01     0.04   0.06   0.02    -0.08  -0.12  -0.04
   103   1    -0.01   0.03   0.01    -0.02   0.04   0.01     0.05  -0.09  -0.02
   104   1    -0.07  -0.01  -0.01    -0.09  -0.01  -0.01     0.17   0.01   0.02
   105   1    -0.04  -0.07  -0.03    -0.05  -0.09  -0.03     0.10   0.18   0.06
   106   1    -0.00  -0.07  -0.02    -0.00  -0.11  -0.03     0.00   0.20   0.06
   107   1     0.04  -0.03  -0.00     0.08  -0.06  -0.01    -0.14   0.10   0.02
   108   1     0.02   0.01   0.01     0.04   0.03   0.01    -0.08  -0.05  -0.02
   109   1    -0.00   0.05   0.01    -0.00   0.08   0.02     0.01  -0.14  -0.04
   110   1    -0.01   0.01   0.00     0.07  -0.14  -0.04     0.04  -0.07  -0.02
   111   1    -0.01   0.00   0.00     0.10  -0.01  -0.02     0.05  -0.00  -0.01
   112   1    -0.01  -0.01  -0.00     0.08   0.17   0.01     0.04   0.08   0.01
   113   1     0.01  -0.02  -0.01    -0.11   0.19   0.06    -0.06   0.09   0.03
   114   1     0.02  -0.01  -0.01    -0.18   0.11   0.06    -0.09   0.06   0.03
   115   1     0.02   0.01  -0.00    -0.17  -0.08   0.02    -0.09  -0.04   0.01
   116   1    -0.00   0.01   0.00     0.00  -0.10  -0.02     0.00  -0.05  -0.01
   117   1    -0.01   0.01   0.00     0.13  -0.07  -0.04     0.07  -0.04  -0.02
   118   1    -0.08  -0.12  -0.04    -0.02  -0.03  -0.01    -0.01  -0.02  -0.01
   119   1     0.03  -0.07  -0.02     0.01  -0.02  -0.00     0.01  -0.02  -0.00
   120   1     0.18   0.01   0.02     0.04   0.00   0.00     0.03   0.00   0.00
   121   1     0.11   0.18   0.07     0.03   0.04   0.01     0.02   0.03   0.01
   122   1     0.01   0.21   0.07     0.00   0.05   0.01     0.00   0.04   0.01
   123   1    -0.15   0.11   0.01    -0.03   0.02   0.00    -0.03   0.02   0.00
   124   1    -0.07  -0.04  -0.02    -0.02  -0.01  -0.00    -0.01  -0.01  -0.00
   125   1     0.00  -0.15  -0.04     0.00  -0.03  -0.01     0.00  -0.03  -0.01
   126  17    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
                    253                    254                    255
                      A                      A                      A
 Frequencies --   1327.2905              1336.9846              1341.0641
 Red. masses --      1.5053                 2.9943                 2.2205
 Frc consts  --      1.5625                 3.1535                 2.3529
 IR Inten    --      5.8113                22.3064                50.7560
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.01   0.00    -0.12  -0.03  -0.01     0.02   0.01   0.00
     2   6     0.01   0.00  -0.00     0.00  -0.02   0.00    -0.03  -0.06   0.00
     3   6    -0.01   0.01  -0.00     0.04   0.10  -0.00     0.03  -0.01   0.00
     4   6    -0.00  -0.02   0.00    -0.05  -0.00  -0.00    -0.02   0.14  -0.00
     5   6     0.00  -0.01  -0.00     0.02  -0.07   0.00     0.00   0.02   0.00
     6   6    -0.01   0.00  -0.00    -0.01   0.01   0.00     0.07  -0.01  -0.00
     7   6    -0.00   0.00  -0.00     0.08  -0.05   0.00     0.08   0.00  -0.00
     8   6     0.01  -0.02   0.00     0.02  -0.12   0.00    -0.01   0.02  -0.00
     9   6    -0.00   0.02  -0.00    -0.06   0.03  -0.00    -0.04  -0.02   0.00
    10   6     0.02   0.01  -0.00    -0.02   0.04  -0.00    -0.05  -0.10   0.00
    11   6    -0.00   0.00   0.00    -0.04   0.03  -0.00    -0.03   0.01  -0.00
    12   6     0.01  -0.00  -0.00    -0.07  -0.02   0.01    -0.10  -0.02   0.01
    13   6     0.01   0.00  -0.00     0.02   0.02  -0.00    -0.02   0.01  -0.00
    14   6    -0.00   0.00  -0.00    -0.00   0.06  -0.00     0.02   0.00   0.00
    15   7    -0.03   0.01  -0.00     0.01  -0.00   0.00    -0.02   0.03  -0.00
    16   6     0.04  -0.01   0.00     0.02   0.02  -0.00     0.06  -0.00  -0.00
    17   6     0.02  -0.03   0.00     0.02   0.02  -0.00     0.04   0.03  -0.00
    18   7    -0.01   0.01  -0.00     0.03  -0.03   0.00    -0.02  -0.00  -0.00
    19   6     0.01   0.01   0.00     0.01  -0.02   0.00    -0.00  -0.02   0.00
    20   6    -0.00  -0.00   0.00    -0.01  -0.00  -0.00    -0.02  -0.00   0.00
    21   6     0.00  -0.03  -0.00    -0.04   0.01   0.00    -0.03   0.04  -0.01
    22   6    -0.02   0.02  -0.00    -0.01   0.00   0.00     0.00  -0.00   0.00
    23   6     0.00   0.02  -0.01     0.16  -0.04   0.10    -0.03   0.00  -0.02
    24   6    -0.01  -0.00   0.00     0.08   0.08  -0.06     0.08   0.04  -0.04
    25   6    -0.03  -0.06   0.05     0.03  -0.00  -0.00     0.01  -0.07   0.04
    26   6    -0.00   0.00  -0.00     0.03  -0.04   0.02     0.03  -0.03   0.02
    27   6     0.00  -0.00   0.00    -0.06  -0.00   0.01    -0.04   0.01   0.00
    28   6    -0.00  -0.01   0.00     0.00   0.02  -0.01     0.01   0.02  -0.01
    29   6     0.00   0.00  -0.00     0.03  -0.05   0.03     0.01  -0.04   0.03
    30   6    -0.00   0.00  -0.00    -0.01  -0.01   0.01     0.00  -0.01   0.00
    31   6     0.00   0.01  -0.00     0.01   0.07  -0.03     0.00  -0.00   0.00
    32   6     0.00   0.00   0.00    -0.08  -0.04  -0.02     0.01   0.00   0.00
    33   6     0.01  -0.01   0.02     0.03  -0.03   0.02    -0.01   0.00  -0.01
    34   6    -0.01  -0.00  -0.00    -0.00   0.08  -0.05     0.01  -0.01   0.01
    35   6    -0.00  -0.00  -0.00    -0.02   0.01  -0.02    -0.01  -0.01   0.00
    36   6    -0.01   0.00   0.00     0.01  -0.00  -0.00     0.03   0.01  -0.01
    37   6    -0.02   0.01  -0.00    -0.00  -0.01   0.01    -0.03   0.03  -0.01
    38   6     0.02   0.06  -0.05     0.00   0.00  -0.00    -0.01  -0.02   0.01
    39   6     0.03  -0.01  -0.00    -0.01   0.01  -0.00     0.04   0.02  -0.02
    40   6     0.01  -0.00   0.00     0.01  -0.01   0.00    -0.00   0.01  -0.01
    41   7     0.01  -0.01  -0.00    -0.01  -0.00   0.00    -0.02   0.02   0.01
    42   7     0.00  -0.00  -0.00    -0.01  -0.02  -0.01    -0.01   0.00  -0.00
    43   7     0.01   0.05   0.02    -0.00   0.00   0.00     0.00   0.00   0.00
    44   6     0.00   0.00   0.00     0.00   0.01   0.00    -0.00  -0.01  -0.00
    45   6     0.00  -0.00  -0.00     0.01  -0.00  -0.00     0.01   0.01   0.00
    46   6    -0.00   0.00  -0.00    -0.02  -0.00  -0.00    -0.00  -0.01  -0.00
    47   6     0.00   0.00   0.00     0.01   0.02   0.01     0.00   0.01   0.00
    48   6    -0.01   0.01   0.00     0.01  -0.00  -0.00     0.02  -0.01  -0.01
    49   6     0.01   0.00  -0.00    -0.01   0.00   0.00    -0.02  -0.01   0.00
    50   6    -0.00  -0.01  -0.00     0.01   0.01  -0.00     0.01   0.02   0.00
    51   6    -0.01   0.01   0.00    -0.00   0.00   0.00     0.01  -0.02  -0.01
    52   6    -0.01  -0.06  -0.02     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    53   6    -0.02   0.02   0.00     0.00   0.00   0.00    -0.00   0.01   0.00
    54   6     0.03   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    55   6    -0.02  -0.05  -0.02     0.00   0.00   0.00    -0.00   0.00  -0.00
    56   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    57   6     0.00  -0.00  -0.00     0.01  -0.01  -0.00     0.00   0.00   0.00
    58   6     0.00  -0.00  -0.00     0.00  -0.01  -0.00     0.00  -0.00  -0.00
    59   6     0.00   0.00   0.00     0.01   0.01   0.00     0.00   0.01   0.00
    60   6    -0.00   0.00   0.00    -0.00   0.01   0.00    -0.00  -0.00  -0.00
    61   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.01   0.00   0.00
    62   6    -0.00   0.00  -0.00    -0.01  -0.00  -0.00     0.00  -0.00  -0.00
    63   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.01   0.00
    64   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.01   0.00
    65   6     0.00   0.00  -0.00    -0.01   0.00   0.00    -0.01  -0.00   0.00
    66   6     0.01  -0.00  -0.00     0.00   0.00  -0.00    -0.01   0.00   0.00
    67   6    -0.00   0.01   0.00     0.00  -0.00  -0.00     0.01  -0.02  -0.00
    68   6    -0.01   0.00   0.00     0.01  -0.01  -0.00     0.02  -0.01  -0.00
    69   6     0.00  -0.01  -0.00    -0.00   0.00   0.00    -0.00   0.01   0.00
    70   6    -0.00  -0.00  -0.00     0.00   0.01   0.00     0.00   0.01   0.00
    71   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    72   6     0.01   0.01   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    73   6    -0.01   0.01   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    74   6    -0.01   0.02   0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
    75   6    -0.02  -0.02  -0.01     0.00   0.00   0.00    -0.00  -0.00  -0.00
    76   6     0.01  -0.03  -0.01    -0.00  -0.00  -0.00     0.00  -0.01  -0.00
    77   6     0.02   0.01   0.01     0.00   0.00   0.00     0.00   0.00   0.00
    78   6     0.01   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
    79   6     0.00   0.02   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    80   1    -0.10  -0.03   0.00    -0.02  -0.06   0.00     0.13   0.11  -0.00
    81   1    -0.00  -0.04  -0.00    -0.02  -0.10  -0.00     0.04   0.24  -0.00
    82   1     0.02   0.06  -0.00     0.10   0.24  -0.01    -0.10  -0.38   0.01
    83   1     0.09   0.03  -0.00     0.25   0.08  -0.00    -0.43  -0.15   0.01
    84   1     0.00  -0.00  -0.00     0.02  -0.03   0.00    -0.13   0.11   0.01
    85   1    -0.03  -0.01  -0.00    -0.05   0.00  -0.00     0.05   0.03  -0.00
    86   1    -0.07   0.07  -0.00    -0.07   0.14  -0.00     0.28  -0.25   0.00
    87   1     0.01   0.02  -0.00    -0.04  -0.03   0.00     0.00  -0.02  -0.00
    88   1    -0.16   0.17   0.01    -0.02   0.01   0.00     0.01  -0.04   0.00
    89   1     0.08   0.04   0.00     0.04   0.01  -0.00    -0.05  -0.01  -0.00
    90   1     0.01  -0.01   0.00     0.12  -0.10   0.06     0.02  -0.02   0.02
    91   1     0.02   0.00  -0.00     0.13   0.03  -0.04     0.02   0.02  -0.02
    92   1     0.01  -0.00   0.00    -0.21   0.15  -0.07    -0.17   0.11  -0.05
    93   1     0.02   0.01  -0.01    -0.27  -0.05   0.09    -0.20  -0.04   0.06
    94   1    -0.03  -0.08   0.03     0.06   0.18  -0.07    -0.01  -0.05   0.01
    95   1    -0.08  -0.03  -0.02     0.16   0.04   0.06    -0.02  -0.01  -0.01
    96   1     0.01   0.06  -0.02    -0.16  -0.32   0.10     0.04   0.06  -0.02
    97   1     0.05   0.02   0.02    -0.39  -0.13  -0.13     0.10   0.03   0.03
    98   1     0.39   0.05  -0.13    -0.06  -0.01   0.02     0.10   0.02  -0.04
    99   1     0.25  -0.24   0.11    -0.04   0.02  -0.01     0.05  -0.05   0.03
   100   1    -0.34  -0.06   0.11    -0.03   0.00   0.00    -0.16  -0.01   0.04
   101   1    -0.27   0.24  -0.12    -0.02   0.02  -0.01    -0.12   0.12  -0.06
   102   1     0.00   0.01   0.00     0.03   0.05   0.02     0.01   0.02   0.01
   103   1    -0.00   0.00   0.00    -0.03   0.05   0.01    -0.01   0.03   0.01
   104   1    -0.01  -0.00  -0.00    -0.07  -0.01  -0.01    -0.03  -0.00  -0.00
   105   1    -0.00  -0.01  -0.00    -0.04  -0.07  -0.02    -0.01  -0.02  -0.00
   106   1    -0.00  -0.01  -0.00    -0.00  -0.06  -0.02    -0.00   0.03   0.01
   107   1     0.01  -0.01  -0.00     0.04  -0.03  -0.00    -0.03   0.02   0.00
   108   1     0.00   0.00   0.00     0.03   0.02   0.01    -0.02  -0.02  -0.01
   109   1    -0.00   0.01   0.00    -0.00   0.05   0.01    -0.00  -0.03  -0.01
   110   1    -0.02   0.03   0.01     0.00  -0.01  -0.00     0.04  -0.07  -0.02
   111   1    -0.03   0.00   0.01     0.01   0.00  -0.00     0.07  -0.00  -0.01
   112   1    -0.02  -0.04  -0.00     0.00  -0.00   0.00     0.04   0.09   0.01
   113   1     0.03  -0.04  -0.01    -0.01   0.01  -0.00    -0.05   0.09   0.03
   114   1     0.04  -0.03  -0.01    -0.04   0.02   0.01    -0.08   0.05   0.03
   115   1     0.04   0.02  -0.00    -0.04  -0.02   0.01    -0.07  -0.03   0.01
   116   1    -0.00   0.02   0.00     0.00  -0.04  -0.01     0.00  -0.06  -0.01
   117   1    -0.03   0.02   0.01     0.03  -0.02  -0.01     0.06  -0.03  -0.02
   118   1    -0.08  -0.12  -0.04     0.00   0.00   0.00    -0.00  -0.01  -0.00
   119   1     0.05  -0.09  -0.02    -0.00   0.00   0.00     0.00  -0.00  -0.00
   120   1     0.18   0.01   0.02    -0.00  -0.00  -0.00     0.00  -0.00   0.00
   121   1     0.10   0.18   0.06    -0.00  -0.00  -0.00     0.00   0.01   0.00
   122   1     0.01   0.21   0.06    -0.00   0.01   0.00     0.00   0.02   0.00
   123   1    -0.15   0.11   0.02    -0.01   0.01   0.00    -0.02   0.01   0.00
   124   1    -0.09  -0.05  -0.02    -0.01  -0.00  -0.00    -0.02  -0.01  -0.01
   125   1     0.00  -0.15  -0.04    -0.00  -0.01  -0.00     0.00  -0.02  -0.01
   126  17     0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
                    256                    257                    258
                      A                      A                      A
 Frequencies --   1345.5817              1345.6135              1345.6533
 Red. masses --      1.9188                 1.9254                 1.9237
 Frc consts  --      2.0470                 2.0541                 2.0524
 IR Inten    --      2.4022                 2.5608                12.1259
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.00   0.00    -0.00   0.01  -0.00    -0.00  -0.00   0.00
     2   6    -0.00   0.00  -0.00    -0.00  -0.01   0.00    -0.00  -0.00   0.00
     3   6     0.00  -0.00   0.00     0.01  -0.00   0.00     0.00   0.00  -0.00
     4   6     0.00   0.00  -0.00    -0.00   0.01  -0.00    -0.00   0.01  -0.00
     5   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
     6   6     0.00  -0.00   0.00     0.01  -0.00   0.00     0.00  -0.00  -0.00
     7   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.01  -0.00   0.00
     8   6    -0.00   0.01  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
     9   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    10   6    -0.00  -0.00   0.00    -0.01  -0.01   0.00     0.00  -0.01   0.00
    11   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    12   6    -0.00   0.00  -0.00    -0.01   0.00  -0.00    -0.01  -0.00   0.00
    13   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    14   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    15   7     0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    16   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    17   6     0.00   0.00  -0.00     0.01   0.01  -0.00     0.00   0.00  -0.00
    18   7    -0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    19   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    20   6     0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
    21   6    -0.00   0.00  -0.00    -0.01   0.01  -0.00    -0.00   0.00  -0.00
    22   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    23   6    -0.01  -0.00  -0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    24   6     0.00  -0.00   0.00     0.01  -0.00   0.00     0.01   0.00  -0.00
    25   6    -0.00  -0.00   0.00     0.00  -0.01   0.01     0.01  -0.00   0.00
    26   6    -0.00   0.00  -0.00     0.01   0.00  -0.00     0.00  -0.00  -0.00
    27   6     0.00   0.00  -0.00    -0.01   0.00   0.00    -0.01   0.00   0.00
    28   6    -0.00  -0.00   0.00    -0.03   0.01   0.00    -0.01   0.00  -0.00
    29   6    -0.00   0.00  -0.00    -0.01   0.00  -0.00    -0.00  -0.00   0.00
    30   6     0.00   0.00  -0.00     0.00  -0.01   0.00     0.00  -0.00   0.00
    31   6    -0.01  -0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    32   6     0.01   0.01   0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    33   6     0.02   0.02  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    34   6     0.01   0.01  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    35   6    -0.00  -0.01   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    36   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.01   0.00
    37   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.01   0.00  -0.00
    38   6    -0.00  -0.00   0.00     0.01  -0.01   0.00    -0.03   0.01  -0.00
    39   6     0.00   0.00  -0.00     0.01   0.00  -0.00    -0.01   0.00   0.00
    40   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    41   7    -0.02  -0.02   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    42   7     0.00   0.00   0.00     0.03  -0.01   0.00     0.01  -0.00  -0.00
    43   7     0.00  -0.00  -0.00    -0.01   0.00  -0.00     0.03  -0.01   0.00
    44   6     0.00  -0.00  -0.00     0.03   0.05   0.02     0.01   0.02   0.01
    45   6    -0.00  -0.00  -0.00    -0.05  -0.11  -0.03    -0.02  -0.04  -0.01
    46   6     0.00   0.00   0.00     0.02   0.12   0.03     0.01   0.05   0.01
    47   6    -0.00  -0.00  -0.00     0.01  -0.06  -0.01     0.00  -0.02  -0.01
    48   6     0.02  -0.06  -0.02     0.00  -0.00  -0.00     0.00   0.00  -0.00
    49   6    -0.08   0.11   0.03    -0.00  -0.00   0.00     0.00  -0.00  -0.00
    50   6     0.10  -0.08  -0.04     0.00   0.00   0.00    -0.00   0.00   0.00
    51   6    -0.05   0.02   0.02     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    52   6     0.00   0.00   0.00    -0.01  -0.02  -0.01     0.03   0.04   0.01
    53   6    -0.00  -0.00  -0.00     0.02   0.04   0.01    -0.05  -0.11  -0.03
    54   6     0.00   0.00   0.00    -0.01  -0.05  -0.01     0.02   0.12   0.03
    55   6     0.00  -0.00  -0.00    -0.00   0.02   0.01     0.00  -0.06  -0.01
    56   6     0.00   0.00   0.00     0.05   0.08   0.03     0.02   0.03   0.01
    57   6    -0.00   0.00   0.00    -0.04  -0.03  -0.01    -0.01  -0.01  -0.00
    58   6    -0.00   0.00   0.00    -0.05   0.02   0.00    -0.02   0.01   0.00
    59   6    -0.00  -0.00  -0.00     0.00  -0.03  -0.01     0.00  -0.01  -0.00
    60   6     0.00  -0.00  -0.00     0.02   0.02   0.01     0.01   0.01   0.00
    61   6    -0.00   0.00   0.00    -0.05   0.01  -0.00    -0.02   0.00  -0.00
    62   6     0.00   0.00   0.00    -0.02   0.04   0.01    -0.01   0.02   0.00
    63   6     0.00  -0.00  -0.00     0.00  -0.09  -0.02     0.00  -0.04  -0.01
    64   6     0.05  -0.09  -0.03    -0.00   0.00   0.00    -0.00   0.00   0.00
    65   6    -0.01   0.05   0.01    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    66   6     0.04   0.04  -0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    67   6    -0.03   0.01   0.01     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    68   6     0.01  -0.03  -0.01     0.00  -0.00  -0.00     0.00   0.00  -0.00
    69   6     0.04   0.04   0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    70   6     0.05  -0.01  -0.01     0.00   0.00   0.00    -0.00   0.00   0.00
    71   6    -0.09   0.05   0.03    -0.00   0.00   0.00     0.00  -0.00  -0.00
    72   6     0.00   0.00   0.00    -0.02  -0.03  -0.01     0.05   0.08   0.02
    73   6    -0.00  -0.00  -0.00     0.01   0.01   0.00    -0.04  -0.03  -0.01
    74   6    -0.00   0.00   0.00     0.02  -0.01  -0.00    -0.05   0.02   0.00
    75   6     0.00  -0.00  -0.00    -0.00   0.01   0.00     0.00  -0.03  -0.01
    76   6     0.00   0.00   0.00    -0.01  -0.01  -0.00     0.02   0.02   0.01
    77   6    -0.00   0.00  -0.00     0.02  -0.00   0.00    -0.05   0.01  -0.00
    78   6    -0.00   0.00   0.00     0.01  -0.02  -0.00    -0.02   0.05   0.01
    79   6     0.00  -0.00  -0.00    -0.00   0.03   0.01     0.00  -0.09  -0.02
    80   1     0.01   0.00  -0.00     0.01   0.00  -0.00     0.01   0.00  -0.00
    81   1    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.01  -0.00
    82   1    -0.01  -0.02   0.00    -0.00  -0.02   0.00    -0.00  -0.01   0.00
    83   1    -0.02  -0.01  -0.00    -0.02  -0.01   0.00    -0.01  -0.01   0.00
    84   1     0.00  -0.00  -0.00     0.01  -0.01   0.00    -0.01   0.01   0.00
    85   1     0.01   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    86   1     0.01  -0.01   0.00     0.01  -0.01   0.00     0.01  -0.01   0.00
    87   1     0.01   0.00  -0.00     0.01  -0.00  -0.00     0.01   0.00  -0.00
    88   1     0.01  -0.01   0.00     0.02  -0.02   0.00    -0.00   0.00   0.00
    89   1    -0.00  -0.00   0.00    -0.01  -0.01   0.00     0.01   0.00  -0.00
    90   1    -0.00   0.00  -0.00     0.03  -0.01   0.01     0.01  -0.01   0.00
    91   1    -0.00  -0.00   0.00     0.02   0.01  -0.00     0.01   0.00  -0.00
    92   1     0.00  -0.00   0.00     0.01  -0.01   0.00    -0.01   0.00  -0.00
    93   1     0.00   0.00  -0.00     0.02  -0.00  -0.00    -0.00  -0.00   0.00
    94   1    -0.02  -0.03   0.01     0.00   0.00  -0.00    -0.00  -0.00   0.00
    95   1    -0.02  -0.00  -0.01     0.00   0.00   0.00    -0.00  -0.00  -0.00
    96   1     0.00  -0.02   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    97   1    -0.02  -0.02  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    98   1     0.01   0.00  -0.00     0.00   0.00  -0.00     0.03  -0.00  -0.00
    99   1     0.01  -0.00   0.00     0.00  -0.00   0.00     0.01  -0.02   0.00
   100   1    -0.01  -0.00   0.00    -0.03  -0.00   0.01     0.02   0.01  -0.00
   101   1    -0.01   0.01  -0.00    -0.03   0.02  -0.01     0.03  -0.01   0.01
   102   1    -0.00  -0.01  -0.00    -0.21  -0.33  -0.11    -0.08  -0.12  -0.04
   103   1     0.00  -0.01  -0.00     0.12  -0.30  -0.08     0.04  -0.11  -0.03
   104   1     0.01   0.00   0.00     0.26   0.00   0.02     0.10   0.00   0.01
   105   1     0.00   0.01   0.00     0.13   0.18   0.06     0.05   0.06   0.02
   106   1     0.00   0.00   0.00     0.03  -0.22  -0.06     0.01  -0.09  -0.02
   107   1    -0.00   0.00   0.00     0.22  -0.13  -0.02     0.08  -0.05  -0.01
   108   1    -0.00  -0.00  -0.00     0.25   0.20   0.08     0.10   0.08   0.03
   109   1     0.00  -0.00  -0.00    -0.01   0.39   0.10    -0.01   0.15   0.04
   110   1    -0.20   0.37   0.11     0.01  -0.01  -0.00     0.01  -0.01  -0.00
   111   1    -0.34   0.05   0.08     0.01  -0.00  -0.00     0.01  -0.00  -0.00
   112   1    -0.13  -0.24  -0.02     0.01   0.01   0.00     0.01   0.01   0.00
   113   1     0.09  -0.22  -0.06    -0.01   0.01   0.00    -0.01   0.01   0.00
   114   1    -0.22   0.09   0.07    -0.01   0.01   0.00    -0.00   0.00   0.00
   115   1    -0.24  -0.13   0.03    -0.01  -0.00   0.00     0.00   0.00   0.00
   116   1     0.05  -0.35  -0.08     0.00  -0.01  -0.00    -0.00   0.00   0.00
   117   1     0.37  -0.20  -0.11     0.01  -0.00  -0.00    -0.00   0.00   0.00
   118   1    -0.00  -0.01  -0.00     0.08   0.13   0.04    -0.22  -0.33  -0.10
   119   1     0.00  -0.01  -0.00    -0.04   0.12   0.03     0.11  -0.31  -0.07
   120   1     0.00  -0.00   0.00    -0.10   0.00  -0.01     0.26  -0.00   0.02
   121   1     0.00   0.00   0.00    -0.06  -0.07  -0.03     0.14   0.18   0.06
   122   1     0.00  -0.01  -0.00    -0.01   0.08   0.02     0.02  -0.22  -0.06
   123   1     0.01  -0.00  -0.00    -0.08   0.05   0.01     0.21  -0.14  -0.02
   124   1     0.01   0.00   0.00    -0.10  -0.07  -0.03     0.26   0.19   0.08
   125   1     0.00   0.01   0.00     0.00  -0.15  -0.04    -0.00   0.39   0.10
   126  17    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
                    259                    260                    261
                      A                      A                      A
 Frequencies --   1347.4646              1350.7106              1350.9204
 Red. masses --      3.1981                 1.8991                 1.8228
 Frc consts  --      3.4211                 2.0414                 1.9600
 IR Inten    --      1.0746                27.8979                48.4644
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.08  -0.06   0.01     0.00   0.01   0.00    -0.01  -0.00   0.00
     2   6     0.01   0.04  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
     3   6    -0.09  -0.03   0.00     0.00  -0.01  -0.00    -0.01   0.01  -0.00
     4   6     0.01  -0.07   0.00    -0.00  -0.02   0.00    -0.00  -0.01   0.00
     5   6     0.00   0.05  -0.00    -0.01  -0.01  -0.00     0.00  -0.01  -0.00
     6   6    -0.04   0.01  -0.00     0.00   0.01   0.00    -0.00   0.00   0.00
     7   6     0.13   0.05  -0.00    -0.01   0.01   0.00     0.00  -0.01  -0.00
     8   6     0.01  -0.09   0.00     0.00  -0.01   0.00     0.01  -0.00  -0.00
     9   6    -0.07   0.01   0.00     0.00   0.01  -0.00    -0.01   0.01  -0.00
    10   6     0.04   0.03  -0.00     0.01   0.02  -0.00     0.02   0.00  -0.00
    11   6    -0.06   0.04  -0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    12   6    -0.04  -0.10   0.01     0.02   0.01  -0.00    -0.01   0.00   0.00
    13   6     0.05   0.04  -0.00     0.01  -0.00  -0.00    -0.01   0.00   0.00
    14   6    -0.03   0.04  -0.00    -0.01  -0.00   0.00     0.01   0.00  -0.00
    15   7    -0.03   0.02  -0.00    -0.00  -0.00   0.00    -0.01   0.00  -0.00
    16   6     0.06  -0.03   0.00    -0.00  -0.01   0.00     0.01  -0.02   0.00
    17   6    -0.03  -0.04   0.00    -0.01  -0.01   0.00    -0.01  -0.01   0.00
    18   7     0.02   0.02  -0.00     0.01   0.00  -0.00     0.00   0.01  -0.00
    19   6     0.04   0.04  -0.00     0.00   0.01  -0.00     0.01   0.02  -0.00
    20   6     0.01  -0.02  -0.00     0.00  -0.00  -0.00     0.01  -0.01   0.00
    21   6     0.04  -0.09   0.01     0.01  -0.02   0.00     0.01  -0.02   0.00
    22   6    -0.04   0.03  -0.00    -0.01   0.01  -0.00    -0.01   0.01  -0.00
    23   6    -0.06   0.05  -0.05     0.00  -0.01   0.01     0.01  -0.00   0.00
    24   6     0.03   0.07  -0.05    -0.02  -0.00   0.00     0.01  -0.00   0.00
    25   6    -0.01   0.10  -0.06    -0.00   0.02  -0.01    -0.01   0.02  -0.01
    26   6     0.04  -0.04   0.02     0.02  -0.01   0.01    -0.04   0.03  -0.02
    27   6    -0.06  -0.01   0.02    -0.00  -0.01   0.00     0.02   0.01  -0.01
    28   6     0.01   0.05  -0.03     0.01   0.04  -0.02    -0.02  -0.08   0.04
    29   6     0.04  -0.05   0.02     0.00  -0.00  -0.00    -0.01   0.01  -0.00
    30   6    -0.04  -0.01   0.02    -0.03  -0.01   0.01     0.06   0.01  -0.02
    31   6    -0.01  -0.05   0.02     0.02   0.06  -0.02     0.01   0.02  -0.01
    32   6     0.06   0.02   0.02    -0.03  -0.00  -0.01    -0.01  -0.00  -0.00
    33   6    -0.03   0.03  -0.03     0.07  -0.07   0.05     0.02  -0.02   0.02
    34   6    -0.01  -0.06   0.02     0.00   0.03  -0.01     0.00   0.01  -0.00
    35   6     0.04   0.01   0.01    -0.07  -0.02  -0.02    -0.02  -0.01  -0.01
    36   6    -0.03  -0.01   0.01    -0.00  -0.00   0.00     0.03   0.00  -0.01
    37   6     0.05  -0.04   0.02     0.01  -0.01   0.00     0.01   0.00  -0.00
    38   6     0.01   0.01  -0.01    -0.00  -0.00   0.00    -0.01  -0.05   0.03
    39   6    -0.05  -0.02   0.03    -0.01  -0.00   0.00    -0.00  -0.00   0.00
    40   6    -0.00  -0.01   0.01    -0.00   0.00  -0.00    -0.03   0.02  -0.01
    41   7     0.01  -0.01  -0.01    -0.06   0.06   0.02    -0.02   0.02   0.00
    42   7    -0.01  -0.03  -0.01    -0.01  -0.04  -0.01     0.02   0.07   0.01
    43   7     0.01   0.02   0.00     0.00   0.01   0.00     0.02   0.05   0.01
    44   6    -0.00   0.02   0.01    -0.01   0.02   0.01     0.02  -0.04  -0.01
    45   6     0.02  -0.02  -0.00     0.03  -0.01  -0.00    -0.05   0.02   0.00
    46   6    -0.03   0.01   0.00    -0.03   0.00  -0.00     0.06  -0.00   0.00
    47   6     0.02   0.01   0.00     0.02   0.02   0.01    -0.03  -0.03  -0.01
    48   6    -0.01  -0.00   0.00     0.05  -0.01  -0.01     0.02  -0.00  -0.00
    49   6     0.01   0.02  -0.00    -0.06  -0.04   0.01    -0.02  -0.01   0.00
    50   6    -0.01  -0.02  -0.00     0.04   0.06   0.00     0.01   0.02   0.00
    51   6    -0.00   0.01   0.00     0.01  -0.05  -0.01     0.00  -0.02  -0.00
    52   6    -0.00  -0.02  -0.01     0.00  -0.01  -0.00     0.01  -0.03  -0.01
    53   6    -0.01   0.01   0.00    -0.01   0.00   0.00    -0.04   0.02   0.00
    54   6     0.01  -0.01  -0.00     0.01  -0.00   0.00     0.04  -0.01   0.00
    55   6    -0.01  -0.01  -0.00    -0.00  -0.00  -0.00    -0.03  -0.02  -0.01
    56   6     0.00   0.01   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    57   6     0.01  -0.02  -0.00     0.02  -0.02  -0.00    -0.03   0.03   0.01
    58   6    -0.01  -0.01  -0.00    -0.00  -0.01  -0.00     0.01   0.02   0.01
    59   6     0.02   0.02   0.01     0.02   0.02   0.01    -0.03  -0.04  -0.02
    60   6    -0.00   0.02   0.01    -0.00   0.03   0.01     0.01  -0.05  -0.02
    61   6    -0.01  -0.01  -0.00    -0.00  -0.01  -0.00     0.00   0.02   0.01
    62   6    -0.02  -0.00  -0.00    -0.02  -0.01  -0.00     0.04   0.02   0.01
    63   6    -0.00  -0.01  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    64   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    65   6     0.01   0.00  -0.00    -0.05  -0.01   0.01    -0.02  -0.00   0.00
    66   6     0.00  -0.00  -0.00    -0.01   0.02   0.01    -0.00   0.00   0.00
    67   6    -0.01   0.01   0.00     0.03  -0.06  -0.02     0.01  -0.02  -0.01
    68   6    -0.02   0.01   0.00     0.06  -0.03  -0.02     0.02  -0.01  -0.01
    69   6     0.01  -0.00  -0.00    -0.02   0.01   0.01    -0.01   0.00   0.00
    70   6     0.00  -0.01  -0.00     0.01   0.05   0.01     0.00   0.02   0.00
    71   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    72   6    -0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00   0.00   0.00
    73   6    -0.00   0.01   0.00    -0.00   0.00   0.00    -0.02   0.02   0.00
    74   6     0.00   0.01   0.00     0.00   0.00   0.00     0.00   0.01   0.00
    75   6    -0.01  -0.01  -0.00    -0.00  -0.00  -0.00    -0.02  -0.03  -0.01
    76   6     0.00  -0.01  -0.00     0.00  -0.01  -0.00     0.00  -0.04  -0.01
    77   6     0.01   0.00   0.00     0.00   0.00   0.00     0.00   0.01   0.00
    78   6     0.01  -0.00   0.00     0.00   0.00   0.00     0.03   0.01   0.00
    79   6    -0.00   0.01   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    80   1    -0.01   0.00   0.00    -0.03  -0.02  -0.00     0.00   0.00  -0.00
    81   1     0.06   0.21   0.00     0.00  -0.02  -0.00    -0.00  -0.02  -0.00
    82   1    -0.03  -0.08   0.00     0.00   0.05  -0.00     0.01   0.03  -0.00
    83   1    -0.06   0.00   0.00     0.05   0.02  -0.01     0.04   0.02  -0.00
    84   1    -0.16   0.15   0.01     0.04  -0.04   0.00    -0.02   0.02  -0.00
    85   1    -0.04   0.02   0.00    -0.03  -0.01   0.00     0.00   0.01  -0.00
    86   1     0.08  -0.07  -0.00    -0.07   0.06  -0.00     0.01   0.00   0.00
    87   1    -0.22  -0.01   0.00    -0.01   0.01   0.00    -0.04   0.01   0.00
    88   1    -0.28   0.29  -0.01    -0.03   0.03  -0.00    -0.06   0.07  -0.00
    89   1     0.18   0.08   0.00     0.03   0.01  -0.00     0.04   0.02  -0.00
    90   1     0.03  -0.03   0.02    -0.10   0.08  -0.04     0.19  -0.15   0.08
    91   1     0.08   0.02  -0.02    -0.10  -0.02   0.04     0.17   0.03  -0.07
    92   1    -0.09   0.07  -0.03     0.11  -0.08   0.05    -0.15   0.12  -0.08
    93   1    -0.06  -0.02   0.02     0.17   0.03  -0.05    -0.25  -0.04   0.08
    94   1    -0.02  -0.07   0.03    -0.10  -0.25   0.09    -0.03  -0.08   0.03
    95   1    -0.10  -0.03  -0.03    -0.18  -0.07  -0.08    -0.06  -0.03  -0.02
    96   1     0.05   0.12  -0.04     0.08   0.19  -0.09     0.02   0.05  -0.03
    97   1     0.09   0.03   0.03     0.26   0.11   0.09     0.07   0.03   0.02
    98   1    -0.18  -0.03   0.06    -0.05  -0.01   0.02    -0.19  -0.02   0.06
    99   1    -0.13   0.12  -0.06    -0.03   0.03  -0.02    -0.11   0.10  -0.06
   100   1     0.26   0.01  -0.07     0.06   0.00  -0.02     0.19   0.02  -0.07
   101   1     0.21  -0.19   0.10     0.05  -0.04   0.02     0.17  -0.15   0.07
   102   1     0.03   0.04   0.01     0.06   0.09   0.03    -0.10  -0.15  -0.05
   103   1    -0.03   0.05   0.01    -0.05   0.09   0.02     0.09  -0.16  -0.04
   104   1    -0.06  -0.01  -0.01    -0.10  -0.01  -0.01     0.18   0.01   0.02
   105   1    -0.04  -0.08  -0.02    -0.07  -0.11  -0.04     0.12   0.19   0.07
   106   1     0.00  -0.12  -0.03     0.00  -0.12  -0.04    -0.01   0.23   0.07
   107   1     0.09  -0.05  -0.01     0.08  -0.06  -0.01    -0.15   0.10   0.02
   108   1     0.09   0.06   0.03     0.08   0.04   0.02    -0.15  -0.09  -0.04
   109   1    -0.00   0.12   0.03    -0.00   0.09   0.02     0.00  -0.17  -0.05
   110   1    -0.03   0.07   0.02     0.10  -0.18  -0.05     0.03  -0.06  -0.02
   111   1    -0.07   0.00   0.02     0.21  -0.01  -0.05     0.07  -0.00  -0.01
   112   1    -0.03  -0.06  -0.00     0.10   0.20   0.02     0.03   0.06   0.00
   113   1     0.03  -0.07  -0.02    -0.13   0.24   0.08    -0.04   0.07   0.02
   114   1     0.05  -0.03  -0.01    -0.24   0.13   0.08    -0.07   0.04   0.02
   115   1     0.04   0.02  -0.01    -0.20  -0.10   0.02    -0.06  -0.03   0.01
   116   1     0.00   0.04   0.01     0.01  -0.21  -0.04     0.00  -0.06  -0.01
   117   1    -0.03   0.02   0.01     0.19  -0.10  -0.06     0.05  -0.03  -0.02
   118   1    -0.01  -0.02  -0.01    -0.01  -0.01  -0.00    -0.06  -0.10  -0.03
   119   1     0.02  -0.02  -0.00     0.01  -0.02  -0.00     0.05  -0.10  -0.02
   120   1     0.05   0.00   0.01     0.02   0.00   0.00     0.13   0.00   0.01
   121   1     0.03   0.06   0.02     0.01   0.02   0.01     0.09   0.13   0.05
   122   1    -0.00   0.09   0.03     0.00   0.03   0.01     0.00   0.16   0.05
   123   1    -0.06   0.05   0.01    -0.02   0.01   0.00    -0.11   0.08   0.01
   124   1    -0.06  -0.03  -0.01    -0.02  -0.01  -0.00    -0.11  -0.06  -0.03
   125   1    -0.00  -0.08  -0.02    -0.00  -0.02  -0.01    -0.00  -0.13  -0.03
   126  17    -0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
                    262                    263                    264
                      A                      A                      A
 Frequencies --   1351.6954              1363.7472              1374.8044
 Red. masses --      2.0429                 4.3357                 4.7160
 Frc consts  --      2.1991                 4.7509                 5.2517
 IR Inten    --      6.6454               155.3484               237.4312
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.02   0.00     0.08  -0.05   0.01    -0.01   0.18  -0.01
     2   6     0.01   0.01  -0.00    -0.00   0.06  -0.00     0.00  -0.13   0.00
     3   6    -0.02   0.00  -0.00    -0.02  -0.05   0.00     0.15  -0.14   0.00
     4   6     0.00  -0.03   0.00     0.04  -0.12   0.00    -0.18   0.04  -0.00
     5   6    -0.00   0.01  -0.00    -0.01   0.04  -0.00    -0.08  -0.11   0.00
     6   6    -0.01   0.01  -0.00    -0.07   0.01  -0.00     0.14   0.05   0.00
     7   6     0.03   0.01  -0.00     0.08   0.12  -0.00     0.04   0.15  -0.00
     8   6     0.00  -0.03   0.00    -0.10  -0.12   0.00    -0.04  -0.03   0.00
     9   6    -0.02   0.01  -0.00     0.05  -0.07   0.00    -0.02  -0.13   0.00
    10   6     0.02   0.02  -0.00    -0.06   0.15  -0.00    -0.04   0.15  -0.00
    11   6    -0.01   0.01  -0.00    -0.05   0.08  -0.00    -0.06   0.02   0.00
    12   6    -0.01  -0.02   0.00     0.04  -0.14   0.01     0.08   0.01  -0.00
    13   6     0.01   0.01  -0.00     0.11   0.02  -0.00     0.07   0.00  -0.00
    14   6    -0.00   0.01  -0.00    -0.09   0.06  -0.00    -0.05  -0.02   0.00
    15   7    -0.01   0.01  -0.00     0.10  -0.03   0.00    -0.01   0.06  -0.00
    16   6     0.02  -0.01   0.00    -0.07   0.14  -0.00     0.07   0.02  -0.00
    17   6    -0.01  -0.01   0.00     0.02   0.03  -0.00     0.06  -0.12   0.00
    18   7     0.01   0.01  -0.00    -0.00  -0.07   0.00     0.10   0.01  -0.00
    19   6     0.02   0.01  -0.00    -0.04  -0.10   0.00     0.06  -0.00   0.00
    20   6    -0.00  -0.00  -0.00    -0.01   0.01   0.00    -0.02  -0.02  -0.00
    21   6     0.01  -0.03   0.00    -0.04   0.14  -0.01    -0.06  -0.03   0.00
    22   6    -0.01   0.01  -0.00     0.06  -0.05   0.00    -0.05   0.07  -0.00
    23   6    -0.01   0.01  -0.01    -0.04   0.02  -0.02    -0.04  -0.06   0.01
    24   6     0.00   0.01  -0.01    -0.04   0.05  -0.02    -0.05  -0.02   0.01
    25   6    -0.00   0.03  -0.02     0.02  -0.09   0.05     0.03   0.02  -0.01
    26   6    -0.02   0.02  -0.01    -0.00   0.01  -0.01    -0.02   0.02  -0.01
    27   6    -0.00   0.00   0.00    -0.03  -0.01   0.02     0.03  -0.00  -0.00
    28   6    -0.01  -0.04   0.02     0.00  -0.01   0.01    -0.00  -0.02   0.02
    29   6     0.00   0.00   0.00     0.04  -0.01   0.00    -0.01   0.03  -0.02
    30   6     0.03   0.00  -0.01    -0.03  -0.00   0.00     0.00  -0.00   0.00
    31   6     0.00   0.01  -0.01    -0.01  -0.01   0.00     0.00  -0.02   0.01
    32   6     0.00   0.00   0.00     0.03   0.02   0.01    -0.04  -0.00  -0.02
    33   6     0.02  -0.02   0.01     0.00  -0.00   0.00    -0.01   0.00  -0.01
    34   6    -0.00  -0.00   0.00    -0.01  -0.03   0.01     0.04   0.02   0.01
    35   6    -0.01  -0.01  -0.00     0.01   0.00  -0.00    -0.04  -0.02  -0.01
    36   6    -0.07  -0.01   0.02     0.05   0.01  -0.02    -0.00   0.01  -0.00
    37   6     0.02  -0.03   0.01    -0.06   0.04  -0.02     0.02  -0.03   0.02
    38   6     0.03   0.10  -0.06    -0.01  -0.05   0.03     0.03   0.00  -0.01
    39   6    -0.04  -0.02   0.01     0.07   0.03  -0.03    -0.02   0.00   0.00
    40   6     0.05  -0.05   0.03    -0.02   0.02  -0.01     0.02  -0.02   0.01
    41   7    -0.02   0.02   0.00    -0.01   0.01  -0.00     0.02   0.01   0.00
    42   7     0.01   0.04   0.01     0.01   0.01   0.00     0.00  -0.00  -0.00
    43   7    -0.03  -0.08  -0.01    -0.01   0.01   0.00    -0.04   0.02  -0.00
    44   6     0.01  -0.02  -0.01     0.00  -0.00  -0.00     0.00   0.01   0.00
    45   6    -0.03   0.01   0.00    -0.01   0.01   0.00    -0.01   0.00   0.00
    46   6     0.03  -0.00   0.00     0.01  -0.00   0.00     0.01  -0.00   0.00
    47   6    -0.02  -0.02  -0.01    -0.01  -0.00  -0.00    -0.00   0.01   0.00
    48   6     0.02  -0.00  -0.00     0.01   0.00  -0.00    -0.01  -0.01   0.00
    49   6    -0.02  -0.01   0.00    -0.01  -0.01   0.00     0.00   0.01   0.00
    50   6     0.01   0.02   0.00     0.01   0.01   0.00    -0.01  -0.02  -0.00
    51   6     0.00  -0.02  -0.00    -0.00  -0.01  -0.00     0.01  -0.01  -0.00
    52   6    -0.02   0.04   0.01     0.01  -0.00  -0.00    -0.00  -0.03  -0.01
    53   6     0.06  -0.03  -0.00    -0.01  -0.00  -0.00     0.02  -0.02  -0.00
    54   6    -0.07   0.01  -0.00     0.02   0.00   0.00     0.02   0.01   0.00
    55   6     0.04   0.03   0.01     0.00   0.01   0.00     0.01   0.02   0.01
    56   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.01  -0.00
    57   6    -0.02   0.02   0.00    -0.01   0.01   0.00    -0.01   0.01   0.00
    58   6     0.00   0.01   0.00     0.01   0.00   0.00     0.01  -0.00   0.00
    59   6    -0.02  -0.02  -0.01    -0.01  -0.01  -0.00    -0.01  -0.01  -0.00
    60   6     0.00  -0.03  -0.01    -0.00  -0.01  -0.00    -0.00  -0.00  -0.00
    61   6     0.00   0.01   0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
    62   6     0.02   0.01   0.00     0.01   0.00   0.00     0.01   0.00   0.00
    63   6    -0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    64   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
    65   6    -0.01  -0.00   0.00    -0.01  -0.00   0.00     0.02   0.01  -0.00
    66   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.01  -0.00   0.00
    67   6     0.01  -0.02  -0.00     0.00  -0.01  -0.00    -0.00   0.01   0.00
    68   6     0.02  -0.01  -0.01     0.01  -0.00  -0.00    -0.02   0.01   0.01
    69   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.01   0.00  -0.00
    70   6     0.00   0.01   0.00     0.00   0.01   0.00     0.00  -0.01  -0.00
    71   6    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.01   0.01   0.00
    72   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    73   6     0.03  -0.04  -0.01    -0.01   0.01   0.00    -0.01   0.01   0.00
    74   6    -0.01  -0.02  -0.01     0.01  -0.00  -0.00     0.01  -0.01  -0.00
    75   6     0.04   0.05   0.02    -0.00  -0.01  -0.00     0.00  -0.00   0.00
    76   6    -0.00   0.06   0.02     0.00  -0.01  -0.00     0.00  -0.00   0.00
    77   6    -0.00  -0.02  -0.01    -0.00   0.00   0.00     0.01   0.00   0.00
    78   6    -0.05  -0.02  -0.01     0.01   0.00   0.00    -0.02   0.00  -0.00
    79   6    -0.00  -0.00  -0.00    -0.00  -0.01  -0.00    -0.00  -0.00  -0.00
    80   1    -0.04  -0.02   0.00    -0.06  -0.08   0.00    -0.24   0.03   0.00
    81   1     0.01   0.02  -0.00    -0.02  -0.03   0.00     0.09   0.20  -0.00
    82   1     0.00   0.02  -0.00     0.01   0.14  -0.00    -0.08  -0.05   0.00
    83   1     0.03   0.02  -0.00     0.07   0.05  -0.00    -0.13  -0.02  -0.00
    84   1    -0.04   0.03  -0.00     0.02   0.02  -0.00     0.15  -0.20   0.00
    85   1    -0.02   0.00  -0.00    -0.01  -0.01   0.00    -0.29  -0.09  -0.00
    86   1     0.01   0.00  -0.00    -0.05   0.02  -0.00    -0.17   0.08  -0.00
    87   1    -0.05  -0.00  -0.00     0.04  -0.09   0.00    -0.23  -0.07   0.00
    88   1    -0.10   0.10   0.00     0.35  -0.39   0.01    -0.20   0.17  -0.00
    89   1     0.07   0.03   0.00    -0.32  -0.13  -0.00    -0.13   0.06  -0.01
    90   1     0.13  -0.10   0.06     0.13  -0.11   0.05     0.04  -0.03   0.01
    91   1     0.13   0.02  -0.05     0.22   0.03  -0.06     0.02  -0.01   0.00
    92   1    -0.11   0.09  -0.06    -0.06   0.07  -0.05     0.09  -0.05   0.02
    93   1    -0.17  -0.02   0.05    -0.04   0.00   0.02     0.07   0.01  -0.02
    94   1    -0.04  -0.10   0.04    -0.04  -0.08   0.03     0.07   0.15  -0.05
    95   1    -0.09  -0.03  -0.03    -0.12  -0.04  -0.05     0.23   0.10   0.07
    96   1     0.03   0.09  -0.04     0.06   0.15  -0.06     0.02  -0.04   0.03
    97   1     0.10   0.04   0.03     0.11   0.05   0.04     0.06   0.01   0.01
    98   1     0.26   0.02  -0.08    -0.01   0.00   0.00    -0.11  -0.01   0.02
    99   1     0.13  -0.11   0.08     0.06  -0.06   0.03    -0.10   0.08  -0.03
   100   1    -0.16  -0.02   0.07    -0.19  -0.01   0.04     0.00   0.01  -0.01
   101   1    -0.18   0.15  -0.07    -0.11   0.10  -0.05    -0.03   0.03  -0.00
   102   1    -0.05  -0.09  -0.03    -0.01  -0.02  -0.01    -0.00  -0.00  -0.00
   103   1     0.05  -0.09  -0.02     0.02  -0.03  -0.01     0.01  -0.02  -0.00
   104   1     0.10   0.01   0.01     0.03   0.00   0.00    -0.01  -0.00   0.00
   105   1     0.07   0.11   0.04     0.02   0.04   0.01     0.01   0.01   0.00
   106   1    -0.00   0.13   0.04    -0.00   0.03   0.01    -0.00   0.00   0.00
   107   1    -0.09   0.06   0.01    -0.02   0.01   0.00     0.00  -0.00  -0.00
   108   1    -0.08  -0.05  -0.02    -0.03  -0.02  -0.01    -0.01  -0.01  -0.00
   109   1     0.00  -0.10  -0.03     0.00  -0.04  -0.01     0.00  -0.02  -0.01
   110   1     0.03  -0.05  -0.02     0.01  -0.02  -0.01    -0.03   0.06   0.02
   111   1     0.06  -0.00  -0.01     0.03  -0.00  -0.01    -0.06   0.01   0.01
   112   1     0.03   0.06   0.00     0.01   0.02   0.00    -0.00   0.01   0.00
   113   1    -0.04   0.07   0.02    -0.01   0.03   0.01    -0.00  -0.00  -0.00
   114   1    -0.07   0.04   0.02    -0.03   0.01   0.01     0.04  -0.02  -0.01
   115   1    -0.06  -0.03   0.01    -0.02  -0.01   0.00     0.03   0.01  -0.00
   116   1     0.00  -0.06  -0.01     0.00  -0.03  -0.01     0.00   0.02   0.00
   117   1     0.05  -0.03  -0.02     0.02  -0.01  -0.01     0.01  -0.00  -0.00
   118   1     0.11   0.16   0.05    -0.03  -0.03  -0.01    -0.04  -0.05  -0.02
   119   1    -0.09   0.18   0.04     0.02  -0.04  -0.01     0.02  -0.06  -0.01
   120   1    -0.20  -0.01  -0.02    -0.00  -0.00  -0.00    -0.04  -0.01  -0.01
   121   1    -0.14  -0.21  -0.07     0.01   0.01   0.00    -0.01  -0.03  -0.01
   122   1    -0.00  -0.25  -0.07     0.00   0.02   0.00     0.00   0.04   0.01
   123   1     0.16  -0.12  -0.02    -0.01   0.01   0.00    -0.04   0.04   0.01
   124   1     0.18   0.10   0.04    -0.01  -0.00  -0.00     0.05   0.04   0.01
   125   1     0.00   0.20   0.05    -0.00   0.00  -0.00    -0.01   0.06   0.02
   126  17     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
                    265                    266                    267
                      A                      A                      A
 Frequencies --   1381.8621              1383.5106              1383.9636
 Red. masses --      2.8926                 3.6669                 3.7836
 Frc consts  --      3.2543                 4.1354                 4.2698
 IR Inten    --    863.5135               131.9325                76.8942
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.02  -0.00     0.01  -0.01   0.00    -0.00  -0.03   0.00
     2   6     0.02  -0.00  -0.00    -0.00   0.01  -0.00    -0.00   0.02   0.00
     3   6    -0.00   0.02  -0.00    -0.01   0.01  -0.00    -0.02   0.02  -0.00
     4   6    -0.04  -0.03   0.00     0.01  -0.00   0.00     0.04   0.01   0.00
     5   6     0.00  -0.03   0.00     0.00   0.01  -0.00     0.01   0.02  -0.00
     6   6    -0.02   0.01   0.00    -0.00  -0.00   0.00    -0.02  -0.01  -0.00
     7   6     0.01  -0.02   0.00    -0.01  -0.01   0.00    -0.01  -0.02   0.00
     8   6    -0.09   0.09  -0.00     0.01   0.01  -0.00     0.03  -0.01   0.00
     9   6     0.11  -0.06   0.00    -0.01  -0.00   0.00    -0.03   0.03  -0.00
    10   6     0.06   0.06  -0.00    -0.00  -0.01   0.00    -0.02  -0.04   0.00
    11   6     0.04  -0.01   0.00     0.01  -0.01  -0.00     0.00  -0.00  -0.00
    12   6    -0.05  -0.02   0.00    -0.01   0.01  -0.00    -0.00   0.01  -0.00
    13   6    -0.06  -0.02  -0.00    -0.01  -0.00   0.00    -0.00   0.00   0.00
    14   6     0.03   0.00   0.00     0.01  -0.00   0.00     0.01  -0.00  -0.00
    15   7    -0.01   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    16   6    -0.01   0.04  -0.00    -0.00   0.00  -0.00    -0.00  -0.01   0.00
    17   6    -0.01  -0.10   0.00     0.00   0.00  -0.00    -0.00   0.03  -0.00
    18   7    -0.01   0.04  -0.00    -0.00  -0.00   0.00    -0.01  -0.01   0.00
    19   6    -0.03   0.01  -0.00     0.00  -0.00   0.00     0.01  -0.00   0.00
    20   6     0.03  -0.02   0.00     0.00  -0.00   0.00    -0.01   0.01   0.00
    21   6     0.04   0.02  -0.00     0.00  -0.00   0.00    -0.00  -0.01   0.00
    22   6    -0.03   0.00  -0.00     0.00   0.00  -0.00     0.01  -0.00  -0.00
    23   6     0.00  -0.01   0.00    -0.01  -0.01  -0.00     0.02   0.02  -0.00
    24   6     0.02   0.01  -0.01     0.01  -0.00  -0.00     0.00  -0.00   0.00
    25   6    -0.02   0.01  -0.00    -0.01   0.00  -0.00    -0.01   0.00   0.00
    26   6     0.00  -0.02   0.02     0.01   0.00  -0.00     0.00   0.00  -0.00
    27   6     0.00   0.00  -0.00    -0.01  -0.00   0.00    -0.00   0.00  -0.00
    28   6     0.06  -0.00  -0.01    -0.03   0.01  -0.00    -0.01   0.00   0.00
    29   6     0.02  -0.03   0.02    -0.01   0.01  -0.00    -0.00   0.00  -0.00
    30   6     0.00   0.01  -0.01     0.00  -0.01   0.01     0.00  -0.00   0.00
    31   6     0.00   0.00  -0.00    -0.01   0.00  -0.01     0.01  -0.00   0.01
    32   6    -0.01  -0.00  -0.00     0.02   0.01   0.01    -0.01  -0.01  -0.00
    33   6     0.01   0.00   0.00     0.05   0.05  -0.00    -0.04  -0.04   0.00
    34   6     0.00   0.01  -0.00     0.01   0.02  -0.00    -0.01  -0.02   0.00
    35   6    -0.00  -0.00   0.00     0.01  -0.01   0.01     0.00   0.01  -0.01
    36   6    -0.01   0.00  -0.00    -0.00   0.01  -0.01    -0.00   0.01  -0.01
    37   6     0.01   0.00  -0.00     0.02  -0.01   0.00     0.02  -0.01   0.00
    38   6     0.03  -0.01  -0.00     0.05  -0.02   0.00     0.06  -0.02   0.00
    39   6     0.02  -0.00   0.00     0.02   0.00  -0.00     0.02   0.00  -0.01
    40   6    -0.01   0.00   0.00    -0.01  -0.01   0.01    -0.01  -0.01   0.01
    41   7    -0.01  -0.01   0.00    -0.08  -0.08   0.00     0.06   0.06  -0.00
    42   7    -0.10   0.03   0.00     0.05  -0.02   0.00     0.01  -0.00   0.00
    43   7    -0.04   0.01   0.00    -0.08   0.02  -0.00    -0.10   0.03  -0.00
    44   6    -0.06  -0.09  -0.03     0.04   0.05   0.02     0.01   0.02   0.01
    45   6     0.07  -0.09  -0.02    -0.04   0.06   0.01    -0.01   0.02   0.00
    46   6     0.07   0.05   0.02    -0.06  -0.03  -0.01    -0.02  -0.01  -0.00
    47   6     0.00   0.07   0.02     0.01  -0.06  -0.02     0.00  -0.02  -0.00
    48   6     0.01  -0.01  -0.00     0.05  -0.11  -0.03    -0.04   0.11   0.03
    49   6     0.01  -0.00  -0.00     0.13   0.00  -0.03    -0.12  -0.00   0.02
    50   6     0.00   0.02   0.00     0.01   0.13   0.02    -0.00  -0.12  -0.02
    51   6    -0.02   0.01   0.00    -0.11   0.05   0.03     0.10  -0.04  -0.03
    52   6    -0.03  -0.04  -0.01    -0.05  -0.08  -0.03    -0.07  -0.10  -0.03
    53   6     0.03  -0.04  -0.01     0.05  -0.09  -0.02     0.06  -0.12  -0.02
    54   6     0.04   0.02   0.01     0.10   0.05   0.02     0.13   0.06   0.03
    55   6    -0.00   0.04   0.01    -0.01   0.10   0.03    -0.01   0.13   0.03
    56   6    -0.01  -0.00  -0.00     0.01   0.01   0.00     0.00   0.00   0.00
    57   6    -0.05   0.02   0.00     0.04  -0.03  -0.00     0.01  -0.01  -0.00
    58   6     0.04  -0.03  -0.01    -0.04   0.02   0.00    -0.01   0.01   0.00
    59   6     0.00  -0.01  -0.00     0.00   0.02   0.01     0.00   0.00   0.00
    60   6     0.01   0.03   0.01    -0.00  -0.02  -0.01    -0.00  -0.01  -0.00
    61   6     0.08  -0.01   0.01    -0.05   0.00  -0.00    -0.01   0.00  -0.00
    62   6    -0.08  -0.01  -0.01     0.05   0.01   0.01     0.01   0.00   0.00
    63   6    -0.01   0.03   0.01     0.00  -0.02  -0.00     0.00  -0.01  -0.00
    64   6     0.00  -0.01  -0.00     0.01  -0.03  -0.01    -0.01   0.02   0.01
    65   6    -0.01  -0.00   0.00    -0.09  -0.04   0.01     0.08   0.04  -0.01
    66   6     0.01   0.01  -0.00     0.07   0.05  -0.01    -0.07  -0.05   0.01
    67   6     0.00  -0.01  -0.00     0.02  -0.02  -0.01    -0.02   0.02   0.01
    68   6    -0.00   0.00   0.00    -0.02   0.02   0.01     0.03  -0.02  -0.01
    69   6     0.00   0.01   0.00     0.05   0.07   0.00    -0.05  -0.07  -0.00
    70   6    -0.00  -0.01  -0.00    -0.04  -0.08  -0.01     0.04   0.08   0.01
    71   6    -0.00   0.00   0.00    -0.03   0.01   0.01     0.03  -0.01  -0.01
    72   6    -0.01  -0.01  -0.00    -0.02  -0.02  -0.01    -0.02  -0.03  -0.01
    73   6    -0.03   0.02   0.00    -0.06   0.05   0.01    -0.08   0.06   0.01
    74   6     0.03  -0.01  -0.00     0.07  -0.03  -0.00     0.09  -0.04  -0.00
    75   6    -0.00  -0.01  -0.00    -0.01  -0.03  -0.01    -0.01  -0.04  -0.01
    76   6     0.00   0.01   0.00     0.01   0.02   0.01     0.01   0.03   0.01
    77   6     0.03  -0.00   0.00     0.07  -0.01   0.00     0.09  -0.01   0.01
    78   6    -0.04  -0.00  -0.00    -0.07  -0.00  -0.01    -0.09  -0.00  -0.01
    79   6    -0.00   0.01   0.00    -0.00   0.02   0.00    -0.00   0.03   0.01
    80   1    -0.19  -0.05   0.01     0.01   0.00   0.00     0.06   0.01  -0.00
    81   1    -0.02  -0.15   0.01    -0.01  -0.01   0.00    -0.01   0.00  -0.00
    82   1     0.04   0.09  -0.00    -0.00  -0.02   0.00     0.01  -0.00  -0.00
    83   1     0.17   0.06  -0.00    -0.01  -0.00  -0.00    -0.01  -0.01   0.00
    84   1    -0.23   0.27  -0.01    -0.02   0.01   0.00     0.03  -0.03   0.00
    85   1     0.28   0.07   0.01     0.01   0.01  -0.00    -0.03  -0.00  -0.00
    86   1     0.31  -0.27   0.00     0.02  -0.01   0.00    -0.04   0.05  -0.00
    87   1    -0.00   0.02   0.00    -0.02  -0.01   0.00    -0.00  -0.00  -0.00
    88   1    -0.02   0.03  -0.00    -0.00   0.00  -0.00     0.01  -0.01  -0.00
    89   1    -0.08  -0.01   0.00    -0.00   0.00   0.00     0.02  -0.00   0.00
    90   1    -0.10   0.06  -0.03     0.03  -0.01   0.01     0.01  -0.01   0.00
    91   1    -0.07  -0.01   0.02     0.02   0.01  -0.01     0.00   0.00  -0.00
    92   1    -0.09   0.07  -0.03     0.02  -0.02   0.01     0.01  -0.01   0.00
    93   1    -0.13  -0.01   0.03     0.04  -0.00  -0.01     0.01  -0.00  -0.00
    94   1    -0.01  -0.01   0.01    -0.05  -0.07   0.02     0.03   0.04  -0.01
    95   1     0.01   0.01   0.00    -0.07  -0.02  -0.02     0.02  -0.00   0.01
    96   1    -0.01  -0.02   0.01    -0.01  -0.05   0.02     0.01   0.05  -0.02
    97   1    -0.01  -0.01  -0.00    -0.07  -0.05  -0.02     0.04   0.04   0.01
    98   1    -0.01   0.01   0.00    -0.07   0.01   0.01    -0.08   0.01   0.02
    99   1     0.02  -0.01   0.00    -0.03   0.04  -0.02    -0.04   0.05  -0.02
   100   1    -0.01  -0.01   0.01    -0.04  -0.01   0.01    -0.06  -0.01   0.02
   101   1    -0.01  -0.00   0.00    -0.06   0.03  -0.02    -0.08   0.04  -0.02
   102   1    -0.08  -0.12  -0.04     0.05   0.08   0.03     0.01   0.02   0.01
   103   1     0.06  -0.17  -0.04    -0.05   0.13   0.03    -0.01   0.03   0.01
   104   1    -0.16  -0.02  -0.02     0.12   0.02   0.01     0.03   0.00   0.00
   105   1    -0.05  -0.10  -0.03     0.03   0.07   0.02     0.01   0.02   0.01
   106   1     0.01   0.11   0.03    -0.00  -0.07  -0.02    -0.00  -0.02  -0.01
   107   1    -0.16   0.13   0.02     0.10  -0.08  -0.01     0.03  -0.02  -0.00
   108   1     0.18   0.15   0.06    -0.11  -0.09  -0.03    -0.03  -0.03  -0.01
   109   1    -0.01   0.17   0.05     0.01  -0.09  -0.03     0.00  -0.02  -0.01
   110   1     0.01  -0.02  -0.01     0.08  -0.16  -0.05    -0.07   0.13   0.04
   111   1     0.04  -0.01  -0.01     0.27  -0.05  -0.06    -0.23   0.04   0.06
   112   1    -0.01  -0.03  -0.00    -0.09  -0.22  -0.02     0.08   0.20   0.02
   113   1     0.01  -0.01  -0.00     0.08  -0.12  -0.04    -0.07   0.11   0.03
   114   1    -0.01   0.01   0.00    -0.12   0.08   0.04     0.10  -0.07  -0.03
   115   1    -0.02  -0.01   0.00    -0.22  -0.09   0.03     0.20   0.08  -0.03
   116   1    -0.00   0.03   0.01    -0.04   0.26   0.06     0.04  -0.25  -0.05
   117   1    -0.02   0.01   0.01    -0.15   0.08   0.05     0.14  -0.07  -0.04
   118   1    -0.04  -0.05  -0.02    -0.08  -0.11  -0.04    -0.10  -0.14  -0.05
   119   1     0.03  -0.09  -0.02     0.07  -0.21  -0.05     0.09  -0.27  -0.06
   120   1    -0.08  -0.01  -0.01    -0.19  -0.02  -0.02    -0.25  -0.03  -0.03
   121   1    -0.02  -0.04  -0.01    -0.05  -0.10  -0.03    -0.07  -0.13  -0.04
   122   1     0.00   0.05   0.01     0.01   0.11   0.03     0.01   0.15   0.04
   123   1    -0.06   0.05   0.01    -0.14   0.12   0.02    -0.18   0.15   0.02
   124   1     0.08   0.06   0.02     0.16   0.13   0.05     0.21   0.16   0.06
   125   1    -0.00   0.07   0.02    -0.00   0.14   0.04    -0.01   0.17   0.05
   126  17     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
                    268                    269                    270
                      A                      A                      A
 Frequencies --   1385.0319              1389.9398              1390.0993
 Red. masses --      3.0715                 6.3412                 6.2258
 Frc consts  --      3.4715                 7.2179                 7.0882
 IR Inten    --      7.4053                 1.6539                 7.4271
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.04   0.00     0.00  -0.00  -0.00    -0.01   0.01  -0.00
     2   6    -0.02   0.02   0.00     0.00   0.00  -0.00     0.00  -0.01   0.00
     3   6    -0.01  -0.01  -0.00    -0.00  -0.00   0.00     0.00   0.01  -0.00
     4   6     0.05   0.03  -0.00     0.00  -0.00   0.00    -0.02   0.00  -0.00
     5   6     0.00   0.04  -0.00    -0.00   0.00  -0.00     0.00  -0.01   0.00
     6   6     0.00  -0.02  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
     7   6    -0.01   0.01  -0.00     0.00   0.00  -0.00     0.00  -0.01   0.00
     8   6     0.09  -0.08   0.00     0.01   0.00  -0.00    -0.03   0.02  -0.00
     9   6    -0.11   0.06  -0.00    -0.01  -0.01   0.00     0.05   0.01  -0.00
    10   6    -0.06  -0.07   0.00    -0.01   0.01  -0.00     0.03  -0.00   0.00
    11   6    -0.04   0.00   0.00     0.00  -0.00   0.00     0.01   0.00  -0.00
    12   6     0.05   0.04  -0.00    -0.00   0.00   0.00    -0.01  -0.01  -0.00
    13   6     0.05   0.01   0.00    -0.01   0.00   0.00    -0.01  -0.01  -0.00
    14   6    -0.02  -0.01  -0.00     0.01  -0.00   0.00     0.00   0.00   0.00
    15   7     0.01  -0.00   0.00    -0.00   0.01  -0.00    -0.01  -0.01   0.00
    16   6     0.02  -0.04   0.00     0.01   0.00  -0.00    -0.01  -0.01   0.00
    17   6     0.01   0.10  -0.00     0.00  -0.01   0.00    -0.01  -0.01   0.00
    18   7     0.01  -0.04   0.00     0.01  -0.00   0.00    -0.02   0.01  -0.00
    19   6     0.03  -0.01   0.00     0.01  -0.00   0.00    -0.01   0.01  -0.00
    20   6    -0.03   0.02  -0.00    -0.01   0.00  -0.00     0.01  -0.00   0.00
    21   6    -0.04  -0.02   0.00    -0.01  -0.00  -0.00     0.02  -0.00  -0.00
    22   6     0.03  -0.00   0.00     0.00   0.01  -0.00    -0.01  -0.00  -0.00
    23   6    -0.00   0.01  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    24   6    -0.04  -0.01   0.01    -0.00  -0.01   0.00     0.01   0.02  -0.01
    25   6     0.02  -0.00  -0.00     0.01   0.02  -0.01    -0.01   0.01  -0.00
    26   6    -0.02   0.00   0.00    -0.02   0.01  -0.01     0.07  -0.05   0.02
    27   6     0.04   0.00  -0.01     0.01  -0.00  -0.00    -0.05   0.00   0.00
    28   6     0.04  -0.03   0.01    -0.01  -0.02   0.00     0.02   0.06  -0.01
    29   6     0.00   0.01  -0.01    -0.01   0.01  -0.00     0.04  -0.02   0.00
    30   6    -0.00   0.01  -0.01     0.03   0.00  -0.01    -0.08  -0.00   0.02
    31   6    -0.01  -0.00  -0.00    -0.00  -0.00   0.00     0.00   0.01  -0.00
    32   6     0.02   0.01   0.01     0.00   0.00  -0.00    -0.01  -0.00  -0.00
    33   6     0.01   0.01  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    34   6    -0.00  -0.01   0.00    -0.00  -0.00   0.00     0.00   0.01  -0.00
    35   6     0.01   0.00   0.00     0.00   0.00   0.00    -0.01  -0.00  -0.00
    36   6     0.00   0.01  -0.00    -0.08  -0.00   0.02    -0.03  -0.00   0.01
    37   6     0.01  -0.01   0.01     0.04  -0.02   0.00     0.01  -0.00  -0.00
    38   6     0.01  -0.00   0.00     0.02   0.06  -0.01     0.00   0.02  -0.01
    39   6    -0.00   0.01  -0.00    -0.04   0.01  -0.00    -0.02  -0.00   0.00
    40   6     0.01  -0.01   0.00     0.07  -0.05   0.02     0.02  -0.01   0.01
    41   7    -0.02  -0.02   0.00     0.01  -0.01  -0.00    -0.01   0.01   0.00
    42   7    -0.07   0.01  -0.00     0.01   0.05   0.01    -0.05  -0.14  -0.03
    43   7    -0.02   0.00  -0.00    -0.05  -0.14  -0.03    -0.01  -0.05  -0.01
    44   6    -0.06  -0.07  -0.03    -0.04  -0.05  -0.02     0.11   0.15   0.05
    45   6     0.05  -0.09  -0.02     0.06  -0.03  -0.00    -0.18   0.09   0.01
    46   6     0.11   0.05   0.02    -0.08   0.00  -0.01     0.21  -0.01   0.02
    47   6    -0.02   0.12   0.03     0.01  -0.07  -0.02    -0.02   0.20   0.05
    48   6     0.01  -0.03  -0.01    -0.00   0.01   0.00     0.00  -0.01  -0.00
    49   6     0.04   0.00  -0.01    -0.01  -0.01   0.00     0.01   0.01  -0.00
    50   6     0.00   0.04   0.01     0.01   0.01   0.00    -0.01  -0.01  -0.00
    51   6    -0.03   0.01   0.01    -0.01   0.00   0.00     0.01  -0.01  -0.00
    52   6    -0.01  -0.01  -0.00     0.13   0.16   0.05     0.04   0.05   0.02
    53   6     0.01  -0.02  -0.00    -0.19   0.11   0.01    -0.06   0.03   0.00
    54   6     0.03   0.01   0.01     0.20  -0.02   0.01     0.07  -0.00   0.01
    55   6    -0.00   0.03   0.01    -0.01   0.18   0.05    -0.01   0.07   0.02
    56   6    -0.02  -0.03  -0.01     0.03   0.04   0.01    -0.08  -0.10  -0.04
    57   6    -0.08   0.06   0.01     0.04  -0.05  -0.01    -0.11   0.15   0.03
    58   6     0.09  -0.03  -0.00    -0.07   0.02  -0.00     0.18  -0.04   0.00
    59   6    -0.01  -0.04  -0.01     0.02   0.04   0.01    -0.07  -0.10  -0.03
    60   6     0.01   0.03   0.01    -0.00   0.04   0.01     0.01  -0.12  -0.03
    61   6     0.07  -0.01   0.00     0.06  -0.02   0.00    -0.17   0.06  -0.00
    62   6    -0.08  -0.01  -0.01    -0.05  -0.02  -0.01     0.16   0.07   0.03
    63   6     0.00   0.02   0.01    -0.01   0.05   0.01     0.02  -0.13  -0.03
    64   6     0.00  -0.01  -0.00     0.00  -0.01  -0.00    -0.00   0.01   0.00
    65   6    -0.02  -0.01   0.00    -0.01  -0.00   0.00     0.01   0.00  -0.00
    66   6     0.02   0.01  -0.00     0.01   0.01  -0.00    -0.01  -0.01   0.00
    67   6     0.01  -0.01  -0.00     0.00  -0.01  -0.00    -0.00   0.01   0.00
    68   6    -0.01   0.01   0.00     0.01  -0.00  -0.00    -0.01   0.00   0.00
    69   6     0.02   0.02   0.00    -0.01  -0.01   0.00     0.01   0.01  -0.00
    70   6    -0.01  -0.03  -0.00     0.00   0.01   0.00    -0.00  -0.01  -0.00
    71   6    -0.01   0.00   0.00     0.01  -0.00  -0.00    -0.01   0.00   0.00
    72   6    -0.01  -0.01  -0.00    -0.09  -0.10  -0.03    -0.03  -0.04  -0.01
    73   6    -0.02   0.02   0.00    -0.09   0.14   0.03    -0.04   0.05   0.01
    74   6     0.02  -0.01  -0.00     0.17  -0.04   0.00     0.07  -0.02   0.00
    75   6    -0.00  -0.01  -0.00    -0.07  -0.09  -0.03    -0.03  -0.04  -0.01
    76   6     0.00  -0.00   0.00     0.00  -0.13  -0.03     0.00  -0.04  -0.01
    77   6     0.01   0.00   0.00    -0.19   0.07  -0.00    -0.06   0.02  -0.00
    78   6    -0.01   0.00  -0.00     0.18   0.07   0.04     0.06   0.02   0.01
    79   6    -0.00   0.00   0.00     0.01  -0.14  -0.04     0.01  -0.05  -0.01
    80   1     0.18   0.05  -0.01    -0.03  -0.01   0.00    -0.04  -0.02   0.00
    81   1     0.01   0.13  -0.00    -0.00  -0.01   0.00    -0.00  -0.03   0.00
    82   1    -0.03  -0.09   0.00     0.00   0.01  -0.00     0.01   0.01   0.00
    83   1    -0.16  -0.06   0.00     0.01   0.00  -0.00     0.03   0.01  -0.00
    84   1     0.22  -0.27   0.00    -0.02   0.01  -0.00    -0.04   0.05   0.00
    85   1    -0.28  -0.07  -0.00    -0.00   0.00  -0.00     0.08   0.02   0.00
    86   1    -0.33   0.28  -0.00     0.01  -0.00   0.00     0.08  -0.07   0.00
    87   1    -0.01  -0.02  -0.00    -0.03  -0.01  -0.00     0.05   0.02  -0.00
    88   1     0.02  -0.03   0.00    -0.02   0.01   0.00     0.01   0.01   0.00
    89   1     0.07   0.01   0.00    -0.02   0.00   0.00     0.03   0.00   0.00
    90   1    -0.02   0.00   0.00     0.05  -0.05   0.03    -0.18   0.15  -0.08
    91   1    -0.04  -0.02   0.02     0.01  -0.01  -0.00    -0.05   0.02   0.02
    92   1     0.03  -0.01   0.00    -0.02   0.00  -0.01     0.03   0.00   0.01
    93   1    -0.01   0.01   0.00    -0.07  -0.01   0.02     0.19   0.04  -0.07
    94   1    -0.01  -0.03   0.00     0.00   0.01  -0.00    -0.00  -0.01   0.01
    95   1    -0.05  -0.02  -0.02    -0.00   0.00   0.00     0.01   0.00   0.00
    96   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.01   0.00
    97   1    -0.02  -0.01  -0.01    -0.01  -0.00  -0.00     0.01   0.00   0.00
    98   1    -0.04   0.00   0.01     0.21   0.03  -0.07     0.10   0.01  -0.03
    99   1    -0.04   0.04  -0.02     0.04  -0.01   0.02     0.03  -0.02   0.01
   100   1    -0.02   0.00   0.00    -0.06   0.02   0.02    -0.00   0.00   0.00
   101   1    -0.04   0.03  -0.01    -0.16   0.15  -0.08    -0.04   0.04  -0.02
   102   1    -0.07  -0.11  -0.04     0.02   0.03   0.01    -0.07  -0.07  -0.03
   103   1     0.09  -0.23  -0.06    -0.04   0.08   0.02     0.10  -0.21  -0.05
   104   1    -0.22  -0.03  -0.02     0.12   0.01   0.01    -0.33  -0.03  -0.03
   105   1    -0.05  -0.11  -0.03     0.01   0.02   0.01    -0.04  -0.06  -0.02
   106   1     0.01   0.11   0.03    -0.00   0.02   0.00     0.00  -0.05  -0.01
   107   1    -0.15   0.11   0.02    -0.08   0.06   0.01     0.25  -0.18  -0.02
   108   1     0.16   0.14   0.05     0.06   0.04   0.02    -0.17  -0.12  -0.05
   109   1    -0.00   0.12   0.03    -0.01   0.02   0.01     0.02  -0.07  -0.02
   110   1     0.02  -0.04  -0.01     0.00  -0.00  -0.00    -0.00   0.01   0.00
   111   1     0.07  -0.01  -0.02     0.01  -0.00  -0.00    -0.02   0.00   0.00
   112   1    -0.03  -0.06  -0.01    -0.01  -0.02  -0.00     0.01   0.02   0.00
   113   1     0.02  -0.04  -0.01     0.00  -0.00  -0.00    -0.00   0.00   0.00
   114   1    -0.04   0.03   0.01     0.00  -0.00  -0.00    -0.00   0.00   0.00
   115   1    -0.07  -0.03   0.01     0.02   0.01  -0.00    -0.02  -0.01   0.00
   116   1    -0.01   0.08   0.02     0.00  -0.01  -0.00    -0.00   0.01   0.00
   117   1    -0.04   0.02   0.01     0.01  -0.00  -0.00    -0.01   0.00   0.00
   118   1    -0.02  -0.03  -0.01    -0.06  -0.05  -0.03    -0.02  -0.01  -0.01
   119   1     0.02  -0.06  -0.01     0.08  -0.19  -0.04     0.03  -0.07  -0.02
   120   1    -0.05  -0.01  -0.01    -0.30  -0.02  -0.03    -0.11  -0.01  -0.01
   121   1    -0.01  -0.03  -0.01    -0.03  -0.04  -0.01    -0.01  -0.01  -0.00
   122   1     0.00   0.03   0.01     0.00  -0.07  -0.02     0.00  -0.03  -0.01
   123   1    -0.03   0.03   0.00     0.28  -0.21  -0.02     0.09  -0.07  -0.01
   124   1     0.03   0.03   0.01    -0.21  -0.14  -0.06    -0.06  -0.04  -0.02
   125   1    -0.00   0.03   0.01     0.02  -0.09  -0.03     0.01  -0.03  -0.01
   126  17    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
                    271                    272                    273
                      A                      A                      A
 Frequencies --   1390.2346              1396.7386              1399.4315
 Red. masses --      6.3064                 5.0313                 5.6576
 Frc consts  --      7.1814                 5.7831                 6.5281
 IR Inten    --      4.1090                42.6459                88.1094
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.01  -0.00    -0.03   0.06  -0.00    -0.02  -0.02   0.00
     2   6     0.00  -0.00  -0.00    -0.01  -0.08   0.00     0.00   0.00   0.00
     3   6     0.01  -0.01   0.00     0.07  -0.03   0.00    -0.02   0.01  -0.00
     4   6    -0.01   0.01  -0.00    -0.09   0.04  -0.00     0.03   0.01  -0.00
     5   6     0.00  -0.00   0.00    -0.02  -0.05   0.00     0.01   0.00  -0.00
     6   6     0.00  -0.00  -0.00     0.08   0.03  -0.00    -0.02  -0.01  -0.00
     7   6     0.00   0.00   0.00     0.02   0.06  -0.00    -0.00  -0.01   0.00
     8   6     0.01   0.01  -0.00    -0.11  -0.09   0.00     0.02  -0.00  -0.00
     9   6    -0.02  -0.02   0.00     0.17   0.12  -0.00    -0.02   0.00   0.00
    10   6    -0.02   0.01  -0.00     0.14  -0.06   0.00    -0.02  -0.01   0.00
    11   6    -0.00  -0.01   0.00    -0.03   0.08  -0.00     0.00  -0.01   0.00
    12   6     0.00   0.01  -0.00     0.02  -0.09   0.00     0.01   0.00  -0.00
    13   6    -0.01  -0.00   0.00     0.08   0.00  -0.00     0.00   0.00  -0.00
    14   6     0.00  -0.01   0.00    -0.06   0.06  -0.00     0.00  -0.01   0.00
    15   7     0.00   0.01  -0.00    -0.05  -0.08   0.00     0.00   0.01  -0.00
    16   6     0.01   0.01  -0.00    -0.06  -0.10   0.00     0.01   0.00  -0.00
    17   6     0.01  -0.02   0.00    -0.04   0.11  -0.00    -0.00   0.00  -0.00
    18   7     0.02  -0.00   0.00    -0.10   0.02  -0.00     0.01  -0.00   0.00
    19   6     0.01  -0.00   0.00    -0.06   0.04  -0.00     0.01  -0.00   0.00
    20   6    -0.01  -0.00  -0.00     0.03   0.03  -0.00    -0.01   0.00  -0.00
    21   6    -0.01  -0.00   0.00     0.06  -0.03   0.00    -0.00   0.01  -0.00
    22   6    -0.00   0.01  -0.00    -0.00  -0.04   0.00     0.01  -0.00   0.00
    23   6    -0.01   0.01  -0.01    -0.00  -0.00  -0.00     0.04   0.04  -0.00
    24   6     0.00  -0.00  -0.00    -0.01   0.01   0.00    -0.02   0.01  -0.00
    25   6     0.01  -0.00   0.00    -0.01   0.01  -0.00     0.00  -0.00   0.00
    26   6     0.00  -0.00   0.00     0.01   0.02  -0.01    -0.02  -0.01   0.01
    27   6     0.00   0.00  -0.00    -0.04  -0.01   0.01     0.04   0.00  -0.01
    28   6     0.00   0.00  -0.00    -0.04   0.00   0.01     0.08  -0.02   0.00
    29   6    -0.00   0.00  -0.00     0.01   0.01  -0.01     0.03  -0.02   0.01
    30   6    -0.00  -0.00   0.00    -0.01  -0.01   0.01    -0.01   0.02  -0.01
    31   6    -0.03  -0.07   0.02     0.01  -0.01   0.01     0.05  -0.01   0.03
    32   6     0.03   0.02  -0.00    -0.02  -0.01  -0.01    -0.08  -0.04  -0.02
    33   6    -0.04   0.04  -0.01    -0.03  -0.01  -0.01    -0.14  -0.14   0.00
    34   6    -0.02  -0.03   0.00     0.01  -0.00   0.00    -0.04  -0.07   0.02
    35   6     0.07   0.03   0.02    -0.01  -0.00  -0.00    -0.01   0.05  -0.03
    36   6     0.00   0.00  -0.00    -0.02  -0.03   0.02     0.00  -0.00   0.00
    37   6     0.00  -0.00   0.00    -0.02   0.03  -0.02    -0.00   0.00  -0.00
    38   6     0.00  -0.00   0.00    -0.09   0.04  -0.01    -0.01   0.00   0.00
    39   6     0.00   0.00  -0.00    -0.05  -0.02   0.02     0.00   0.00  -0.00
    40   6     0.00  -0.00   0.00     0.01   0.02  -0.02     0.00   0.00  -0.00
    41   7     0.11  -0.11  -0.04     0.04   0.02  -0.00     0.23   0.23  -0.01
    42   7    -0.01  -0.01  -0.00     0.07  -0.00   0.00    -0.14   0.04  -0.00
    43   7    -0.00   0.01   0.00     0.16  -0.05   0.00     0.01  -0.00   0.00
    44   6     0.01   0.02   0.01    -0.04  -0.01  -0.01     0.05  -0.00   0.00
    45   6    -0.02   0.01   0.00     0.01  -0.02  -0.01     0.01   0.03   0.01
    46   6     0.02  -0.00   0.00    -0.01   0.02   0.00    -0.00  -0.03  -0.01
    47   6    -0.00   0.02   0.00    -0.03  -0.00  -0.00     0.05  -0.02  -0.00
    48   6    -0.08   0.19   0.05    -0.02  -0.00   0.00    -0.07  -0.09   0.00
    49   6    -0.18  -0.12   0.02    -0.00  -0.01  -0.00     0.04  -0.06  -0.02
    50   6     0.12   0.18   0.01    -0.00   0.02   0.00    -0.06   0.04   0.02
    51   6    -0.19   0.08   0.05    -0.03  -0.00   0.01    -0.09  -0.07   0.00
    52   6     0.00  -0.00  -0.00    -0.07   0.00  -0.00    -0.00  -0.00  -0.00
    53   6     0.00   0.00   0.00    -0.01  -0.05  -0.01    -0.00  -0.00  -0.00
    54   6    -0.01  -0.00  -0.00     0.02   0.04   0.01     0.00   0.00   0.00
    55   6     0.00  -0.01  -0.00    -0.06   0.05   0.00    -0.00   0.00   0.00
    56   6    -0.01  -0.01  -0.00     0.00  -0.02  -0.00     0.00   0.05   0.01
    57   6    -0.01   0.01   0.00    -0.01   0.01   0.00     0.02  -0.04  -0.01
    58   6     0.02  -0.00   0.00     0.01   0.01   0.00    -0.05  -0.01  -0.01
    59   6    -0.01  -0.01  -0.00    -0.01  -0.02  -0.01     0.03   0.05   0.02
    60   6     0.00  -0.01  -0.00    -0.00   0.04   0.01     0.00  -0.06  -0.02
    61   6    -0.02   0.01  -0.00     0.04  -0.02  -0.00    -0.04   0.04   0.01
    62   6     0.02   0.01   0.00    -0.03  -0.02  -0.01     0.04   0.02   0.01
    63   6     0.00  -0.01  -0.00     0.01   0.04   0.01    -0.02  -0.05  -0.01
    64   6     0.05  -0.14  -0.04     0.02  -0.02  -0.01     0.09  -0.06  -0.03
    65   6    -0.19  -0.02   0.04    -0.03  -0.00   0.01    -0.10   0.00   0.02
    66   6     0.13   0.15  -0.00     0.02   0.03   0.00     0.03   0.12   0.02
    67   6     0.05  -0.11  -0.03     0.01  -0.02  -0.01     0.07  -0.12  -0.04
    68   6     0.11  -0.06  -0.03    -0.01   0.01   0.00    -0.12   0.07   0.04
    69   6    -0.15  -0.14   0.00     0.01  -0.00  -0.00     0.12   0.03  -0.02
    70   6     0.02   0.19   0.03     0.00  -0.00  -0.00     0.00  -0.10  -0.02
    71   6     0.13  -0.05  -0.04     0.00   0.01   0.00    -0.06   0.09   0.03
    72   6     0.00   0.01   0.00    -0.01  -0.07  -0.02    -0.00  -0.00  -0.00
    73   6     0.01  -0.01  -0.00    -0.04   0.06   0.01    -0.00   0.00   0.00
    74   6    -0.01   0.00  -0.00     0.08   0.01   0.01     0.00   0.00   0.00
    75   6     0.00   0.01   0.00    -0.05  -0.07  -0.02    -0.00  -0.00  -0.00
    76   6    -0.00  -0.00  -0.00     0.00   0.08   0.02     0.00   0.00   0.00
    77   6     0.00   0.00   0.00     0.05  -0.05  -0.01     0.00  -0.00  -0.00
    78   6     0.00  -0.00  -0.00    -0.06  -0.03  -0.01    -0.00  -0.00  -0.00
    79   6    -0.00   0.00   0.00     0.03   0.06   0.02     0.00   0.00   0.00
    80   1    -0.02   0.01   0.00     0.09  -0.01  -0.00     0.01   0.00  -0.00
    81   1     0.00   0.00   0.00     0.04   0.13  -0.00    -0.00  -0.00  -0.01
    82   1    -0.00  -0.01   0.00    -0.03  -0.07   0.00     0.03   0.05  -0.00
    83   1    -0.01  -0.01   0.00    -0.10  -0.02   0.00     0.05   0.01   0.01
    84   1    -0.01  -0.00   0.00     0.15  -0.10   0.00     0.00  -0.00  -0.01
    85   1    -0.02  -0.01   0.00     0.04  -0.01  -0.00    -0.02  -0.00   0.00
    86   1     0.00  -0.01   0.00    -0.02   0.02  -0.00    -0.04   0.03  -0.00
    87   1    -0.05  -0.02   0.00     0.37   0.14  -0.01    -0.02  -0.01   0.00
    88   1    -0.03   0.02   0.00     0.12  -0.05   0.00     0.00  -0.01   0.00
    89   1    -0.04   0.01  -0.00     0.31   0.01   0.00    -0.02  -0.01  -0.00
    90   1    -0.02   0.02  -0.01     0.10  -0.05   0.02    -0.10   0.05  -0.02
    91   1    -0.02  -0.00   0.01     0.16   0.03  -0.05    -0.11  -0.03   0.03
    92   1     0.01  -0.01   0.01     0.01   0.00  -0.01    -0.07   0.07  -0.03
    93   1     0.02   0.00  -0.01     0.06   0.01  -0.01    -0.11   0.01   0.02
    94   1     0.07   0.22  -0.08     0.04   0.06  -0.02     0.15   0.21  -0.05
    95   1     0.04   0.04   0.02     0.10   0.04   0.04     0.22   0.06   0.07
    96   1    -0.04  -0.03   0.02     0.00  -0.01   0.01     0.06   0.22  -0.08
    97   1    -0.21  -0.07  -0.07     0.03   0.01   0.00     0.21   0.15   0.04
    98   1    -0.02  -0.00   0.01     0.21  -0.00  -0.04     0.00  -0.00  -0.00
    99   1    -0.02   0.01  -0.01     0.13  -0.11   0.05     0.01  -0.01   0.00
   100   1    -0.01   0.00   0.00     0.18   0.02  -0.05    -0.00   0.00   0.00
   101   1    -0.00   0.00   0.00     0.15  -0.10   0.03     0.00  -0.00   0.00
   102   1    -0.01  -0.01  -0.00     0.05   0.05   0.02    -0.08  -0.09  -0.03
   103   1     0.01  -0.02  -0.00     0.01  -0.01  -0.00    -0.02   0.03   0.01
   104   1    -0.03  -0.00  -0.00     0.03   0.01   0.01     0.00  -0.02  -0.01
   105   1    -0.00  -0.01  -0.00     0.03   0.04   0.01    -0.04  -0.06  -0.02
   106   1     0.00  -0.01  -0.00     0.00  -0.02  -0.00    -0.01   0.07   0.02
   107   1     0.03  -0.02  -0.00    -0.04   0.02  -0.00     0.01   0.01   0.01
   108   1    -0.02  -0.01  -0.00     0.03   0.02   0.01    -0.03  -0.02  -0.01
   109   1     0.00  -0.01  -0.00     0.01  -0.06  -0.01    -0.03   0.12   0.03
   110   1     0.02  -0.09  -0.03    -0.01   0.03   0.01    -0.09   0.27   0.06
   111   1     0.24  -0.02  -0.05     0.02  -0.00  -0.01     0.08   0.01  -0.02
   112   1    -0.15  -0.31  -0.02    -0.02  -0.03  -0.00    -0.03   0.02   0.02
   113   1     0.03  -0.06  -0.02    -0.00   0.01   0.00    -0.07   0.15   0.04
   114   1     0.06  -0.03  -0.02     0.03  -0.01  -0.01     0.15  -0.07  -0.04
   115   1     0.32   0.15  -0.03     0.03   0.01  -0.00     0.01  -0.04  -0.01
   116   1     0.02  -0.24  -0.05     0.00   0.01   0.00     0.01   0.08   0.01
   117   1     0.09  -0.03  -0.03     0.04  -0.01  -0.01     0.27  -0.09  -0.07
   118   1    -0.00   0.00   0.00     0.10   0.10   0.03     0.01   0.01   0.00
   119   1    -0.01   0.02   0.00     0.03  -0.07  -0.02     0.00  -0.00  -0.00
   120   1     0.02   0.00   0.00    -0.04   0.02   0.00    -0.00   0.00   0.00
   121   1     0.00   0.00   0.00     0.04   0.05   0.01     0.00   0.00   0.00
   122   1    -0.00   0.00   0.00     0.01  -0.07  -0.01     0.00  -0.00  -0.00
   123   1    -0.00   0.00   0.00    -0.03  -0.00  -0.01    -0.00   0.00  -0.00
   124   1    -0.00  -0.00  -0.00     0.06   0.03   0.01     0.00   0.00   0.00
   125   1    -0.00   0.01   0.00     0.03  -0.14  -0.03     0.00  -0.01  -0.00
   126  17     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
                    274                    275                    276
                      A                      A                      A
 Frequencies --   1399.9226              1401.3717              1436.5750
 Red. masses --      5.3611                 5.7470                 3.8019
 Frc consts  --      6.1903                 6.6497                 4.6229
 IR Inten    --     68.0394               151.9402                38.6961
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.01   0.00     0.02  -0.03   0.00     0.02  -0.10  -0.00
     2   6     0.01   0.00   0.00     0.01   0.04  -0.00    -0.05  -0.00   0.00
     3   6    -0.02   0.01  -0.00    -0.05   0.01  -0.00     0.03   0.11  -0.00
     4   6     0.02  -0.00   0.00     0.05  -0.03   0.00    -0.07  -0.02   0.00
     5   6     0.01  -0.00  -0.00     0.01   0.03  -0.00    -0.01  -0.01   0.00
     6   6    -0.02  -0.01  -0.00    -0.05  -0.02   0.00     0.04   0.05  -0.00
     7   6    -0.01  -0.02   0.00    -0.00  -0.03   0.00     0.13  -0.08   0.00
     8   6     0.02   0.03  -0.00     0.09   0.06  -0.00    -0.07  -0.01   0.00
     9   6    -0.01  -0.01   0.00    -0.15  -0.11   0.00     0.01   0.04  -0.00
    10   6    -0.01   0.00   0.00    -0.11   0.07  -0.00     0.05  -0.02   0.00
    11   6     0.02  -0.00  -0.00     0.02  -0.05   0.00    -0.07  -0.03  -0.00
    12   6    -0.04  -0.01   0.00    -0.02   0.06  -0.00    -0.03   0.13   0.00
    13   6    -0.04   0.00   0.00    -0.07   0.00   0.00     0.07  -0.03   0.00
    14   6     0.02   0.00   0.00     0.05  -0.05   0.00    -0.03   0.00  -0.00
    15   7     0.00   0.01  -0.00     0.04   0.07  -0.00     0.05  -0.02   0.00
    16   6     0.00   0.01  -0.00     0.06   0.09  -0.00    -0.05   0.08  -0.00
    17   6     0.00  -0.02   0.00     0.03  -0.12   0.00    -0.05  -0.13   0.00
    18   7     0.00   0.00  -0.00     0.10  -0.01   0.00     0.05   0.07  -0.00
    19   6     0.00   0.00   0.00     0.04  -0.04   0.00    -0.08   0.01  -0.00
    20   6     0.00  -0.01   0.00    -0.03  -0.03  -0.00     0.07  -0.05   0.00
    21   6     0.01   0.00  -0.00    -0.06   0.06  -0.00     0.09   0.06  -0.00
    22   6    -0.00   0.00  -0.00    -0.02   0.03   0.00    -0.07  -0.04   0.00
    23   6     0.02   0.01   0.00     0.01   0.00   0.00     0.03   0.01   0.02
    24   6     0.05  -0.01  -0.00     0.03  -0.01  -0.00     0.03   0.01  -0.03
    25   6    -0.02   0.00   0.00     0.07  -0.02   0.00    -0.02   0.03  -0.02
    26   6     0.04   0.02  -0.03     0.01   0.00  -0.00    -0.07   0.00   0.01
    27   6    -0.09  -0.01   0.02    -0.00   0.00  -0.00     0.11  -0.01  -0.01
    28   6    -0.17   0.05  -0.01    -0.04   0.02  -0.00    -0.01   0.02  -0.01
    29   6    -0.05   0.04  -0.01    -0.03   0.01  -0.00    -0.11   0.04  -0.01
    30   6     0.01  -0.04   0.03     0.02  -0.01   0.01     0.10  -0.03   0.01
    31   6     0.02  -0.00   0.01    -0.00   0.00  -0.00    -0.04  -0.02  -0.01
    32   6    -0.03  -0.02  -0.01     0.00   0.00  -0.00     0.06   0.04   0.01
    33   6    -0.06  -0.06   0.00     0.00  -0.01   0.00     0.00  -0.02   0.01
    34   6    -0.01  -0.03   0.01    -0.01  -0.01   0.00    -0.06  -0.06   0.00
    35   6    -0.01   0.02  -0.02     0.00   0.00  -0.00     0.05   0.05  -0.01
    36   6    -0.00   0.02  -0.01     0.03  -0.04   0.03     0.02  -0.02   0.01
    37   6     0.02  -0.02   0.01    -0.08   0.05  -0.01    -0.04   0.02  -0.01
    38   6     0.06  -0.02   0.00    -0.17   0.05  -0.00     0.02   0.01  -0.01
    39   6     0.03   0.00  -0.01    -0.06   0.00   0.01     0.05  -0.02   0.00
    40   6    -0.01  -0.01   0.01     0.04   0.02  -0.03    -0.05   0.01   0.00
    41   7     0.10   0.10  -0.00     0.00   0.01   0.00    -0.00   0.02  -0.00
    42   7     0.29  -0.08   0.00     0.07  -0.03   0.00     0.01  -0.03   0.00
    43   7    -0.10   0.03  -0.00     0.27  -0.09   0.00    -0.02  -0.01   0.00
    44   6    -0.10   0.01  -0.00    -0.02   0.01   0.00    -0.00   0.01   0.00
    45   6    -0.03  -0.06  -0.02    -0.01  -0.01  -0.00    -0.01   0.01   0.00
    46   6     0.00   0.06   0.02     0.01   0.02   0.01     0.01   0.01   0.00
    47   6    -0.10   0.04   0.00    -0.02   0.02   0.00     0.00   0.01   0.00
    48   6    -0.03  -0.04   0.00     0.00  -0.01  -0.00     0.00  -0.00  -0.00
    49   6     0.01  -0.02  -0.01     0.01   0.00  -0.00     0.01  -0.00  -0.00
    50   6    -0.03   0.01   0.01    -0.00  -0.00   0.00    -0.00  -0.01  -0.00
    51   6    -0.03  -0.03   0.00     0.00  -0.01  -0.00     0.00  -0.01  -0.00
    52   6     0.04  -0.01   0.00    -0.09   0.02   0.00     0.00   0.00   0.00
    53   6     0.01   0.02   0.01    -0.04  -0.05  -0.02    -0.00   0.01   0.00
    54   6    -0.00  -0.02  -0.01     0.00   0.06   0.02     0.01  -0.00   0.00
    55   6     0.03  -0.02   0.00    -0.08   0.04  -0.00     0.01   0.00   0.00
    56   6    -0.01  -0.10  -0.03    -0.01  -0.03  -0.01    -0.01  -0.01  -0.00
    57   6    -0.05   0.08   0.02    -0.01   0.02   0.01    -0.00   0.00   0.00
    58   6     0.11   0.03   0.02     0.03   0.00   0.00     0.02  -0.00   0.00
    59   6    -0.07  -0.11  -0.04    -0.02  -0.03  -0.01    -0.01  -0.00  -0.00
    60   6    -0.00   0.13   0.04     0.00   0.03   0.01     0.00   0.01   0.00
    61   6     0.08  -0.08  -0.01     0.01  -0.02  -0.00    -0.01   0.00  -0.00
    62   6    -0.08  -0.05  -0.02    -0.02  -0.01  -0.00     0.00  -0.00  -0.00
    63   6     0.04   0.09   0.03     0.01   0.02   0.01     0.01  -0.01  -0.00
    64   6     0.04  -0.03  -0.01     0.00   0.00   0.00     0.00   0.01   0.00
    65   6    -0.04   0.00   0.01     0.00   0.00  -0.00    -0.00   0.00   0.00
    66   6     0.01   0.05   0.01    -0.00  -0.00   0.00    -0.01  -0.01   0.00
    67   6     0.03  -0.05  -0.02     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    68   6    -0.05   0.03   0.02    -0.01   0.00   0.00    -0.00  -0.00   0.00
    69   6     0.05   0.01  -0.01     0.01   0.00  -0.00     0.01   0.01  -0.00
    70   6     0.00  -0.04  -0.01    -0.00  -0.01  -0.00    -0.00  -0.00  -0.00
    71   6    -0.03   0.04   0.01    -0.01   0.00   0.00    -0.01   0.00   0.00
    72   6     0.00   0.04   0.01    -0.01  -0.09  -0.03    -0.00  -0.00  -0.00
    73   6     0.02  -0.03  -0.01    -0.04   0.07   0.02    -0.00  -0.00  -0.00
    74   6    -0.04  -0.01  -0.01     0.10   0.02   0.02     0.01  -0.00   0.00
    75   6     0.03   0.04   0.01    -0.07  -0.10  -0.03    -0.00   0.00   0.00
    76   6    -0.00  -0.05  -0.01     0.00   0.12   0.03     0.00  -0.00  -0.00
    77   6    -0.03   0.03   0.01     0.06  -0.07  -0.01    -0.01   0.01   0.00
    78   6     0.03   0.02   0.01    -0.07  -0.04  -0.02     0.00   0.00   0.00
    79   6    -0.02  -0.03  -0.01     0.04   0.08   0.02     0.00  -0.01  -0.00
    80   1    -0.01  -0.01   0.00    -0.09   0.00   0.00    -0.09  -0.12   0.00
    81   1    -0.01  -0.05  -0.00    -0.02  -0.09   0.00     0.01   0.24  -0.01
    82   1     0.02   0.05  -0.00     0.02   0.07  -0.00    -0.03  -0.09   0.00
    83   1     0.06   0.02   0.00     0.09   0.02  -0.00    -0.24  -0.03  -0.00
    84   1    -0.08   0.10   0.01    -0.13   0.09   0.00     0.13  -0.25   0.01
    85   1     0.11   0.04  -0.01    -0.03   0.01  -0.00    -0.32  -0.13   0.00
    86   1     0.13  -0.10   0.00     0.04  -0.04   0.00    -0.08   0.04  -0.00
    87   1    -0.05  -0.01   0.00    -0.27  -0.11   0.00     0.06   0.05  -0.00
    88   1    -0.02   0.02  -0.00    -0.09   0.03   0.01     0.02   0.01  -0.00
    89   1    -0.04  -0.00   0.00    -0.26  -0.01  -0.01     0.03  -0.02   0.01
    90   1     0.21  -0.09   0.04     0.03  -0.01   0.01     0.04  -0.10   0.06
    91   1     0.22   0.06  -0.07    -0.03   0.00   0.01    -0.28  -0.07   0.11
    92   1     0.13  -0.13   0.06     0.05  -0.06   0.03     0.13  -0.18   0.11
    93   1     0.23  -0.02  -0.04     0.05  -0.02  -0.01    -0.16  -0.09   0.08
    94   1     0.06   0.08  -0.02    -0.00  -0.00   0.00    -0.01   0.07  -0.04
    95   1     0.10   0.03   0.03    -0.02  -0.01  -0.01    -0.20  -0.05  -0.08
    96   1     0.02   0.09  -0.03     0.01   0.03  -0.01     0.02   0.14  -0.08
    97   1     0.09   0.06   0.02     0.01   0.01   0.00    -0.14  -0.01  -0.06
    98   1    -0.09   0.01   0.02     0.19  -0.04  -0.03    -0.02  -0.03   0.03
    99   1    -0.06   0.06  -0.02     0.13  -0.16   0.07     0.11  -0.11   0.06
   100   1    -0.08  -0.02   0.03     0.13   0.04  -0.04    -0.07  -0.04   0.05
   101   1    -0.08   0.04  -0.02     0.18  -0.08   0.04     0.06  -0.09   0.05
   102   1     0.18   0.19   0.07     0.04   0.05   0.02     0.01   0.03   0.01
   103   1     0.04  -0.06  -0.01     0.01  -0.02  -0.00    -0.01   0.02   0.00
   104   1    -0.01   0.04   0.01    -0.02   0.01   0.00    -0.04   0.00  -0.00
   105   1     0.08   0.12   0.03     0.01   0.02   0.00    -0.01  -0.00  -0.01
   106   1     0.01  -0.15  -0.03     0.00  -0.04  -0.01     0.01  -0.03  -0.01
   107   1    -0.02  -0.03  -0.01     0.01  -0.02  -0.00     0.05  -0.03  -0.00
   108   1     0.06   0.03   0.01     0.02   0.01   0.00     0.02   0.01   0.00
   109   1     0.06  -0.25  -0.06     0.01  -0.06  -0.01     0.01   0.00   0.00
   110   1    -0.04   0.12   0.03    -0.00   0.01   0.00     0.00   0.00  -0.00
   111   1     0.03   0.00  -0.01     0.00   0.00  -0.00     0.02   0.00  -0.00
   112   1    -0.01   0.02   0.01     0.01   0.01   0.00     0.02   0.03   0.00
   113   1    -0.03   0.07   0.02    -0.00   0.01   0.00    -0.01   0.02   0.01
   114   1     0.07  -0.03  -0.02    -0.00  -0.00   0.00    -0.01  -0.00   0.00
   115   1     0.01  -0.01  -0.01    -0.01  -0.01   0.00    -0.03  -0.02   0.00
   116   1     0.00   0.03   0.00    -0.00   0.00   0.00    -0.00  -0.02  -0.00
   117   1     0.12  -0.04  -0.03     0.01  -0.00  -0.00     0.02  -0.01  -0.01
   118   1    -0.07  -0.07  -0.02     0.17   0.18   0.06    -0.00   0.01   0.00
   119   1    -0.01   0.02   0.00     0.03  -0.04  -0.01    -0.01   0.01   0.00
   120   1    -0.00  -0.01  -0.01     0.00   0.03   0.01    -0.03   0.00  -0.00
   121   1    -0.03  -0.05  -0.01     0.09   0.12   0.03    -0.01  -0.01  -0.00
   122   1    -0.00   0.06   0.01     0.01  -0.15  -0.03     0.00  -0.01  -0.00
   123   1     0.01   0.01   0.01    -0.00  -0.04  -0.01     0.03  -0.01  -0.00
   124   1    -0.02  -0.01  -0.00     0.05   0.02   0.01     0.01   0.01   0.00
   125   1    -0.02   0.09   0.02     0.05  -0.25  -0.06     0.00   0.02   0.00
   126  17    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
                    277                    278                    279
                      A                      A                      A
 Frequencies --   1441.5948              1443.2979              1454.5094
 Red. masses --      3.7286                 3.8288                 4.1653
 Frc consts  --      4.5654                 4.6992                 5.1919
 IR Inten    --     18.5767                21.4794                31.7186
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.05  -0.09  -0.01    -0.03  -0.01   0.00     0.00   0.02  -0.00
     2   6    -0.08  -0.02   0.00     0.05   0.09  -0.00     0.01  -0.01   0.00
     3   6     0.12   0.10  -0.00    -0.06  -0.06   0.00     0.01  -0.02   0.00
     4   6    -0.04  -0.04   0.00    -0.02   0.03   0.00    -0.04  -0.01   0.00
     5   6    -0.04  -0.06   0.00     0.08   0.08  -0.00    -0.00  -0.04   0.00
     6   6     0.03   0.07  -0.00    -0.08  -0.08   0.00    -0.02   0.01   0.00
     7   6    -0.06  -0.01   0.00     0.15  -0.02  -0.00     0.00   0.04  -0.00
     8   6    -0.04  -0.02   0.00    -0.11   0.04   0.00    -0.02  -0.02   0.00
     9   6     0.07  -0.02   0.00     0.11  -0.06   0.00     0.02  -0.04   0.00
    10   6    -0.03   0.08  -0.00    -0.02   0.03  -0.00     0.06   0.07  -0.00
    11   6     0.06  -0.03   0.00    -0.08  -0.01  -0.00     0.03  -0.03   0.00
    12   6    -0.02   0.01  -0.00    -0.02   0.07   0.01    -0.00  -0.00   0.00
    13   6    -0.07   0.00  -0.00     0.06  -0.04  -0.00    -0.05  -0.00  -0.00
    14   6     0.06   0.00   0.00    -0.06   0.02  -0.00     0.03   0.01  -0.00
    15   7    -0.02   0.01  -0.00    -0.05   0.01  -0.00    -0.07   0.02  -0.00
    16   6     0.01  -0.04   0.00     0.04  -0.07   0.00     0.06  -0.15   0.01
    17   6     0.07   0.06  -0.00     0.04   0.07  -0.00    -0.12   0.14  -0.01
    18   7    -0.03  -0.05   0.00    -0.04  -0.03   0.00    -0.02  -0.03   0.00
    19   6     0.04  -0.02   0.00     0.05  -0.01   0.00     0.18   0.02  -0.00
    20   6    -0.04   0.06  -0.00    -0.06   0.05  -0.00    -0.13   0.03  -0.00
    21   6    -0.08  -0.08  -0.00    -0.07  -0.06  -0.00    -0.05  -0.03   0.01
    22   6     0.05   0.05  -0.00     0.07   0.04  -0.00     0.13  -0.00  -0.00
    23   6     0.04  -0.02   0.04     0.00   0.01  -0.01     0.01  -0.02   0.02
    24   6     0.01   0.00   0.00     0.02   0.03  -0.04     0.01   0.03  -0.02
    25   6     0.01  -0.04   0.03     0.01  -0.04   0.03     0.03   0.07  -0.06
    26   6     0.01  -0.00   0.00    -0.09   0.01   0.01    -0.05   0.00   0.01
    27   6    -0.01   0.00   0.00     0.11  -0.02  -0.01     0.05  -0.02   0.00
    28   6    -0.00   0.01  -0.00    -0.00   0.03  -0.02     0.01   0.03  -0.02
    29   6     0.01  -0.01   0.00    -0.12   0.04  -0.00    -0.05   0.01   0.00
    30   6    -0.00   0.00  -0.00     0.10  -0.04   0.01     0.05  -0.02   0.01
    31   6    -0.09  -0.06  -0.01     0.03   0.03   0.00    -0.03  -0.03  -0.00
    32   6     0.11   0.09   0.01    -0.04  -0.03  -0.00     0.03   0.03  -0.00
    33   6     0.02  -0.03   0.03    -0.01  -0.00  -0.00     0.02  -0.01   0.02
    34   6    -0.10  -0.11   0.01     0.02   0.04  -0.01    -0.03  -0.03   0.00
    35   6     0.08   0.10  -0.01    -0.02  -0.03   0.01     0.02   0.03  -0.01
    36   6    -0.06   0.04  -0.01    -0.05   0.03  -0.01     0.13  -0.06   0.01
    37   6     0.09  -0.04   0.01     0.08  -0.03   0.01    -0.15   0.04   0.00
    38   6    -0.02  -0.03   0.02    -0.02  -0.03   0.02     0.01   0.06  -0.04
    39   6    -0.10   0.03  -0.00    -0.08   0.03  -0.00     0.15  -0.04  -0.00
    40   6     0.09  -0.02  -0.01     0.08  -0.02  -0.01    -0.14   0.02   0.02
    41   7    -0.02   0.03  -0.00     0.01  -0.00   0.00    -0.01   0.01  -0.00
    42   7     0.00  -0.00  -0.00     0.00  -0.03   0.00    -0.00  -0.01   0.00
    43   7     0.02   0.02  -0.00     0.01   0.02  -0.00    -0.01  -0.03   0.01
    44   6     0.00   0.00   0.00    -0.00   0.01   0.00    -0.00   0.00   0.00
    45   6    -0.00  -0.00  -0.00    -0.01   0.01   0.00    -0.00   0.01   0.00
    46   6    -0.00   0.00   0.00     0.00   0.01   0.00     0.01   0.00   0.00
    47   6    -0.00   0.00  -0.00     0.01   0.00   0.00     0.00   0.00   0.00
    48   6     0.01  -0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    49   6     0.01  -0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
    50   6    -0.00  -0.01  -0.00    -0.00   0.00   0.00     0.00  -0.01  -0.00
    51   6     0.00  -0.01  -0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
    52   6     0.00  -0.01  -0.00     0.00  -0.01  -0.00    -0.01   0.01   0.00
    53   6     0.00  -0.01  -0.00     0.00  -0.01  -0.00    -0.01   0.01   0.00
    54   6    -0.01  -0.00  -0.00    -0.01  -0.00  -0.00     0.02   0.01   0.00
    55   6    -0.01  -0.00  -0.00    -0.01  -0.00  -0.00     0.01   0.00   0.00
    56   6    -0.00  -0.00  -0.00    -0.01  -0.01  -0.00    -0.01  -0.01  -0.00
    57   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
    58   6     0.00   0.00   0.00     0.02   0.00   0.00     0.01   0.00   0.00
    59   6    -0.00  -0.00  -0.00    -0.01  -0.00  -0.00    -0.00   0.00   0.00
    60   6     0.00   0.00   0.00     0.01   0.01   0.00     0.00  -0.00   0.00
    61   6    -0.00  -0.00  -0.00    -0.02   0.01  -0.00    -0.01   0.01   0.00
    62   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    63   6     0.00   0.00   0.00     0.01  -0.01  -0.00     0.00  -0.01  -0.00
    64   6     0.00   0.01   0.00     0.00  -0.00  -0.00    -0.00   0.01   0.00
    65   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    66   6    -0.01  -0.02  -0.00     0.00   0.00   0.00    -0.00  -0.01  -0.00
    67   6     0.01   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    68   6    -0.01  -0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    69   6     0.02   0.01  -0.00    -0.00  -0.00   0.00     0.01   0.00  -0.00
    70   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    71   6    -0.02   0.00   0.00     0.00   0.00  -0.00    -0.01   0.00   0.00
    72   6     0.01   0.00   0.00     0.01   0.00   0.00    -0.02  -0.01  -0.00
    73   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    74   6    -0.02   0.00  -0.00    -0.01   0.00  -0.00     0.03  -0.00   0.00
    75   6     0.00  -0.01  -0.00     0.00  -0.00  -0.00    -0.01   0.01   0.00
    76   6    -0.01   0.01   0.00    -0.01   0.00   0.00     0.01  -0.00   0.00
    77   6     0.02  -0.01  -0.00     0.01  -0.01  -0.00    -0.02   0.01   0.00
    78   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    79   6    -0.00   0.01   0.00    -0.00   0.01   0.00     0.01  -0.02  -0.00
    80   1    -0.20  -0.04   0.00    -0.13   0.07   0.00    -0.04   0.07  -0.00
    81   1    -0.05   0.14  -0.01    -0.05  -0.33   0.01     0.00  -0.02  -0.00
    82   1    -0.01   0.12  -0.00     0.02  -0.21   0.00     0.03   0.09  -0.00
    83   1    -0.20   0.01  -0.01     0.19  -0.01   0.00     0.10   0.04  -0.00
    84   1    -0.06   0.10  -0.00    -0.01  -0.09   0.01    -0.12   0.12   0.00
    85   1     0.15   0.06  -0.00    -0.13  -0.09   0.01     0.11   0.04   0.00
    86   1    -0.05   0.12  -0.00     0.14  -0.18   0.00     0.02   0.02   0.00
    87   1     0.07  -0.02  -0.00     0.06  -0.02  -0.00    -0.19  -0.07   0.00
    88   1     0.03  -0.03  -0.00     0.03  -0.04  -0.00    -0.05  -0.07   0.01
    89   1    -0.04   0.04  -0.01    -0.06   0.02  -0.01    -0.10  -0.05   0.01
    90   1    -0.01   0.02  -0.01     0.06  -0.13   0.08     0.05  -0.08   0.05
    91   1     0.01   0.01  -0.01    -0.26  -0.08   0.12    -0.11  -0.05   0.06
    92   1    -0.02   0.02  -0.01     0.15  -0.20   0.12     0.06  -0.09   0.06
    93   1    -0.00   0.00  -0.00    -0.17  -0.09   0.09    -0.09  -0.05   0.05
    94   1    -0.01   0.18  -0.10    -0.01  -0.08   0.04     0.01   0.08  -0.04
    95   1    -0.33  -0.07  -0.15     0.08   0.01   0.04    -0.08  -0.01  -0.04
    96   1     0.05   0.30  -0.15    -0.03  -0.11   0.05     0.02   0.10  -0.05
    97   1    -0.22  -0.00  -0.11     0.04  -0.00   0.03    -0.07  -0.00  -0.04
    98   1     0.09   0.06  -0.06     0.09   0.06  -0.06    -0.26  -0.12   0.14
    99   1    -0.17   0.19  -0.11    -0.14   0.17  -0.10     0.18  -0.26   0.16
   100   1     0.18   0.07  -0.10     0.16   0.07  -0.09    -0.33  -0.11   0.16
   101   1    -0.09   0.15  -0.08    -0.08   0.14  -0.07     0.12  -0.22   0.14
   102   1     0.00   0.00   0.00     0.02   0.04   0.01     0.01   0.02   0.00
   103   1     0.00   0.00   0.00    -0.02   0.03   0.01    -0.01   0.02   0.00
   104   1     0.00   0.00   0.00    -0.04   0.00  -0.00    -0.04   0.00  -0.00
   105   1     0.00   0.00   0.00    -0.01   0.00  -0.00    -0.01  -0.00  -0.00
   106   1     0.00  -0.00  -0.00     0.01  -0.04  -0.01     0.01  -0.01  -0.00
   107   1     0.00  -0.00  -0.00     0.06  -0.04  -0.00     0.03  -0.02  -0.00
   108   1     0.00  -0.00  -0.00     0.03   0.01   0.01     0.02   0.01   0.00
   109   1     0.00  -0.00  -0.00     0.01   0.00   0.00     0.00   0.01   0.00
   110   1     0.01  -0.01  -0.00    -0.00   0.01   0.00     0.01  -0.01  -0.00
   111   1     0.04   0.00  -0.01    -0.01  -0.00   0.00     0.02   0.00  -0.00
   112   1     0.04   0.07   0.00    -0.01  -0.01  -0.00     0.02   0.02   0.00
   113   1    -0.01   0.04   0.01     0.00  -0.01  -0.00    -0.00   0.01   0.00
   114   1    -0.02  -0.00   0.01     0.01  -0.00  -0.00    -0.01  -0.00   0.00
   115   1    -0.06  -0.03   0.00     0.01   0.01  -0.00    -0.02  -0.01   0.00
   116   1    -0.00  -0.04  -0.01     0.00   0.01   0.00    -0.00  -0.02  -0.00
   117   1     0.03  -0.02  -0.01    -0.00   0.00   0.00     0.01  -0.01  -0.00
   118   1     0.00  -0.01  -0.00    -0.00  -0.01  -0.00     0.01   0.03   0.01
   119   1     0.02  -0.02  -0.00     0.02  -0.02  -0.00    -0.03   0.05   0.01
   120   1     0.06  -0.00   0.00     0.05  -0.00   0.00    -0.09   0.01  -0.01
   121   1     0.02   0.02   0.01     0.02   0.01   0.01    -0.03  -0.02  -0.01
   122   1    -0.01   0.01   0.00    -0.01   0.01   0.01     0.01  -0.01  -0.01
   123   1    -0.04   0.02   0.00    -0.04   0.02   0.00     0.07  -0.04  -0.00
   124   1    -0.03  -0.01  -0.01    -0.02  -0.01  -0.00     0.05   0.02   0.01
   125   1    -0.00  -0.03  -0.01    -0.00  -0.02  -0.01     0.01   0.04   0.01
   126  17     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
                    280                    281                    282
                      A                      A                      A
 Frequencies --   1462.0300              1465.3427              1476.2498
 Red. masses --      2.9152                 2.8848                 4.1742
 Frc consts  --      3.6714                 3.6496                 5.3597
 IR Inten    --    165.7332                81.4492               165.1086
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.00   0.00    -0.06   0.08  -0.01     0.04  -0.16   0.01
     2   6    -0.03  -0.04   0.00     0.06   0.05  -0.00    -0.06   0.06  -0.00
     3   6     0.03   0.01  -0.00    -0.03  -0.10   0.00     0.10   0.08  -0.00
     4   6     0.02  -0.03   0.00    -0.02   0.08  -0.00    -0.06  -0.07   0.00
     5   6    -0.03  -0.03   0.00     0.06   0.02  -0.00     0.01   0.06  -0.00
     6   6     0.02   0.03  -0.00    -0.06  -0.07   0.00    -0.00   0.02  -0.00
     7   6    -0.08   0.07  -0.00     0.02   0.01  -0.00     0.05  -0.03   0.00
     8   6     0.05  -0.08   0.00     0.01   0.03  -0.00    -0.09   0.01  -0.00
     9   6    -0.06  -0.04   0.00    -0.00  -0.07   0.00     0.09  -0.09   0.00
    10   6     0.02   0.05  -0.00    -0.03  -0.00   0.00    -0.06   0.10  -0.00
    11   6     0.08  -0.01  -0.00    -0.03   0.02  -0.00    -0.00  -0.06   0.00
    12   6     0.01  -0.08   0.01     0.03   0.00  -0.00    -0.01   0.12  -0.01
    13   6    -0.09   0.01  -0.00     0.02  -0.02   0.00    -0.01  -0.03   0.00
    14   6     0.03   0.04  -0.00    -0.05   0.02  -0.00     0.03  -0.01   0.00
    15   7     0.02  -0.02   0.00    -0.01  -0.02   0.00    -0.01  -0.01   0.00
    16   6    -0.02   0.05  -0.00    -0.01   0.02  -0.00    -0.05  -0.01   0.00
    17   6     0.10   0.05  -0.00     0.13   0.03  -0.00     0.19   0.06  -0.00
    18   7    -0.06  -0.04   0.00    -0.04  -0.03   0.00    -0.05  -0.06   0.00
    19   6    -0.07   0.00   0.00    -0.07   0.02  -0.00    -0.04   0.02  -0.00
    20   6     0.07  -0.03   0.00     0.08  -0.04   0.00     0.06   0.00  -0.00
    21   6     0.02   0.01  -0.00     0.00  -0.02   0.00    -0.06  -0.11   0.01
    22   6    -0.08  -0.01   0.00    -0.09   0.00  -0.00    -0.06   0.05  -0.00
    23   6    -0.02   0.01  -0.01     0.05  -0.06   0.05    -0.03   0.05  -0.03
    24   6     0.01   0.08  -0.05    -0.01  -0.01   0.01    -0.00  -0.05   0.03
    25   6    -0.00   0.00   0.00     0.01   0.02  -0.01     0.03   0.05  -0.03
    26   6    -0.11   0.02   0.01     0.01   0.00  -0.00     0.07  -0.02   0.00
    27   6     0.10  -0.05   0.02    -0.02   0.00  -0.00    -0.05   0.03  -0.01
    28   6     0.03   0.07  -0.05     0.00  -0.02   0.01    -0.02  -0.04   0.03
    29   6    -0.10   0.02   0.01     0.02   0.00  -0.01     0.05  -0.01  -0.00
    30   6     0.09  -0.04   0.01    -0.02   0.00   0.00    -0.05   0.02  -0.01
    31   6     0.02   0.01   0.00    -0.08  -0.07  -0.00     0.06   0.07  -0.01
    32   6    -0.02  -0.02   0.00     0.05   0.08  -0.02    -0.02  -0.06   0.02
    33   6    -0.01   0.02  -0.02     0.05  -0.05   0.05    -0.05   0.02  -0.04
    34   6     0.03   0.02   0.01    -0.08  -0.05  -0.01     0.04   0.04   0.00
    35   6    -0.02  -0.03   0.00     0.06   0.08  -0.01    -0.02  -0.05   0.01
    36   6    -0.01   0.00  -0.00     0.02  -0.01   0.00     0.07  -0.02  -0.00
    37   6     0.01  -0.01   0.00    -0.02  -0.00   0.01    -0.06  -0.00   0.02
    38   6     0.00   0.00  -0.00     0.01   0.02  -0.02     0.01   0.06  -0.04
    39   6    -0.01  -0.00   0.00     0.02  -0.01   0.01     0.05  -0.03   0.01
    40   6     0.01  -0.00  -0.00    -0.02   0.00   0.00    -0.06   0.01   0.01
    41   7     0.00  -0.01   0.00    -0.02   0.02  -0.00     0.01  -0.01   0.00
    42   7    -0.01  -0.03   0.00    -0.00   0.01  -0.00     0.00   0.01  -0.00
    43   7    -0.00   0.00  -0.00    -0.00  -0.01   0.00    -0.01  -0.01   0.00
    44   6    -0.01   0.01   0.00     0.00  -0.00  -0.00     0.02  -0.01  -0.00
    45   6    -0.00   0.02   0.00     0.00  -0.00  -0.00    -0.01  -0.01  -0.00
    46   6     0.02   0.01   0.00    -0.00  -0.00  -0.00    -0.02  -0.00  -0.00
    47   6     0.01  -0.00   0.00     0.00   0.00   0.00     0.01   0.01   0.00
    48   6     0.00   0.00  -0.00     0.01   0.01  -0.00     0.01  -0.00  -0.00
    49   6    -0.01  -0.00   0.00     0.02  -0.00  -0.00    -0.02  -0.01   0.00
    50   6    -0.00   0.00   0.00     0.00  -0.02  -0.00    -0.01   0.01   0.00
    51   6     0.00   0.01   0.00    -0.01  -0.01  -0.00     0.02   0.02   0.00
    52   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.01  -0.00
    53   6    -0.00   0.00  -0.00    -0.00   0.01   0.00    -0.01   0.02   0.00
    54   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.01   0.00
    55   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.02  -0.01   0.00
    56   6    -0.02  -0.01  -0.00     0.00   0.00   0.00     0.01  -0.00   0.00
    57   6    -0.00  -0.01  -0.00     0.00   0.00   0.00    -0.00   0.01   0.00
    58   6     0.03   0.00   0.00    -0.01  -0.00  -0.00    -0.02  -0.00  -0.00
    59   6    -0.01   0.01   0.00     0.00  -0.00  -0.00     0.01  -0.01  -0.00
    60   6     0.01  -0.01  -0.00    -0.00   0.00   0.00    -0.01   0.02   0.00
    61   6    -0.02   0.02   0.00     0.00  -0.00  -0.00     0.01  -0.01  -0.00
    62   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.01  -0.00
    63   6     0.01  -0.02  -0.01    -0.00   0.00   0.00    -0.00   0.02   0.01
    64   6     0.00  -0.01  -0.00    -0.00   0.02   0.00     0.01  -0.03  -0.01
    65   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.01   0.00
    66   6     0.00   0.01   0.00    -0.01  -0.02  -0.00     0.00   0.02   0.00
    67   6    -0.00  -0.01  -0.00     0.01   0.01  -0.00    -0.00  -0.02  -0.00
    68   6    -0.00   0.00   0.00    -0.01  -0.01   0.00    -0.00   0.01   0.00
    69   6    -0.01  -0.00   0.00     0.02   0.01  -0.00    -0.02  -0.01   0.00
    70   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.01  -0.01  -0.00
    71   6     0.00   0.00  -0.00    -0.02   0.00   0.00     0.01   0.01  -0.00
    72   6     0.00  -0.00  -0.00    -0.01  -0.00  -0.00    -0.02  -0.02  -0.01
    73   6     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
    74   6    -0.00   0.00  -0.00     0.01   0.00   0.00     0.02   0.01   0.00
    75   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.02  -0.01  -0.00
    76   6    -0.00   0.00   0.00     0.00  -0.00   0.00     0.01   0.00   0.00
    77   6    -0.00  -0.00  -0.00    -0.01   0.00   0.00    -0.02   0.02   0.00
    78   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.01  -0.01  -0.00
    79   6     0.00   0.00   0.00     0.00  -0.01  -0.00     0.01  -0.01  -0.00
    80   1     0.50   0.20  -0.01     0.46   0.27  -0.01     0.21   0.21  -0.01
    81   1     0.00   0.10   0.00    -0.02  -0.30   0.00    -0.11  -0.07  -0.00
    82   1    -0.00   0.10  -0.00     0.04  -0.10  -0.00    -0.06  -0.20   0.01
    83   1    -0.03   0.02  -0.00     0.26   0.00  -0.00    -0.24  -0.05   0.00
    84   1    -0.12   0.20   0.00     0.03  -0.05  -0.00    -0.04  -0.03   0.00
    85   1     0.29   0.11   0.00     0.01  -0.02   0.00    -0.06  -0.04  -0.00
    86   1    -0.00   0.09   0.00     0.06  -0.10   0.00    -0.13   0.14  -0.00
    87   1    -0.04   0.01  -0.00    -0.04   0.03   0.00    -0.00   0.03   0.00
    88   1    -0.04   0.09  -0.00    -0.09   0.15  -0.00    -0.08   0.17  -0.00
    89   1     0.19   0.04  -0.00     0.20   0.06   0.00     0.18   0.11  -0.00
    90   1     0.15  -0.21   0.12    -0.01   0.02  -0.02    -0.11   0.14  -0.08
    91   1    -0.18  -0.10   0.11     0.05   0.02  -0.02     0.06   0.05  -0.05
    92   1     0.14  -0.19   0.12    -0.00   0.02  -0.02    -0.07   0.10  -0.06
    93   1    -0.18  -0.09   0.10     0.06   0.02  -0.02     0.09   0.04  -0.06
    94   1    -0.00  -0.06   0.03     0.03   0.23  -0.12    -0.04  -0.22   0.10
    95   1     0.08   0.01   0.04    -0.19  -0.01  -0.11     0.07  -0.03   0.06
    96   1     0.01  -0.05   0.03     0.01   0.20  -0.12    -0.03  -0.16   0.08
    97   1     0.08   0.01   0.04    -0.21  -0.02  -0.11     0.10   0.01   0.07
    98   1     0.02   0.01  -0.01    -0.05  -0.02   0.03    -0.19  -0.06   0.09
    99   1    -0.01   0.01  -0.01     0.02  -0.04   0.03     0.03  -0.09   0.06
   100   1     0.03   0.01  -0.01    -0.04  -0.02   0.03    -0.12  -0.05   0.07
   101   1    -0.01   0.01  -0.01     0.03  -0.05   0.03     0.07  -0.10   0.07
   102   1     0.00   0.03   0.01    -0.00  -0.01  -0.00     0.01  -0.01  -0.00
   103   1    -0.04   0.05   0.01     0.01  -0.01  -0.00     0.04  -0.05  -0.01
   104   1    -0.09   0.01  -0.01     0.02  -0.00   0.00     0.08  -0.01   0.00
   105   1    -0.03  -0.02  -0.01     0.01   0.00   0.00     0.03   0.02   0.01
   106   1     0.01   0.01   0.00    -0.00  -0.00  -0.00    -0.01  -0.05  -0.01
   107   1     0.06  -0.03  -0.00    -0.01   0.00  -0.00    -0.02  -0.00  -0.00
   108   1     0.05   0.03   0.01    -0.01  -0.01  -0.00    -0.03  -0.03  -0.01
   109   1     0.01   0.05   0.01    -0.00  -0.01  -0.00     0.00  -0.07  -0.02
   110   1    -0.01   0.02   0.00     0.03  -0.03  -0.01    -0.04   0.07   0.02
   111   1    -0.02   0.00   0.00     0.06   0.00  -0.01    -0.05   0.01   0.01
   112   1    -0.01  -0.01   0.00     0.05   0.06   0.00    -0.02  -0.01   0.00
   113   1    -0.01   0.01   0.00     0.01   0.01   0.00    -0.04   0.04   0.02
   114   1     0.02  -0.00  -0.00    -0.01  -0.01   0.00     0.04  -0.01  -0.01
   115   1     0.03   0.02  -0.00    -0.06  -0.04   0.00     0.08   0.05  -0.01
   116   1     0.00   0.02   0.00    -0.00  -0.06  -0.01     0.01   0.07   0.01
   117   1    -0.00   0.01   0.00     0.03  -0.03  -0.01     0.00   0.02   0.00
   118   1     0.00   0.00   0.00     0.01   0.01   0.00     0.03   0.06   0.02
   119   1     0.00  -0.00  -0.00    -0.01   0.02   0.00    -0.02   0.05   0.01
   120   1     0.00  -0.00   0.00    -0.02   0.00  -0.00    -0.03   0.01   0.00
   121   1     0.00   0.00   0.00    -0.00   0.00   0.00     0.01   0.04   0.01
   122   1    -0.00  -0.00  -0.00     0.00  -0.01  -0.00     0.01  -0.03  -0.01
   123   1     0.00  -0.00  -0.00     0.02  -0.01  -0.00     0.08  -0.04  -0.00
   124   1    -0.00  -0.00  -0.00     0.02   0.01   0.00     0.07   0.03   0.01
   125   1     0.00  -0.00  -0.00     0.00   0.01   0.00     0.01   0.02   0.01
   126  17    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
                    283                    284                    285
                      A                      A                      A
 Frequencies --   1487.2673              1487.5293              1488.1716
 Red. masses --      2.8055                 2.7927                 2.8284
 Frc consts  --      3.6562                 3.6408                 3.6906
 IR Inten    --    442.5377               296.2735               284.1085
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00    -0.00   0.01  -0.00     0.00   0.02  -0.00
     2   6    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.01  -0.01  -0.00
     3   6    -0.00  -0.00   0.00    -0.01  -0.00   0.00    -0.01  -0.00   0.00
     4   6     0.02   0.01  -0.00     0.00   0.00  -0.00    -0.01  -0.00   0.00
     5   6    -0.01  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.01   0.00
     6   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
     7   6    -0.02   0.00  -0.00    -0.00  -0.00  -0.00     0.01   0.01   0.00
     8   6     0.01  -0.00   0.00     0.01   0.00  -0.00     0.01  -0.00  -0.00
     9   6     0.01   0.02  -0.00    -0.01   0.01  -0.00    -0.03  -0.01   0.00
    10   6    -0.03  -0.02   0.00     0.01  -0.01   0.00     0.03   0.00  -0.00
    11   6     0.00   0.01  -0.00    -0.00   0.00  -0.00     0.00  -0.01   0.00
    12   6     0.01  -0.03   0.00    -0.00  -0.01   0.00     0.00   0.01  -0.00
    13   6    -0.00   0.01  -0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
    14   6     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    15   7     0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    16   6    -0.01  -0.00   0.00     0.00  -0.00   0.00     0.01   0.00  -0.00
    17   6     0.01  -0.01   0.00    -0.01  -0.00  -0.00    -0.03   0.01  -0.00
    18   7     0.01   0.00  -0.00    -0.00   0.01  -0.00    -0.01   0.00  -0.00
    19   6    -0.00  -0.00  -0.00     0.01  -0.00   0.00     0.01  -0.00   0.00
    20   6     0.00   0.00  -0.00    -0.01   0.00   0.00    -0.01  -0.01   0.00
    21   6    -0.01  -0.01   0.00     0.01   0.00  -0.00     0.02   0.03  -0.00
    22   6    -0.00   0.01  -0.00     0.01  -0.00  -0.00     0.01  -0.02   0.00
    23   6     0.01   0.01   0.00    -0.01  -0.01   0.00    -0.01  -0.01   0.00
    24   6    -0.01   0.01  -0.00     0.00  -0.00  -0.00    -0.02   0.00   0.00
    25   6    -0.01   0.01  -0.00    -0.02   0.00   0.00     0.00  -0.01   0.00
    26   6    -0.01  -0.01   0.01    -0.00   0.00  -0.00     0.01  -0.01   0.01
    27   6     0.02  -0.00  -0.00    -0.00  -0.00   0.00     0.01   0.01  -0.00
    28   6     0.02   0.00  -0.01    -0.01   0.00  -0.00     0.02  -0.01   0.00
    29   6    -0.00  -0.01   0.00    -0.00   0.00  -0.00     0.01  -0.01   0.00
    30   6     0.02   0.00  -0.01    -0.00  -0.00   0.00     0.01   0.01  -0.01
    31   6    -0.00  -0.01   0.01    -0.00   0.00  -0.00    -0.00   0.01  -0.01
    32   6    -0.01  -0.00  -0.00     0.01   0.00   0.00     0.01   0.01   0.00
    33   6    -0.01  -0.01   0.00     0.01   0.01   0.00     0.02   0.01   0.00
    34   6    -0.00  -0.01   0.00    -0.00   0.01  -0.00     0.00   0.01  -0.00
    35   6    -0.01   0.00  -0.01     0.01   0.00   0.00     0.01   0.00   0.01
    36   6     0.01   0.00  -0.00     0.01   0.01  -0.01    -0.02   0.00   0.00
    37   6    -0.00  -0.01   0.00     0.01  -0.01   0.00     0.01   0.01  -0.01
    38   6     0.01   0.00  -0.00     0.02  -0.01   0.00    -0.01  -0.01   0.01
    39   6     0.01  -0.00  -0.00     0.01   0.01  -0.01    -0.01   0.00  -0.00
    40   6    -0.00  -0.01   0.00     0.01  -0.01   0.01     0.01   0.00  -0.00
    41   7     0.04   0.04  -0.00    -0.04  -0.04   0.00    -0.06  -0.06   0.00
    42   7    -0.08   0.02  -0.00     0.03  -0.01   0.00    -0.08   0.02  -0.00
    43   7    -0.05   0.02  -0.00    -0.10   0.03  -0.00     0.02  -0.01  -0.00
    44   6     0.08  -0.08  -0.02    -0.03   0.02   0.00     0.08  -0.07  -0.01
    45   6    -0.06   0.02   0.00     0.02  -0.00   0.00    -0.06   0.01  -0.00
    46   6    -0.06   0.02   0.00     0.02  -0.01   0.00    -0.05   0.02  -0.00
    47   6     0.11   0.02   0.02    -0.03  -0.01  -0.01     0.10   0.03   0.02
    48   6    -0.07  -0.02   0.01     0.07   0.02  -0.01     0.10   0.03  -0.02
    49   6     0.03   0.03  -0.00    -0.03  -0.03   0.00    -0.04  -0.04   0.00
    50   6     0.03   0.03  -0.00    -0.03  -0.03   0.00    -0.04  -0.04   0.00
    51   6    -0.02  -0.07  -0.01     0.02   0.07   0.01     0.03   0.10   0.01
    52   6     0.05  -0.05  -0.01     0.09  -0.09  -0.02    -0.02   0.03   0.01
    53   6    -0.04   0.01   0.00    -0.07   0.02  -0.00     0.02  -0.01  -0.00
    54   6    -0.04   0.02   0.00    -0.07   0.02  -0.00     0.02  -0.01  -0.00
    55   6     0.07   0.01   0.01     0.13   0.03   0.02    -0.04  -0.00  -0.00
    56   6    -0.01  -0.08  -0.02     0.00   0.02   0.01    -0.00  -0.07  -0.02
    57   6     0.01   0.08   0.02    -0.00  -0.03  -0.01     0.01   0.07   0.02
    58   6    -0.04   0.00  -0.00     0.01  -0.00   0.00    -0.04   0.00  -0.00
    59   6    -0.04  -0.06  -0.02     0.01   0.02   0.01    -0.03  -0.06  -0.02
    60   6     0.01   0.07   0.02    -0.00  -0.02  -0.01     0.00   0.07   0.02
    61   6    -0.04   0.02   0.00     0.01  -0.01  -0.00    -0.03   0.02   0.00
    62   6    -0.03  -0.07  -0.02     0.01   0.02   0.01    -0.03  -0.07  -0.02
    63   6     0.04   0.06   0.02    -0.01  -0.02  -0.01     0.03   0.06   0.02
    64   6    -0.04   0.03   0.01     0.04  -0.03  -0.01     0.06  -0.04  -0.02
    65   6     0.04  -0.03  -0.02    -0.04   0.03   0.02    -0.06   0.05   0.02
    66   6     0.02   0.02   0.00    -0.02  -0.02  -0.00    -0.02  -0.04  -0.00
    67   6    -0.03   0.04   0.01     0.03  -0.04  -0.01     0.04  -0.05  -0.02
    68   6     0.04  -0.03  -0.01    -0.04   0.03   0.01    -0.06   0.04   0.02
    69   6     0.02   0.02  -0.00    -0.02  -0.01   0.00    -0.03  -0.02   0.00
    70   6    -0.03   0.04   0.02     0.03  -0.04  -0.01     0.05  -0.06  -0.02
    71   6     0.03  -0.05  -0.01    -0.03   0.04   0.01    -0.04   0.06   0.02
    72   6    -0.01  -0.05  -0.01    -0.00  -0.09  -0.02     0.01   0.03   0.01
    73   6     0.01   0.05   0.01     0.02   0.09   0.03    -0.01  -0.02  -0.01
    74   6    -0.02   0.00  -0.00    -0.05   0.00  -0.00     0.01  -0.00  -0.00
    75   6    -0.02  -0.04  -0.01    -0.04  -0.07  -0.02     0.02   0.02   0.01
    76   6     0.01   0.04   0.01     0.01   0.08   0.02    -0.01  -0.02  -0.01
    77   6    -0.03   0.02   0.00    -0.04   0.02   0.00     0.01  -0.01  -0.00
    78   6    -0.02  -0.05  -0.01    -0.04  -0.08  -0.03     0.01   0.02   0.01
    79   6     0.03   0.04   0.01     0.04   0.08   0.02    -0.01  -0.01  -0.00
    80   1    -0.07  -0.04   0.00    -0.02  -0.02   0.00     0.08   0.03  -0.00
    81   1     0.00   0.01  -0.00     0.01   0.00   0.00     0.01   0.02   0.00
    82   1     0.00   0.02  -0.00     0.00   0.00  -0.00     0.00   0.01  -0.00
    83   1    -0.01  -0.00   0.00     0.01   0.00  -0.00     0.02   0.01  -0.00
    84   1     0.02  -0.00  -0.00     0.01  -0.01   0.00    -0.01   0.01  -0.00
    85   1     0.03   0.02   0.00    -0.00  -0.00  -0.00    -0.01  -0.00   0.00
    86   1     0.01  -0.01   0.00     0.01  -0.02   0.00    -0.03   0.03  -0.00
    87   1     0.02   0.01   0.00    -0.00  -0.00  -0.00    -0.03  -0.01  -0.00
    88   1     0.00   0.01  -0.00     0.01  -0.02  -0.00     0.00  -0.03   0.00
    89   1    -0.00   0.01   0.00    -0.01  -0.01   0.00    -0.01  -0.02   0.00
    90   1    -0.02   0.00  -0.00     0.02  -0.01   0.01    -0.05   0.03  -0.02
    91   1    -0.04  -0.01   0.02     0.01   0.00  -0.00    -0.04  -0.00   0.01
    92   1    -0.02   0.01   0.00     0.01  -0.01   0.00    -0.03   0.03  -0.01
    93   1    -0.07  -0.01   0.02     0.01  -0.00  -0.00    -0.04   0.00   0.01
    94   1     0.02   0.04  -0.01    -0.01  -0.02   0.00    -0.02  -0.03   0.01
    95   1     0.02   0.01   0.01    -0.02  -0.01  -0.01    -0.04  -0.01  -0.01
    96   1     0.01   0.03  -0.01    -0.01  -0.01   0.00    -0.01  -0.03   0.01
    97   1     0.03   0.02   0.01    -0.03  -0.02  -0.01    -0.05  -0.03  -0.02
    98   1    -0.05  -0.00   0.02    -0.05   0.00   0.01     0.06   0.01  -0.02
    99   1    -0.02   0.01  -0.00    -0.03   0.03  -0.01     0.01   0.00  -0.01
   100   1    -0.03  -0.01   0.01    -0.04  -0.00   0.01     0.03   0.01  -0.02
   101   1    -0.02   0.01  -0.00    -0.05   0.04  -0.02    -0.00   0.01  -0.01
   102   1     0.14   0.15   0.05    -0.04  -0.04  -0.02     0.13   0.13   0.05
   103   1     0.11  -0.07  -0.01    -0.04   0.03   0.01     0.11  -0.09  -0.01
   104   1     0.24  -0.00   0.02    -0.08   0.00  -0.01     0.23  -0.01   0.02
   105   1     0.16   0.23   0.09    -0.05  -0.07  -0.03     0.15   0.21   0.08
   106   1     0.03  -0.27  -0.08    -0.01   0.09   0.03     0.02  -0.26  -0.08
   107   1     0.23  -0.12  -0.01    -0.07   0.04   0.00     0.21  -0.11  -0.01
   108   1     0.16   0.02   0.02    -0.04  -0.00  -0.01     0.13   0.01   0.02
   109   1     0.05  -0.18  -0.04    -0.02   0.06   0.02     0.05  -0.18  -0.05
   110   1     0.04  -0.14  -0.03    -0.03   0.13   0.03    -0.05   0.18   0.04
   111   1    -0.09  -0.04   0.01     0.10   0.04  -0.01     0.14   0.06  -0.02
   112   1    -0.09  -0.15  -0.01     0.09   0.15   0.01     0.13   0.21   0.01
   113   1     0.08  -0.18  -0.05    -0.08   0.17   0.05    -0.11   0.24   0.07
   114   1    -0.18   0.08   0.06     0.17  -0.08  -0.06     0.24  -0.11  -0.08
   115   1    -0.15  -0.09   0.01     0.14   0.08  -0.01     0.20   0.12  -0.02
   116   1    -0.04  -0.09  -0.01     0.04   0.08   0.01     0.06   0.12   0.01
   117   1    -0.13   0.04   0.03     0.13  -0.04  -0.03     0.19  -0.06  -0.05
   118   1     0.10   0.10   0.03     0.17   0.16   0.06    -0.05  -0.06  -0.02
   119   1     0.07  -0.05  -0.01     0.14  -0.11  -0.02    -0.02   0.01  -0.00
   120   1     0.16  -0.01   0.01     0.30  -0.02   0.02    -0.06  -0.00  -0.01
   121   1     0.11   0.15   0.06     0.20   0.26   0.09    -0.05  -0.08  -0.03
   122   1     0.01  -0.18  -0.05     0.02  -0.33  -0.09    -0.01   0.07   0.02
   123   1     0.15  -0.09  -0.01     0.25  -0.15  -0.02    -0.08   0.04   0.00
   124   1     0.10   0.01   0.01     0.17   0.01   0.02    -0.07  -0.02  -0.01
   125   1     0.03  -0.12  -0.03     0.05  -0.23  -0.06    -0.02   0.04   0.01
   126  17     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
                    286                    287                    288
                      A                      A                      A
 Frequencies --   1492.6614              1497.3803              1497.5576
 Red. masses --      3.1208                 2.3296                 2.3363
 Frc consts  --      4.0968                 3.0775                 3.0871
 IR Inten    --     75.2075                25.7617                 5.1792
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.01   0.00     0.00  -0.00   0.00    -0.00   0.02  -0.00
     2   6     0.00  -0.01  -0.00    -0.00  -0.00  -0.00     0.01  -0.01   0.00
     3   6    -0.01   0.02  -0.00    -0.00   0.01  -0.00    -0.01  -0.01   0.00
     4   6    -0.07  -0.02   0.00     0.00  -0.01   0.00     0.01   0.01  -0.00
     5   6     0.01  -0.03   0.00    -0.00   0.00  -0.00    -0.00  -0.01   0.00
     6   6    -0.01   0.02  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     7   6     0.07   0.01   0.00    -0.00   0.00  -0.00    -0.01   0.00  -0.00
     8   6    -0.01  -0.01  -0.00    -0.00  -0.01   0.00     0.01  -0.00   0.00
     9   6    -0.08  -0.10   0.00    -0.00   0.00  -0.00    -0.01   0.01  -0.00
    10   6     0.17   0.08  -0.00     0.00   0.00  -0.00     0.00  -0.01   0.00
    11   6    -0.01  -0.08   0.00     0.00  -0.00  -0.00     0.00   0.01  -0.00
    12   6    -0.00   0.12  -0.01    -0.00  -0.00   0.00     0.00  -0.01   0.00
    13   6    -0.01  -0.02   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    14   6     0.01  -0.01   0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    15   7    -0.01  -0.01   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    16   6     0.05   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    17   6    -0.09   0.07  -0.00    -0.00  -0.00   0.00    -0.01  -0.00   0.00
    18   7    -0.08  -0.01   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    19   6     0.04   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    20   6    -0.03  -0.04   0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
    21   6     0.07   0.11  -0.01     0.00  -0.00  -0.00     0.00   0.00  -0.00
    22   6     0.01  -0.07   0.00     0.00   0.00   0.00     0.00  -0.00   0.00
    23   6     0.00   0.01  -0.00    -0.01   0.01  -0.01     0.01  -0.01   0.01
    24   6    -0.00  -0.03   0.01     0.00   0.01  -0.01     0.00   0.02  -0.01
    25   6    -0.02  -0.03   0.01    -0.00  -0.01   0.00    -0.00  -0.01   0.01
    26   6     0.04  -0.02   0.01    -0.01  -0.00   0.00    -0.01  -0.00   0.00
    27   6    -0.01   0.02  -0.01     0.01  -0.00  -0.00     0.01  -0.00  -0.00
    28   6    -0.02  -0.03   0.02     0.00   0.01  -0.00     0.00   0.01  -0.00
    29   6     0.02   0.00  -0.01    -0.01   0.00  -0.00    -0.01   0.01  -0.00
    30   6    -0.03   0.01  -0.00     0.00  -0.01   0.00     0.01  -0.01   0.00
    31   6     0.00  -0.00   0.00     0.01   0.00   0.01    -0.01  -0.00  -0.00
    32   6    -0.01  -0.00  -0.00    -0.01  -0.01  -0.00     0.01   0.01  -0.00
    33   6    -0.01  -0.00  -0.00    -0.01   0.01  -0.00     0.01  -0.00   0.00
    34   6     0.00  -0.01   0.00     0.01   0.01  -0.00    -0.01  -0.01   0.00
    35   6    -0.01  -0.00  -0.00    -0.00  -0.01   0.01    -0.00   0.01  -0.00
    36   6    -0.05   0.01   0.00    -0.00   0.00  -0.00    -0.00   0.01  -0.00
    37   6     0.03   0.01  -0.02     0.01  -0.00   0.00     0.01  -0.00   0.00
    38   6    -0.00  -0.04   0.03    -0.00  -0.00  -0.00    -0.00  -0.01   0.00
    39   6    -0.02   0.02  -0.01    -0.01   0.00   0.00    -0.01   0.00   0.00
    40   6     0.04  -0.01   0.00     0.00   0.00  -0.00     0.01   0.00  -0.00
    41   7     0.02   0.02  -0.00     0.01  -0.01  -0.00    -0.01   0.00   0.00
    42   7     0.01   0.00  -0.00    -0.00  -0.01  -0.00    -0.00  -0.01  -0.00
    43   7    -0.02   0.01  -0.00     0.00   0.00   0.00     0.00   0.01   0.00
    44   6     0.03   0.00   0.00     0.05  -0.01   0.00     0.06  -0.01   0.00
    45   6    -0.01  -0.02  -0.01    -0.03  -0.03  -0.01    -0.03  -0.04  -0.01
    46   6    -0.00  -0.02  -0.01     0.01  -0.04  -0.01     0.01  -0.05  -0.01
    47   6    -0.02   0.02   0.00    -0.04   0.02   0.00    -0.05   0.02   0.00
    48   6    -0.03  -0.01   0.00     0.04   0.06   0.00    -0.03  -0.04  -0.00
    49   6     0.01   0.01   0.00     0.02  -0.06  -0.02    -0.02   0.04   0.01
    50   6     0.01   0.01   0.00     0.06  -0.02  -0.02    -0.04   0.02   0.01
    51   6    -0.01  -0.03  -0.00    -0.06  -0.04   0.00     0.04   0.03  -0.00
    52   6     0.05  -0.01   0.00    -0.03   0.00  -0.00    -0.04   0.01  -0.00
    53   6    -0.02  -0.03  -0.01     0.02   0.02   0.01     0.03   0.03   0.01
    54   6    -0.02  -0.03  -0.01    -0.00   0.03   0.01    -0.01   0.04   0.01
    55   6    -0.01   0.03   0.01     0.03  -0.01  -0.00     0.04  -0.02  -0.00
    56   6     0.03   0.02   0.01     0.04   0.04   0.02     0.05   0.06   0.02
    57   6    -0.02   0.01   0.00    -0.03   0.02   0.00    -0.04   0.02   0.00
    58   6    -0.02  -0.02  -0.01    -0.02  -0.03  -0.01    -0.02  -0.04  -0.01
    59   6     0.03   0.02   0.01     0.05   0.04   0.02     0.06   0.05   0.02
    60   6    -0.02   0.03   0.01    -0.02   0.06   0.01    -0.03   0.08   0.02
    61   6     0.01  -0.03  -0.01    -0.00  -0.04  -0.01    -0.00  -0.05  -0.01
    62   6     0.02   0.00   0.00     0.03  -0.00   0.00     0.05  -0.00   0.00
    63   6    -0.01   0.04   0.01    -0.01   0.06   0.02    -0.02   0.08   0.02
    64   6    -0.02   0.01   0.01    -0.03   0.10   0.02     0.02  -0.07  -0.02
    65   6     0.02  -0.01  -0.01    -0.05  -0.03   0.01     0.03   0.02  -0.00
    66   6     0.01   0.01   0.00     0.03  -0.05  -0.02    -0.02   0.04   0.01
    67   6    -0.01   0.01   0.00    -0.02   0.10   0.02     0.01  -0.07  -0.02
    68   6     0.02  -0.01  -0.01    -0.10   0.02   0.02     0.07  -0.01  -0.02
    69   6     0.01   0.01  -0.00     0.05  -0.03  -0.02    -0.04   0.02   0.01
    70   6    -0.01   0.02   0.01     0.03   0.05   0.00    -0.02  -0.04  -0.00
    71   6     0.01  -0.02  -0.01    -0.09   0.03   0.03     0.07  -0.02  -0.02
    72   6     0.04   0.02   0.01    -0.03  -0.03  -0.01    -0.04  -0.04  -0.01
    73   6    -0.02   0.03   0.01     0.02  -0.01  -0.00     0.03  -0.02  -0.00
    74   6    -0.04  -0.02  -0.01     0.01   0.02   0.01     0.02   0.03   0.01
    75   6     0.03   0.01   0.01    -0.03  -0.02  -0.01    -0.05  -0.04  -0.01
    76   6    -0.02   0.05   0.01     0.01  -0.04  -0.01     0.02  -0.06  -0.01
    77   6     0.01  -0.03  -0.01     0.00   0.02   0.01     0.00   0.04   0.01
    78   6     0.02  -0.01  -0.00    -0.02   0.00  -0.00    -0.03   0.00  -0.00
    79   6    -0.01   0.06   0.01     0.01  -0.04  -0.01     0.01  -0.06  -0.01
    80   1     0.55   0.27  -0.01    -0.02  -0.01   0.00    -0.02  -0.02   0.00
    81   1     0.02   0.07  -0.00     0.00   0.02   0.00     0.01   0.01  -0.00
    82   1     0.02   0.01  -0.00    -0.01   0.00   0.00     0.01   0.03  -0.00
    83   1     0.06   0.04  -0.00    -0.02  -0.00   0.00     0.03   0.01  -0.00
    84   1    -0.12   0.03   0.00    -0.01   0.01   0.00     0.01   0.00   0.00
    85   1    -0.08  -0.04   0.00     0.01   0.01   0.00     0.02   0.01   0.00
    86   1    -0.14   0.13  -0.00    -0.00   0.01   0.00     0.03  -0.02   0.00
    87   1    -0.18  -0.05  -0.00     0.01  -0.00  -0.00     0.01  -0.00  -0.00
    88   1    -0.02  -0.07   0.00     0.01  -0.01  -0.00     0.01  -0.01  -0.00
    89   1     0.02  -0.09   0.00    -0.00  -0.00  -0.00    -0.01  -0.00  -0.00
    90   1    -0.08   0.08  -0.05    -0.00  -0.01   0.01     0.00  -0.02   0.01
    91   1    -0.00   0.03  -0.02    -0.03  -0.01   0.01    -0.03  -0.01   0.02
    92   1    -0.03   0.05  -0.03     0.02  -0.02   0.01     0.03  -0.03   0.02
    93   1     0.06   0.02  -0.04    -0.00  -0.01   0.01    -0.01  -0.01   0.01
    94   1     0.01   0.00   0.00     0.01  -0.01   0.01    -0.00   0.02  -0.01
    95   1     0.02   0.01   0.01     0.04   0.01   0.02    -0.03  -0.01  -0.02
    96   1     0.01   0.02  -0.00    -0.01  -0.04   0.02     0.01   0.04  -0.02
    97   1     0.02   0.01   0.01     0.01  -0.01   0.01    -0.01   0.01  -0.01
    98   1     0.13   0.03  -0.06     0.00   0.00  -0.00     0.01   0.01  -0.01
    99   1     0.01   0.04  -0.03    -0.01   0.01  -0.01    -0.02   0.02  -0.01
   100   1     0.04   0.03  -0.03     0.02   0.00  -0.01     0.03   0.00  -0.01
   101   1    -0.07   0.07  -0.05     0.00   0.00  -0.00     0.00   0.01  -0.01
   102   1    -0.05  -0.10  -0.03    -0.09  -0.17  -0.05    -0.11  -0.22  -0.07
   103   1     0.05  -0.11  -0.03     0.07  -0.15  -0.04     0.09  -0.21  -0.05
   104   1     0.04  -0.03  -0.00     0.00  -0.04  -0.01     0.00  -0.05  -0.02
   105   1    -0.03  -0.08  -0.03    -0.08  -0.16  -0.05    -0.10  -0.21  -0.07
   106   1    -0.01  -0.09  -0.03    -0.01  -0.18  -0.05    -0.01  -0.24  -0.07
   107   1    -0.05  -0.00  -0.01    -0.02  -0.04  -0.01    -0.02  -0.05  -0.02
   108   1    -0.10  -0.07  -0.03    -0.13  -0.10  -0.04    -0.18  -0.13  -0.05
   109   1    -0.01  -0.11  -0.03    -0.01  -0.19  -0.05    -0.01  -0.25  -0.07
   110   1     0.01  -0.04  -0.01     0.17  -0.27  -0.08    -0.12   0.19   0.06
   111   1    -0.05  -0.02   0.01     0.28  -0.03  -0.06    -0.19   0.03   0.05
   112   1    -0.04  -0.06  -0.00     0.06  -0.03  -0.02    -0.04   0.03   0.01
   113   1     0.02  -0.06  -0.02     0.16  -0.25  -0.09    -0.12   0.18   0.06
   114   1    -0.07   0.04   0.02     0.24  -0.17  -0.09    -0.17   0.12   0.06
   115   1    -0.06  -0.03   0.01     0.03  -0.06  -0.02    -0.02   0.04   0.01
   116   1    -0.02  -0.03  -0.00     0.03  -0.28  -0.06    -0.02   0.20   0.04
   117   1    -0.06   0.02   0.02     0.26  -0.17  -0.08    -0.19   0.12   0.06
   118   1    -0.04  -0.10  -0.03     0.06   0.11   0.03     0.09   0.16   0.05
   119   1     0.08  -0.15  -0.03    -0.04   0.10   0.02    -0.06   0.16   0.04
   120   1     0.09  -0.04  -0.00    -0.00   0.03   0.01     0.00   0.04   0.01
   121   1    -0.01  -0.07  -0.02     0.05   0.10   0.03     0.08   0.16   0.05
   122   1    -0.02  -0.15  -0.04     0.01   0.11   0.03     0.02   0.18   0.05
   123   1    -0.02  -0.02  -0.01     0.02   0.02   0.01     0.02   0.03   0.01
   124   1    -0.10  -0.07  -0.03     0.09   0.06   0.02     0.14   0.10   0.04
   125   1    -0.01  -0.16  -0.04     0.01   0.12   0.03     0.01   0.19   0.05
   126  17    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
                    289                    290                    291
                      A                      A                      A
 Frequencies --   1498.2919              1519.1432              1519.6197
 Red. masses --      2.4648                 2.7408                 2.9426
 Frc consts  --      3.2601                 3.7266                 4.0036
 IR Inten    --    130.3769                17.6182                 7.3512
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00    -0.01   0.01   0.00     0.01   0.01  -0.00
     2   6    -0.00   0.00   0.00     0.01   0.00  -0.00    -0.00  -0.01   0.00
     3   6     0.01  -0.00   0.00     0.00  -0.03   0.00    -0.01   0.01   0.00
     4   6     0.03   0.01  -0.00    -0.01   0.00   0.00     0.01   0.01  -0.00
     5   6    -0.00   0.01  -0.00     0.01   0.02  -0.00    -0.00  -0.02   0.00
     6   6     0.00  -0.00   0.00    -0.01  -0.01   0.00    -0.01   0.00   0.00
     7   6    -0.03  -0.00  -0.00     0.02   0.05  -0.00    -0.00  -0.01  -0.00
     8   6     0.01  -0.00   0.00    -0.02  -0.02   0.00     0.01   0.00   0.00
     9   6     0.03   0.04  -0.00    -0.05  -0.02   0.00     0.00   0.00  -0.00
    10   6    -0.07  -0.03   0.00     0.00   0.01  -0.00    -0.00  -0.01   0.00
    11   6     0.00   0.03  -0.00     0.02  -0.04   0.00    -0.00   0.01  -0.00
    12   6     0.00  -0.05   0.00    -0.02   0.02  -0.00     0.00  -0.01   0.00
    13   6    -0.00   0.01  -0.00    -0.02   0.02  -0.00     0.00  -0.01  -0.00
    14   6    -0.01   0.01  -0.00     0.04  -0.03   0.00    -0.01   0.01  -0.00
    15   7     0.00   0.00  -0.00     0.01   0.03  -0.00    -0.00  -0.00   0.00
    16   6    -0.02  -0.01   0.00     0.09   0.01  -0.00    -0.01   0.00  -0.00
    17   6     0.04  -0.02   0.00    -0.02   0.01  -0.00     0.00  -0.00   0.00
    18   7     0.03   0.00  -0.00     0.02  -0.01   0.00    -0.01   0.00  -0.00
    19   6    -0.01   0.00  -0.00    -0.09  -0.05   0.00     0.01   0.00  -0.00
    20   6     0.02   0.01  -0.00    -0.03   0.08  -0.00     0.00  -0.00   0.00
    21   6    -0.03  -0.04   0.01     0.06  -0.04   0.00    -0.01   0.00  -0.00
    22   6    -0.01   0.03  -0.00    -0.04  -0.01   0.00     0.01   0.00   0.00
    23   6    -0.00  -0.00   0.00    -0.00   0.00  -0.01     0.01  -0.01   0.01
    24   6     0.00   0.02  -0.01    -0.00   0.00   0.00     0.01   0.02  -0.01
    25   6     0.01   0.03  -0.02    -0.00  -0.01   0.01    -0.00  -0.01   0.00
    26   6    -0.02   0.00   0.00     0.01  -0.01   0.00    -0.01  -0.01   0.01
    27   6     0.02  -0.01   0.00     0.00   0.00  -0.00     0.02  -0.00  -0.00
    28   6     0.01   0.02  -0.01    -0.01   0.00  -0.00     0.01   0.01   0.00
    29   6    -0.02   0.00  -0.00     0.00  -0.01   0.00    -0.02   0.01  -0.01
    30   6     0.01  -0.01   0.00     0.01   0.00  -0.00     0.00  -0.01   0.01
    31   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.01  -0.00  -0.00
    32   6     0.00   0.00   0.00    -0.01  -0.00  -0.00     0.01   0.01   0.00
    33   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.01   0.00  -0.00
    34   6    -0.00   0.00  -0.00     0.00   0.01  -0.00    -0.00  -0.01   0.01
    35   6     0.00   0.00   0.00     0.00  -0.00   0.00    -0.01   0.01  -0.01
    36   6     0.02  -0.01   0.00    -0.02   0.00   0.00     0.00   0.00  -0.00
    37   6    -0.03   0.00   0.00     0.00   0.01  -0.01     0.01  -0.01   0.00
    38   6     0.00   0.03  -0.01     0.03  -0.01  -0.01    -0.00  -0.00  -0.00
    39   6     0.02  -0.01   0.00    -0.03  -0.01   0.02    -0.01   0.00   0.00
    40   6    -0.02  -0.00   0.01    -0.02   0.03  -0.02     0.01   0.00  -0.00
    41   7    -0.00  -0.00   0.00     0.02  -0.02  -0.01    -0.03   0.03   0.01
    42   7    -0.00  -0.01  -0.00     0.00  -0.00  -0.00    -0.02  -0.07  -0.02
    43   7     0.00  -0.02  -0.00     0.00   0.05   0.01     0.01   0.02   0.00
    44   6     0.05  -0.01   0.00     0.00   0.01   0.00    -0.00   0.11   0.03
    45   6    -0.03  -0.03  -0.01     0.00  -0.01  -0.00     0.10  -0.05  -0.01
    46   6     0.01  -0.04  -0.01    -0.00   0.00   0.00    -0.11  -0.00  -0.01
    47   6    -0.05   0.02   0.00     0.00   0.00   0.00     0.06   0.10   0.03
    48   6     0.00  -0.00  -0.00    -0.04   0.02   0.01     0.06  -0.03  -0.02
    49   6    -0.00   0.00   0.00     0.04   0.02  -0.00    -0.05  -0.03   0.01
    50   6    -0.00  -0.00   0.00    -0.02  -0.04  -0.00     0.03   0.05   0.00
    51   6     0.00   0.01   0.00    -0.02   0.04   0.01     0.03  -0.05  -0.02
    52   6     0.07  -0.01   0.00    -0.00  -0.09  -0.03    -0.00  -0.04  -0.01
    53   6    -0.04  -0.05  -0.02    -0.07   0.05   0.01    -0.03   0.02   0.00
    54   6     0.01  -0.06  -0.01     0.09  -0.01   0.00     0.04  -0.00   0.00
    55   6    -0.07   0.03   0.00    -0.05  -0.07  -0.02    -0.02  -0.03  -0.01
    56   6     0.04   0.05   0.02     0.00  -0.00  -0.00     0.04  -0.06  -0.01
    57   6    -0.03   0.02   0.00     0.00   0.00   0.00     0.01   0.10   0.03
    58   6    -0.02  -0.04  -0.01    -0.00   0.00  -0.00    -0.11  -0.02  -0.01
    59   6     0.05   0.05   0.02    -0.00  -0.00  -0.00     0.03  -0.07  -0.02
    60   6    -0.02   0.06   0.02    -0.00  -0.00  -0.00    -0.06  -0.04  -0.02
    61   6    -0.01  -0.04  -0.01     0.00  -0.00  -0.00     0.08  -0.06  -0.01
    62   6     0.04  -0.00   0.00     0.00   0.00   0.00     0.04   0.08   0.03
    63   6    -0.01   0.06   0.02    -0.00  -0.00  -0.00    -0.06  -0.04  -0.02
    64   6     0.00  -0.00  -0.00     0.03  -0.00  -0.01    -0.04   0.00   0.01
    65   6    -0.00   0.00   0.00    -0.03   0.02   0.01     0.04  -0.03  -0.01
    66   6    -0.00  -0.00   0.00    -0.02  -0.04  -0.00     0.02   0.05   0.00
    67   6     0.00  -0.01  -0.00     0.03  -0.01  -0.01    -0.04   0.01   0.01
    68   6     0.00   0.00  -0.00     0.00  -0.03  -0.01    -0.00   0.04   0.01
    69   6    -0.00   0.00   0.00     0.04   0.02  -0.01    -0.06  -0.02   0.01
    70   6     0.00  -0.00  -0.00    -0.02   0.03   0.01     0.03  -0.05  -0.02
    71   6     0.00   0.00   0.00     0.00  -0.03  -0.01    -0.00   0.04   0.01
    72   6     0.06   0.07   0.02    -0.02   0.05   0.01    -0.01   0.02   0.00
    73   6    -0.05   0.02   0.00    -0.01  -0.07  -0.02    -0.00  -0.03  -0.01
    74   6    -0.02  -0.05  -0.02     0.08   0.00   0.01     0.04   0.00   0.00
    75   6     0.07   0.06   0.02    -0.01   0.06   0.01    -0.01   0.02   0.01
    76   6    -0.03   0.09   0.02     0.05   0.03   0.01     0.02   0.01   0.01
    77   6    -0.01  -0.06  -0.02    -0.07   0.06   0.01    -0.03   0.02   0.00
    78   6     0.06  -0.00   0.00    -0.04  -0.07  -0.02    -0.01  -0.03  -0.01
    79   6    -0.02   0.09   0.02     0.05   0.03   0.01     0.02   0.01   0.01
    80   1    -0.19  -0.09   0.00    -0.13  -0.04   0.00     0.01  -0.00   0.00
    81   1    -0.01  -0.03   0.00    -0.01  -0.06   0.00     0.01   0.05  -0.00
    82   1    -0.01  -0.00   0.00    -0.00  -0.04   0.00     0.01   0.06  -0.00
    83   1    -0.03  -0.01   0.00     0.02  -0.01   0.00     0.03   0.02  -0.00
    84   1     0.04  -0.01  -0.00    -0.13   0.12  -0.00     0.03  -0.02   0.00
    85   1     0.05   0.02   0.00    -0.05   0.01  -0.00     0.03   0.00   0.00
    86   1     0.06  -0.06   0.00    -0.13   0.15  -0.00     0.05  -0.05   0.00
    87   1     0.05   0.02   0.00     0.33   0.03  -0.00    -0.03  -0.00   0.00
    88   1    -0.01   0.04  -0.00     0.24  -0.21   0.00    -0.02   0.01  -0.00
    89   1     0.00   0.04  -0.00     0.13   0.02  -0.00    -0.02  -0.00  -0.00
    90   1     0.03  -0.04   0.02    -0.03   0.02  -0.01    -0.00  -0.02   0.01
    91   1    -0.03  -0.02   0.02    -0.03  -0.00   0.01    -0.04  -0.01   0.02
    92   1     0.04  -0.04   0.03    -0.03   0.02  -0.01     0.05  -0.04   0.03
    93   1    -0.02  -0.02   0.02    -0.03  -0.00   0.00     0.01  -0.01   0.01
    94   1    -0.00  -0.00  -0.00     0.01   0.01  -0.00    -0.00   0.01  -0.01
    95   1    -0.01  -0.00  -0.00     0.02   0.01   0.01    -0.02  -0.00  -0.01
    96   1    -0.00  -0.00   0.00    -0.01  -0.02   0.01     0.02   0.04  -0.02
    97   1    -0.00  -0.00  -0.00    -0.00  -0.01   0.00     0.01   0.01  -0.00
    98   1    -0.05  -0.02   0.03     0.06   0.02  -0.01    -0.01   0.00  -0.00
    99   1     0.03  -0.04   0.03     0.04  -0.02   0.00    -0.02   0.02  -0.01
   100   1    -0.06  -0.02   0.04     0.12  -0.00  -0.03     0.01   0.00  -0.01
   101   1     0.01  -0.04   0.03     0.09  -0.06   0.02    -0.00   0.01  -0.01
   102   1    -0.10  -0.19  -0.06     0.01   0.01   0.00     0.13   0.06   0.03
   103   1     0.07  -0.16  -0.04     0.00  -0.00  -0.00     0.20  -0.20  -0.04
   104   1    -0.01  -0.04  -0.01     0.01  -0.00   0.00     0.39  -0.04   0.02
   105   1    -0.09  -0.18  -0.06     0.01   0.01   0.00     0.15   0.09   0.04
   106   1    -0.01  -0.20  -0.06    -0.00   0.00   0.00    -0.08   0.16   0.04
   107   1    -0.01  -0.04  -0.01    -0.02   0.01   0.00    -0.34   0.16   0.01
   108   1    -0.14  -0.11  -0.04    -0.02  -0.01  -0.00    -0.25  -0.07  -0.04
   109   1    -0.01  -0.21  -0.06    -0.00   0.00  -0.00    -0.08   0.13   0.03
   110   1    -0.01   0.02   0.00     0.00   0.07   0.01    -0.00  -0.09  -0.02
   111   1    -0.00   0.00   0.00     0.11   0.03  -0.02    -0.14  -0.04   0.02
   112   1     0.00   0.01   0.00     0.10   0.13   0.00    -0.12  -0.17  -0.01
   113   1    -0.01   0.02   0.01    -0.01   0.08   0.02     0.01  -0.10  -0.02
   114   1     0.00   0.00  -0.00    -0.08   0.01   0.02     0.10  -0.00  -0.02
   115   1     0.01   0.01  -0.00    -0.14  -0.10   0.01     0.18   0.13  -0.01
   116   1     0.00   0.02   0.00    -0.03  -0.11  -0.02     0.04   0.16   0.02
   117   1    -0.00   0.00   0.00    -0.07  -0.00   0.01     0.08   0.00  -0.02
   118   1    -0.15  -0.26  -0.08    -0.11  -0.07  -0.03    -0.05  -0.02  -0.01
   119   1     0.09  -0.24  -0.05    -0.14   0.14   0.03    -0.06   0.07   0.01
   120   1    -0.03  -0.06  -0.02    -0.29   0.03  -0.02    -0.13   0.02  -0.01
   121   1    -0.15  -0.26  -0.09    -0.13  -0.09  -0.04    -0.05  -0.03  -0.01
   122   1    -0.02  -0.28  -0.08     0.07  -0.13  -0.03     0.03  -0.06  -0.01
   123   1    -0.03  -0.06  -0.02     0.30  -0.15  -0.01     0.12  -0.06  -0.00
   124   1    -0.21  -0.15  -0.06     0.23   0.06   0.04     0.09   0.02   0.01
   125   1    -0.02  -0.30  -0.08     0.06  -0.10  -0.02     0.03  -0.04  -0.01
   126  17     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
                    292                    293                    294
                      A                      A                      A
 Frequencies --   1519.6853              1520.6580              1530.6163
 Red. masses --      2.9607                 2.6418                 2.9934
 Frc consts  --      4.0286                 3.5993                 4.1318
 IR Inten    --     63.8922                41.1714                15.5085
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.01   0.00    -0.02   0.01  -0.00    -0.05  -0.01  -0.00
     2   6    -0.00  -0.00  -0.00     0.01   0.02  -0.00     0.02   0.05  -0.00
     3   6     0.00   0.01  -0.00     0.01  -0.04   0.00     0.05  -0.04   0.00
     4   6     0.00  -0.01   0.00    -0.02   0.01  -0.00    -0.06  -0.04   0.00
     5   6    -0.00   0.01  -0.00     0.02   0.03  -0.00     0.01   0.09  -0.00
     6   6     0.01   0.00  -0.00    -0.01  -0.02   0.00     0.05  -0.02   0.00
     7   6    -0.01  -0.00  -0.00     0.02   0.07  -0.00    -0.02   0.03  -0.00
     8   6     0.00  -0.01   0.00    -0.02  -0.03   0.00     0.01  -0.03   0.00
     9   6     0.01   0.01  -0.00    -0.05  -0.02   0.00    -0.01   0.03  -0.00
    10   6    -0.01  -0.00   0.00    -0.02   0.01  -0.00     0.01  -0.00   0.00
    11   6     0.00   0.01  -0.00     0.03  -0.04   0.00     0.01   0.01  -0.00
    12   6     0.00  -0.01   0.00    -0.02   0.01  -0.00     0.01  -0.02   0.00
    13   6    -0.01  -0.00  -0.00    -0.02   0.02  -0.00    -0.03   0.01  -0.00
    14   6    -0.00   0.01  -0.00     0.06  -0.04   0.00     0.03  -0.01   0.00
    15   7     0.00  -0.00   0.00     0.01   0.04  -0.00     0.01  -0.01   0.00
    16   6    -0.02  -0.00   0.00     0.11   0.00  -0.00    -0.02  -0.01   0.00
    17   6     0.01  -0.00   0.00    -0.02   0.01  -0.00    -0.04  -0.01   0.00
    18   7     0.00   0.00  -0.00     0.04  -0.01   0.00     0.03   0.01  -0.00
    19   6     0.01   0.01  -0.00    -0.11  -0.06   0.00     0.02   0.02  -0.00
    20   6     0.01  -0.01   0.00    -0.03   0.10  -0.00     0.01  -0.03   0.00
    21   6    -0.01   0.00   0.00     0.07  -0.07   0.01     0.00   0.04  -0.00
    22   6     0.00   0.00  -0.00    -0.06  -0.00  -0.00     0.01  -0.02   0.00
    23   6    -0.01   0.01  -0.01     0.01  -0.01   0.00    -0.02  -0.03   0.00
    24   6     0.00   0.01  -0.01    -0.00   0.00  -0.00     0.01   0.00  -0.00
    25   6     0.00   0.01  -0.01     0.01   0.02  -0.01    -0.00  -0.01   0.00
    26   6    -0.01  -0.00   0.00     0.01  -0.01   0.00    -0.01   0.01  -0.01
    27   6     0.01  -0.00  -0.00     0.01   0.00  -0.00    -0.01  -0.01   0.01
    28   6     0.00   0.01  -0.00    -0.01   0.01  -0.00     0.01   0.01  -0.01
    29   6    -0.01   0.01  -0.00     0.00  -0.01   0.01    -0.01   0.00  -0.00
    30   6     0.00  -0.01   0.01     0.01   0.00  -0.00    -0.00  -0.00   0.00
    31   6     0.01   0.00   0.01    -0.01  -0.00  -0.00     0.00   0.04  -0.02
    32   6    -0.01  -0.01  -0.00     0.00   0.01  -0.00     0.04   0.01   0.02
    33   6    -0.01   0.00   0.00     0.01  -0.01   0.00    -0.02  -0.04   0.01
    34   6     0.01   0.02  -0.01    -0.01  -0.00  -0.00    -0.00   0.04  -0.03
    35   6     0.00  -0.01   0.01     0.00   0.01  -0.00     0.05   0.01   0.02
    36   6     0.01  -0.00   0.00    -0.02  -0.02   0.02    -0.01   0.00   0.00
    37   6    -0.01   0.00  -0.00    -0.02   0.02  -0.01     0.01   0.00  -0.00
    38   6    -0.00   0.01   0.00     0.04   0.01  -0.01    -0.01  -0.01   0.01
    39   6     0.01   0.00  -0.00     0.00  -0.02   0.02    -0.00   0.01  -0.00
    40   6    -0.00  -0.01   0.00    -0.04   0.03  -0.01     0.01  -0.01   0.00
    41   7     0.04  -0.04  -0.01    -0.02   0.02   0.00    -0.03  -0.02   0.00
    42   7    -0.01  -0.04  -0.01     0.00  -0.01  -0.00     0.01  -0.01  -0.00
    43   7    -0.01  -0.03  -0.01    -0.03  -0.04  -0.01     0.00   0.00   0.00
    44   6    -0.00   0.07   0.02     0.00   0.02   0.00    -0.02  -0.00  -0.00
    45   6     0.06  -0.03  -0.00     0.01  -0.01  -0.00     0.01   0.02   0.01
    46   6    -0.07  -0.00  -0.01    -0.01   0.00  -0.00    -0.01  -0.02  -0.01
    47   6     0.04   0.06   0.02     0.01   0.01   0.00    -0.01   0.02   0.00
    48   6    -0.09   0.05   0.03     0.03  -0.02  -0.01     0.02   0.09   0.01
    49   6     0.09   0.05  -0.01    -0.03  -0.02   0.00     0.09  -0.09  -0.03
    50   6    -0.05  -0.08  -0.01     0.02   0.03   0.00    -0.09   0.10   0.04
    51   6    -0.05   0.09   0.03     0.02  -0.03  -0.01     0.09   0.01  -0.02
    52   6     0.00   0.05   0.01    -0.00   0.06   0.02    -0.00  -0.01  -0.00
    53   6     0.04  -0.03  -0.00     0.06  -0.02  -0.00    -0.00   0.00   0.00
    54   6    -0.05   0.00  -0.00    -0.07  -0.01  -0.01     0.00  -0.00   0.00
    55   6     0.03   0.04   0.01     0.03   0.06   0.02    -0.00  -0.00  -0.00
    56   6     0.02  -0.04  -0.01     0.00  -0.01  -0.00     0.01  -0.00   0.00
    57   6     0.01   0.06   0.02     0.00   0.01   0.00    -0.01   0.02   0.01
    58   6    -0.07  -0.01  -0.01    -0.01  -0.00  -0.00    -0.02  -0.01  -0.00
    59   6     0.02  -0.04  -0.01     0.00  -0.01  -0.00     0.02   0.00   0.00
    60   6    -0.04  -0.03  -0.01    -0.01  -0.00  -0.00     0.01  -0.01  -0.00
    61   6     0.05  -0.04  -0.01     0.01  -0.01  -0.00    -0.01   0.01   0.00
    62   6     0.03   0.06   0.02     0.01   0.01   0.00    -0.01  -0.01  -0.00
    63   6    -0.04  -0.02  -0.01    -0.01  -0.00  -0.00     0.01  -0.01  -0.00
    64   6     0.07  -0.00  -0.01    -0.02  -0.00   0.00    -0.03  -0.05  -0.00
    65   6    -0.07   0.05   0.02     0.03  -0.02  -0.01     0.10  -0.03  -0.03
    66   6    -0.03  -0.09  -0.01     0.01   0.03   0.00    -0.00   0.11   0.02
    67   6     0.06  -0.01  -0.02    -0.02   0.00   0.00    -0.02  -0.09  -0.01
    68   6     0.01  -0.06  -0.01    -0.00   0.02   0.00    -0.09  -0.02   0.01
    69   6     0.09   0.03  -0.01    -0.03  -0.01   0.00     0.10  -0.01  -0.02
    70   6    -0.05   0.07   0.02     0.02  -0.02  -0.01    -0.02   0.09   0.02
    71   6     0.00  -0.07  -0.01     0.00   0.02   0.00    -0.05  -0.02   0.01
    72   6     0.01  -0.03  -0.01     0.03  -0.04  -0.01    -0.00   0.00   0.00
    73   6     0.01   0.04   0.01     0.00   0.07   0.02     0.00  -0.00  -0.00
    74   6    -0.04  -0.00  -0.00    -0.07  -0.01  -0.01     0.00   0.00   0.00
    75   6     0.01  -0.03  -0.01     0.02  -0.04  -0.01    -0.00   0.00   0.00
    76   6    -0.03  -0.02  -0.01    -0.03  -0.03  -0.01     0.00  -0.00   0.00
    77   6     0.04  -0.03  -0.00     0.04  -0.04  -0.01    -0.00   0.01   0.00
    78   6     0.02   0.04   0.01     0.02   0.05   0.01    -0.00  -0.01  -0.00
    79   6    -0.03  -0.02  -0.01    -0.04  -0.02  -0.01     0.00   0.00   0.00
    80   1    -0.01  -0.01   0.00    -0.20  -0.06   0.00    -0.01  -0.04   0.00
    81   1    -0.00   0.00   0.00    -0.02  -0.12   0.00    -0.06  -0.24   0.01
    82   1    -0.01  -0.01   0.00    -0.01  -0.07   0.00    -0.07  -0.25   0.00
    83   1    -0.03  -0.01   0.00     0.02  -0.02   0.00    -0.15  -0.09   0.00
    84   1     0.01  -0.00   0.00    -0.16   0.15  -0.00    -0.04   0.06  -0.00
    85   1     0.03   0.01   0.00    -0.05   0.02  -0.00     0.06   0.03  -0.00
    86   1     0.02  -0.02   0.00    -0.15   0.18  -0.00    -0.03   0.06  -0.00
    87   1    -0.04  -0.00   0.00     0.42   0.05  -0.00    -0.07   0.00  -0.00
    88   1    -0.03   0.03   0.00     0.28  -0.23   0.00    -0.06   0.04   0.00
    89   1    -0.01   0.00   0.00     0.18   0.04   0.00    -0.03  -0.03   0.00
    90   1     0.00  -0.01   0.01    -0.03   0.02  -0.01     0.04  -0.03   0.01
    91   1    -0.03  -0.01   0.02    -0.04  -0.00   0.01     0.03  -0.00  -0.00
    92   1     0.03  -0.03   0.02    -0.03   0.01  -0.00     0.02  -0.02   0.01
    93   1     0.01  -0.01   0.01    -0.03  -0.01   0.01     0.02  -0.00  -0.00
    94   1     0.01  -0.01   0.01    -0.00   0.01  -0.01    -0.07  -0.13   0.03
    95   1     0.04   0.01   0.02    -0.02  -0.00  -0.01    -0.15  -0.07  -0.04
    96   1    -0.02  -0.05   0.03    -0.00   0.01  -0.01    -0.08  -0.14   0.04
    97   1    -0.00  -0.01   0.01    -0.02  -0.00  -0.01    -0.17  -0.08  -0.05
    98   1    -0.01  -0.01   0.01     0.07  -0.00   0.00     0.02   0.00  -0.01
    99   1     0.01  -0.01   0.01     0.11  -0.09   0.05    -0.01   0.01  -0.01
   100   1    -0.03  -0.00   0.01     0.07  -0.02   0.00    -0.00   0.01  -0.00
   101   1    -0.01   0.00   0.00     0.10  -0.10   0.05    -0.02   0.02  -0.01
   102   1     0.09   0.04   0.02     0.02   0.01   0.00    -0.00  -0.03  -0.01
   103   1     0.13  -0.13  -0.03     0.02  -0.02  -0.00     0.04  -0.06  -0.01
   104   1     0.25  -0.03   0.01     0.04  -0.00   0.00     0.05  -0.02  -0.00
   105   1     0.10   0.06   0.03     0.02   0.01   0.01    -0.00  -0.03  -0.01
   106   1    -0.05   0.10   0.03    -0.01   0.01   0.00     0.01   0.03   0.01
   107   1    -0.23   0.10   0.01    -0.05   0.02   0.00     0.04  -0.01   0.00
   108   1    -0.17  -0.05  -0.03    -0.04  -0.01  -0.01     0.05   0.02   0.01
   109   1    -0.05   0.08   0.02    -0.01   0.01   0.00     0.01   0.03   0.01
   110   1     0.01   0.13   0.02    -0.00  -0.04  -0.01    -0.13   0.10   0.04
   111   1     0.24   0.06  -0.04    -0.09  -0.02   0.01    -0.35  -0.03   0.07
   112   1     0.20   0.28   0.01    -0.07  -0.09  -0.00    -0.20  -0.18   0.01
   113   1    -0.01   0.16   0.03    -0.00  -0.05  -0.01    -0.14   0.12   0.05
   114   1    -0.16   0.01   0.04     0.05  -0.00  -0.01     0.12  -0.14  -0.05
   115   1    -0.28  -0.20   0.02     0.09   0.07  -0.01    -0.16  -0.18  -0.00
   116   1    -0.06  -0.24  -0.03     0.02   0.08   0.01    -0.03  -0.32  -0.05
   117   1    -0.13  -0.01   0.03     0.04   0.00  -0.01     0.11  -0.12  -0.04
   118   1     0.06   0.03   0.01     0.08   0.02   0.01    -0.00  -0.00  -0.00
   119   1     0.08  -0.08  -0.02     0.13  -0.15  -0.03    -0.01   0.01   0.00
   120   1     0.16  -0.02   0.01     0.25  -0.04   0.01    -0.01   0.00  -0.00
   121   1     0.07   0.04   0.02     0.09   0.04   0.02    -0.00  -0.00  -0.00
   122   1    -0.03   0.07   0.02    -0.04   0.10   0.02     0.00   0.00   0.00
   123   1    -0.15   0.07   0.01    -0.19   0.10   0.01     0.02  -0.01   0.00
   124   1    -0.12  -0.03  -0.02    -0.14  -0.03  -0.02     0.02   0.01   0.00
   125   1    -0.03   0.05   0.01    -0.04   0.09   0.02     0.00  -0.00  -0.00
   126  17    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
                    295                    296                    297
                      A                      A                      A
 Frequencies --   1531.3843              1531.6856              1533.7002
 Red. masses --      3.1364                 3.1770                 3.0678
 Frc consts  --      4.3336                 4.3915                 4.2517
 IR Inten    --     19.2338                13.6823               172.0041
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.01   0.00     0.00  -0.00   0.00    -0.10  -0.03  -0.00
     2   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.02   0.09  -0.00
     3   6    -0.00   0.01  -0.00     0.00   0.00  -0.00     0.09  -0.07   0.00
     4   6     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.10  -0.07   0.00
     5   6    -0.00  -0.01   0.00    -0.00  -0.00   0.00     0.03   0.14  -0.00
     6   6    -0.00   0.01  -0.00     0.00   0.00  -0.00     0.07  -0.04   0.00
     7   6     0.01  -0.01   0.00    -0.01  -0.01   0.00    -0.03   0.07  -0.00
     8   6     0.01   0.01  -0.00     0.00   0.00  -0.00    -0.01  -0.05   0.00
     9   6    -0.00  -0.01   0.00     0.01   0.01  -0.00    -0.00   0.06  -0.00
    10   6     0.00   0.01  -0.00    -0.01   0.00  -0.00     0.01  -0.00   0.00
    11   6    -0.01   0.00  -0.00    -0.00   0.01  -0.00     0.02  -0.00   0.00
    12   6    -0.00   0.01  -0.00     0.01  -0.01   0.00     0.00  -0.03   0.00
    13   6    -0.00  -0.01   0.00     0.00  -0.00  -0.00    -0.05   0.02  -0.00
    14   6    -0.01   0.01  -0.00    -0.01   0.01  -0.00     0.06  -0.02   0.00
    15   7    -0.00   0.00  -0.00    -0.00  -0.01   0.00     0.01  -0.01   0.00
    16   6     0.01   0.00  -0.00    -0.02  -0.00   0.00    -0.05  -0.02   0.00
    17   6     0.01   0.00  -0.00     0.00  -0.00   0.00    -0.06  -0.02   0.00
    18   7    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.05   0.02  -0.00
    19   6    -0.00  -0.01   0.00     0.02   0.01  -0.00     0.04   0.04  -0.00
    20   6    -0.01   0.01  -0.00     0.01  -0.02   0.00     0.02  -0.06   0.00
    21   6    -0.00  -0.01   0.00    -0.02   0.02  -0.00     0.01   0.07  -0.00
    22   6    -0.00   0.00   0.00     0.01   0.00   0.00     0.01  -0.03   0.00
    23   6     0.00   0.01  -0.00    -0.00  -0.00  -0.00     0.00  -0.01   0.00
    24   6     0.03  -0.01   0.00    -0.01   0.00  -0.00     0.00   0.00   0.00
    25   6     0.01  -0.00  -0.00     0.03  -0.01   0.00    -0.01  -0.01   0.00
    26   6    -0.01   0.02  -0.01     0.00  -0.01   0.00    -0.01   0.01  -0.00
    27   6    -0.03  -0.01   0.01     0.01   0.00  -0.00    -0.00  -0.01   0.01
    28   6     0.01  -0.01   0.00     0.00   0.00  -0.00     0.01   0.01  -0.01
    29   6    -0.02   0.02  -0.01     0.00  -0.01   0.00    -0.01  -0.00   0.00
    30   6    -0.02  -0.01   0.01     0.01   0.00  -0.00     0.00  -0.00   0.00
    31   6     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.02  -0.01
    32   6    -0.00  -0.00  -0.00     0.00  -0.00   0.00     0.01   0.00   0.01
    33   6     0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.03  -0.05   0.01
    34   6     0.00  -0.01   0.00     0.00   0.00  -0.00    -0.01   0.02  -0.02
    35   6    -0.01  -0.00  -0.00     0.00  -0.00   0.00     0.04   0.02   0.01
    36   6    -0.01  -0.00   0.01    -0.02  -0.01   0.01    -0.01   0.01  -0.00
    37   6    -0.01   0.01  -0.00    -0.01   0.02  -0.01     0.01  -0.00  -0.00
    38   6     0.01   0.00  -0.00    -0.00  -0.00   0.00    -0.01  -0.01   0.01
    39   6    -0.01  -0.00   0.01    -0.02  -0.00   0.01     0.00   0.01  -0.01
    40   6    -0.01   0.01  -0.01    -0.00   0.01  -0.01     0.02  -0.01   0.01
    41   7     0.01   0.00  -0.00    -0.00  -0.00   0.00     0.04   0.05  -0.00
    42   7     0.06  -0.01   0.00    -0.02   0.01  -0.00    -0.00  -0.00  -0.00
    43   7     0.02  -0.01   0.00     0.06  -0.02   0.00     0.00   0.01   0.00
    44   6    -0.10  -0.04  -0.02     0.04   0.01   0.01     0.00   0.00   0.00
    45   6     0.03   0.14   0.04    -0.01  -0.05  -0.02     0.00  -0.00  -0.00
    46   6    -0.04  -0.14  -0.04     0.01   0.05   0.02    -0.00  -0.00  -0.00
    47   6    -0.07   0.08   0.01     0.03  -0.03  -0.01     0.00   0.00   0.00
    48   6    -0.00  -0.01  -0.00     0.00   0.00   0.00    -0.01  -0.07  -0.01
    49   6    -0.01   0.02   0.01     0.00  -0.00  -0.00    -0.07   0.06   0.02
    50   6     0.01  -0.02  -0.01    -0.00   0.00   0.00     0.06  -0.06  -0.02
    51   6    -0.02  -0.00   0.00     0.00   0.00  -0.00    -0.06  -0.02   0.01
    52   6    -0.04  -0.01  -0.01    -0.10  -0.03  -0.02    -0.00  -0.01  -0.00
    53   6     0.02   0.05   0.01     0.04   0.14   0.04    -0.01   0.00   0.00
    54   6    -0.02  -0.05  -0.01    -0.05  -0.14  -0.04     0.01   0.00   0.00
    55   6    -0.03   0.03   0.01    -0.07   0.08   0.01    -0.00  -0.01  -0.00
    56   6     0.06   0.00   0.01    -0.02  -0.00  -0.00     0.00  -0.00  -0.00
    57   6    -0.03   0.11   0.03     0.01  -0.04  -0.01    -0.00   0.00   0.00
    58   6    -0.10  -0.06  -0.03     0.04   0.02   0.01    -0.00  -0.00  -0.00
    59   6     0.10   0.03   0.02    -0.04  -0.01  -0.01     0.00  -0.00  -0.00
    60   6     0.07  -0.07  -0.01    -0.03   0.03   0.01    -0.00   0.00  -0.00
    61   6    -0.06   0.11   0.02     0.02  -0.04  -0.01     0.00  -0.00  -0.00
    62   6    -0.08  -0.08  -0.03     0.03   0.03   0.01     0.00   0.00   0.00
    63   6     0.06  -0.03  -0.00    -0.02   0.01   0.00    -0.00  -0.00  -0.00
    64   6     0.01   0.01   0.00    -0.00  -0.00  -0.00     0.02   0.03   0.00
    65   6    -0.02   0.00   0.00     0.00  -0.00  -0.00    -0.06   0.02   0.02
    66   6     0.00  -0.02  -0.00    -0.00   0.00   0.00     0.00  -0.06  -0.01
    67   6     0.00   0.01   0.00    -0.00  -0.00  -0.00     0.01   0.06   0.01
    68   6     0.01   0.00  -0.00    -0.00  -0.00   0.00     0.06   0.02  -0.01
    69   6    -0.02   0.00   0.00     0.00  -0.00  -0.00    -0.07   0.00   0.02
    70   6     0.00  -0.01  -0.00    -0.00   0.00   0.00     0.02  -0.07  -0.02
    71   6     0.01   0.00  -0.00    -0.00  -0.00   0.00     0.03   0.02  -0.00
    72   6     0.02  -0.00   0.00     0.06  -0.00   0.00    -0.00   0.00   0.00
    73   6    -0.01   0.04   0.01    -0.03   0.12   0.03     0.00  -0.01  -0.00
    74   6    -0.04  -0.02  -0.01    -0.10  -0.06  -0.03     0.00   0.00   0.00
    75   6     0.04   0.01   0.01     0.10   0.03   0.02    -0.00   0.00   0.00
    76   6     0.02  -0.03  -0.01     0.07  -0.08  -0.01     0.00   0.00   0.00
    77   6    -0.02   0.04   0.01    -0.05   0.11   0.02    -0.00   0.01   0.00
    78   6    -0.03  -0.03  -0.01    -0.09  -0.08  -0.03    -0.01  -0.01  -0.00
    79   6     0.02  -0.01  -0.00     0.06  -0.03  -0.00     0.00   0.00   0.00
    80   1    -0.00   0.00   0.00     0.03   0.01  -0.00    -0.00  -0.06   0.00
    81   1     0.00   0.03  -0.00    -0.00   0.00  -0.00    -0.11  -0.40   0.01
    82   1     0.01   0.02  -0.00    -0.00   0.00   0.00    -0.11  -0.40   0.01
    83   1     0.01   0.01   0.00    -0.01  -0.00  -0.00    -0.24  -0.14   0.01
    84   1     0.02  -0.03   0.00     0.03  -0.02  -0.00    -0.10   0.13  -0.00
    85   1     0.01  -0.01  -0.00     0.02   0.00   0.00     0.07   0.06  -0.00
    86   1     0.05  -0.05   0.00     0.02  -0.02   0.00    -0.11   0.15  -0.00
    87   1     0.02  -0.00   0.00    -0.07  -0.01   0.00    -0.13   0.01  -0.00
    88   1     0.02  -0.02   0.00    -0.06   0.05   0.00    -0.11   0.08   0.00
    89   1     0.01   0.01  -0.00    -0.03  -0.01  -0.00    -0.05  -0.05   0.00
    90   1     0.08  -0.05   0.02    -0.02   0.01  -0.01     0.03  -0.02   0.01
    91   1     0.10   0.01  -0.03    -0.03  -0.00   0.01     0.02  -0.01   0.00
    92   1     0.08  -0.05   0.02    -0.02   0.01  -0.01     0.01  -0.02   0.01
    93   1     0.11   0.00  -0.03    -0.03  -0.00   0.01    -0.00  -0.00   0.00
    94   1     0.01   0.01  -0.00    -0.00  -0.01   0.00    -0.02  -0.06   0.01
    95   1     0.02   0.01   0.01    -0.01  -0.00  -0.00    -0.08  -0.04  -0.02
    96   1     0.01   0.02  -0.00    -0.00  -0.01   0.00    -0.05  -0.07   0.01
    97   1     0.02   0.01   0.01    -0.01  -0.00  -0.00    -0.11  -0.04  -0.03
    98   1     0.04  -0.00  -0.01     0.08  -0.00  -0.02     0.02   0.01  -0.02
    99   1     0.03  -0.02   0.01     0.05  -0.04   0.02    -0.02   0.03  -0.02
   100   1     0.04   0.00  -0.01     0.07   0.01  -0.02    -0.02   0.01  -0.00
   101   1     0.04  -0.03   0.01     0.06  -0.03   0.02    -0.04   0.04  -0.02
   102   1    -0.03  -0.18  -0.05     0.01   0.07   0.02     0.00  -0.00  -0.00
   103   1     0.22  -0.31  -0.07    -0.08   0.12   0.03     0.01  -0.01  -0.00
   104   1     0.26  -0.09  -0.00    -0.10   0.03   0.00     0.01  -0.00   0.00
   105   1    -0.04  -0.21  -0.06     0.02   0.08   0.03     0.00  -0.00  -0.00
   106   1     0.07   0.20   0.06    -0.03  -0.08  -0.02    -0.00  -0.00  -0.00
   107   1     0.29  -0.06   0.01    -0.11   0.02  -0.00    -0.01   0.00  -0.00
   108   1     0.36   0.16   0.08    -0.14  -0.06  -0.03    -0.02  -0.01  -0.00
   109   1     0.07   0.17   0.05    -0.03  -0.06  -0.02    -0.00   0.00   0.00
   110   1     0.02  -0.02  -0.01    -0.01   0.01   0.00     0.08  -0.07  -0.03
   111   1     0.06   0.01  -0.01    -0.01  -0.00   0.00     0.21   0.02  -0.04
   112   1     0.03   0.03  -0.00    -0.01  -0.01   0.00     0.11   0.10  -0.01
   113   1     0.02  -0.02  -0.01    -0.01   0.01   0.00     0.09  -0.09  -0.04
   114   1    -0.02   0.02   0.01     0.01  -0.01  -0.00    -0.09   0.10   0.04
   115   1     0.02   0.03   0.00    -0.01  -0.01  -0.00     0.12   0.13   0.00
   116   1     0.00   0.05   0.01    -0.00  -0.02  -0.00     0.02   0.24   0.04
   117   1    -0.02   0.02   0.01     0.01  -0.01  -0.00    -0.06   0.09   0.03
   118   1    -0.01  -0.07  -0.02    -0.04  -0.18  -0.05    -0.00   0.00   0.00
   119   1     0.08  -0.13  -0.03     0.22  -0.33  -0.07    -0.01   0.02   0.00
   120   1     0.11  -0.04  -0.00     0.28  -0.10  -0.01    -0.02   0.00  -0.00
   121   1    -0.02  -0.08  -0.02    -0.05  -0.21  -0.06    -0.00   0.00   0.00
   122   1     0.03   0.08   0.02     0.08   0.20   0.06     0.00  -0.00  -0.00
   123   1     0.10  -0.02   0.00     0.28  -0.07   0.01     0.02  -0.01   0.00
   124   1     0.13   0.06   0.03     0.36   0.15   0.07     0.02   0.01   0.00
   125   1     0.03   0.07   0.02     0.07   0.17   0.05     0.01  -0.01  -0.00
   126  17    -0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
                    298                    299                    300
                      A                      A                      A
 Frequencies --   1547.5235              1559.9178              1561.1442
 Red. masses --      2.6129                 3.0643                 2.9167
 Frc consts  --      3.6867                 4.3933                 4.1882
 IR Inten    --    333.6918               348.5267                67.7352
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.03   0.00    -0.01  -0.05   0.00     0.01  -0.01   0.00
     2   6    -0.00   0.03  -0.00    -0.01   0.02   0.00    -0.01   0.01  -0.00
     3   6     0.01   0.03  -0.00     0.05  -0.01   0.00     0.01   0.00  -0.00
     4   6    -0.03  -0.05   0.00    -0.03   0.02  -0.00     0.01   0.00  -0.00
     5   6    -0.02   0.01  -0.00     0.03   0.03  -0.00    -0.00  -0.01   0.00
     6   6     0.06   0.02  -0.00    -0.04  -0.02  -0.00    -0.00   0.00  -0.00
     7   6    -0.02  -0.08   0.00     0.02   0.03  -0.00    -0.03  -0.02   0.00
     8   6     0.10   0.01  -0.00    -0.04  -0.04   0.00     0.01   0.02  -0.00
     9   6    -0.05  -0.04   0.00     0.03   0.04  -0.00     0.04   0.01  -0.00
    10   6     0.04   0.05  -0.00    -0.06  -0.01   0.00    -0.04   0.01  -0.00
    11   6    -0.06   0.07  -0.00    -0.00  -0.02  -0.00     0.00   0.02   0.00
    12   6     0.06   0.01  -0.00    -0.02   0.03  -0.00     0.02  -0.03   0.00
    13   6    -0.05  -0.06   0.00    -0.04   0.00   0.00     0.02   0.00  -0.00
    14   6    -0.07   0.08  -0.00     0.05  -0.01   0.00    -0.02   0.00  -0.00
    15   7    -0.03   0.02  -0.00    -0.01  -0.01   0.00    -0.02  -0.01   0.00
    16   6     0.07   0.02  -0.00    -0.02  -0.03   0.00    -0.03  -0.03   0.00
    17   6    -0.01   0.00  -0.00    -0.03   0.00  -0.00     0.02   0.01  -0.00
    18   7    -0.01  -0.01   0.00     0.06   0.01  -0.00     0.02  -0.00   0.00
    19   6    -0.01  -0.04   0.00     0.01   0.03  -0.00     0.05   0.02  -0.00
    20   6    -0.05   0.06  -0.00     0.02  -0.04   0.00     0.00  -0.04  -0.00
    21   6     0.02  -0.03   0.00    -0.01   0.05  -0.00    -0.06   0.05  -0.00
    22   6    -0.02   0.00   0.00    -0.01  -0.02   0.00    -0.01  -0.01   0.00
    23   6    -0.02  -0.02   0.00     0.09   0.09  -0.00    -0.00  -0.00   0.00
    24   6     0.06  -0.02  -0.00     0.09  -0.03   0.00    -0.06   0.02   0.00
    25   6     0.03  -0.01  -0.00     0.04  -0.01  -0.00     0.15  -0.05   0.00
    26   6    -0.04   0.05  -0.03    -0.04   0.05  -0.03     0.02  -0.03   0.02
    27   6    -0.05  -0.02   0.03    -0.07  -0.03   0.03     0.04   0.02  -0.02
    28   6     0.10  -0.04   0.01     0.11  -0.03   0.00    -0.07   0.02  -0.00
    29   6    -0.03   0.06  -0.04    -0.04   0.06  -0.04     0.02  -0.04   0.03
    30   6    -0.08  -0.03   0.03    -0.06  -0.03   0.03     0.05   0.02  -0.02
    31   6     0.01   0.04  -0.02    -0.01  -0.09   0.05     0.00   0.01  -0.00
    32   6     0.03  -0.00   0.02    -0.09  -0.01  -0.05     0.01  -0.00   0.00
    33   6    -0.04  -0.03  -0.00     0.10   0.11  -0.01    -0.01  -0.00  -0.00
    34   6     0.00   0.03  -0.02    -0.00  -0.09   0.05     0.00   0.00  -0.00
    35   6     0.04   0.01   0.02    -0.10  -0.01  -0.05     0.00  -0.00   0.00
    36   6    -0.03  -0.01   0.01    -0.03  -0.01   0.02    -0.11  -0.04   0.05
    37   6    -0.02   0.02  -0.02    -0.01   0.03  -0.02    -0.06   0.10  -0.06
    38   6     0.05  -0.01  -0.00     0.04  -0.02   0.01     0.17  -0.06   0.01
    39   6    -0.02  -0.01   0.02    -0.02  -0.01   0.01    -0.10  -0.04   0.05
    40   6    -0.02   0.03  -0.02    -0.01   0.02  -0.01    -0.06   0.09  -0.05
    41   7     0.02   0.02  -0.00    -0.05  -0.05   0.00     0.00   0.00  -0.00
    42   7    -0.06   0.02  -0.00    -0.05   0.01  -0.00     0.04  -0.01   0.00
    43   7    -0.02   0.01  -0.00    -0.02   0.01  -0.00    -0.08   0.03  -0.00
    44   6     0.02  -0.00  -0.00     0.01  -0.00  -0.00    -0.01   0.00   0.00
    45   6    -0.00  -0.01  -0.00    -0.00  -0.01  -0.00     0.00   0.01   0.00
    46   6     0.01   0.02   0.00     0.00   0.01   0.00    -0.00  -0.01  -0.00
    47   6     0.02  -0.01  -0.00     0.01  -0.01   0.00    -0.01   0.00  -0.00
    48   6    -0.01  -0.01   0.00     0.01   0.02  -0.00    -0.00  -0.00   0.00
    49   6    -0.01   0.01   0.00     0.01  -0.01  -0.00    -0.00   0.00   0.00
    50   6     0.00  -0.01  -0.00    -0.01   0.01   0.00     0.00  -0.00  -0.00
    51   6    -0.01  -0.01   0.00     0.02   0.01   0.00    -0.00  -0.00   0.00
    52   6     0.01   0.00   0.00     0.01  -0.00  -0.00     0.02  -0.01  -0.00
    53   6    -0.00  -0.01  -0.00    -0.00  -0.00  -0.00    -0.00  -0.01  -0.00
    54   6     0.00   0.01   0.00     0.00   0.00   0.00     0.01   0.01   0.00
    55   6     0.01  -0.00   0.00     0.00  -0.00  -0.00     0.02  -0.01   0.00
    56   6    -0.01   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    57   6     0.01  -0.02  -0.00     0.00  -0.01  -0.00    -0.00   0.01   0.00
    58   6     0.01   0.01   0.00     0.01   0.01   0.00    -0.00  -0.00  -0.00
    59   6    -0.02  -0.01  -0.00    -0.01  -0.00  -0.00     0.01   0.00   0.00
    60   6    -0.01   0.01   0.00    -0.01   0.01   0.00     0.00  -0.01  -0.00
    61   6     0.01  -0.01  -0.00     0.00  -0.01  -0.00    -0.00   0.00   0.00
    62   6     0.01   0.01   0.00     0.01   0.01   0.00    -0.00  -0.00  -0.00
    63   6    -0.01   0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
    64   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    65   6    -0.01   0.00   0.00     0.01  -0.00  -0.00    -0.00   0.00   0.00
    66   6     0.00  -0.01  -0.00    -0.00   0.01   0.00     0.00  -0.00  -0.00
    67   6     0.00   0.01   0.00    -0.00  -0.01  -0.00     0.00   0.00   0.00
    68   6     0.01   0.00  -0.00    -0.01  -0.00   0.00     0.00   0.00  -0.00
    69   6    -0.01   0.00   0.00     0.01  -0.00  -0.00    -0.00  -0.00   0.00
    70   6     0.00  -0.01  -0.00    -0.00   0.01   0.00    -0.00   0.00   0.00
    71   6     0.00   0.00  -0.00    -0.00  -0.01  -0.00     0.00  -0.00  -0.00
    72   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.01   0.00   0.00
    73   6     0.00  -0.01  -0.00     0.00  -0.01  -0.00     0.01  -0.02  -0.00
    74   6     0.00   0.00   0.00     0.00   0.00   0.00     0.01   0.01   0.00
    75   6    -0.01  -0.00  -0.00    -0.00  -0.00  -0.00    -0.02  -0.01  -0.00
    76   6    -0.00   0.01   0.00    -0.00   0.00   0.00    -0.01   0.01   0.00
    77   6     0.00  -0.01  -0.00     0.00  -0.00  -0.00     0.00  -0.01  -0.00
    78   6     0.01   0.01   0.00     0.00   0.00   0.00     0.01   0.01   0.00
    79   6    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.01   0.00  -0.00
    80   1     0.02  -0.01   0.00    -0.00  -0.00  -0.00     0.07   0.05  -0.00
    81   1    -0.01  -0.01   0.00    -0.04  -0.07  -0.01    -0.01  -0.00  -0.00
    82   1    -0.04  -0.06   0.00     0.01  -0.06   0.00    -0.00   0.01  -0.00
    83   1    -0.13  -0.03  -0.00     0.02  -0.01   0.01    -0.01   0.00  -0.00
    84   1     0.22  -0.22   0.01    -0.06   0.04   0.01     0.05  -0.03  -0.01
    85   1     0.22  -0.00  -0.00     0.04   0.02  -0.01     0.00  -0.00   0.01
    86   1     0.37  -0.34   0.00    -0.06   0.11  -0.00     0.01  -0.03   0.00
    87   1     0.10  -0.03   0.00    -0.05   0.02  -0.00    -0.13  -0.02  -0.00
    88   1     0.12  -0.13   0.00    -0.07   0.06   0.00    -0.11   0.07   0.01
    89   1     0.05   0.01  -0.00    -0.01  -0.02  -0.00    -0.03  -0.01  -0.01
    90   1     0.19  -0.13   0.05     0.20  -0.13   0.06    -0.13   0.09  -0.04
    91   1     0.23   0.02  -0.05     0.24   0.02  -0.05    -0.16  -0.01   0.04
    92   1     0.20  -0.13   0.05     0.20  -0.13   0.06    -0.13   0.09  -0.04
    93   1     0.26   0.02  -0.06     0.25   0.01  -0.06    -0.18  -0.01   0.05
    94   1    -0.05  -0.12   0.04     0.15   0.29  -0.09    -0.01  -0.02   0.01
    95   1    -0.11  -0.06  -0.02     0.29   0.14   0.07    -0.01  -0.01  -0.00
    96   1    -0.05  -0.10   0.03     0.15   0.29  -0.08    -0.00  -0.01   0.01
    97   1    -0.11  -0.05  -0.03     0.31   0.16   0.09    -0.01  -0.00  -0.00
    98   1     0.10   0.00  -0.02     0.12   0.00  -0.04     0.42   0.01  -0.11
    99   1     0.09  -0.07   0.03     0.08  -0.05   0.02     0.31  -0.22   0.09
   100   1     0.11  -0.00  -0.02     0.09   0.01  -0.03     0.38   0.02  -0.09
   101   1     0.10  -0.07   0.03     0.06  -0.04   0.02     0.31  -0.21   0.10
   102   1    -0.00   0.02   0.01    -0.00   0.01   0.00     0.00  -0.01  -0.00
   103   1    -0.03   0.05   0.01    -0.02   0.02   0.01     0.01  -0.02  -0.00
   104   1    -0.04   0.01   0.00    -0.02   0.01   0.00     0.01  -0.01  -0.00
   105   1     0.01   0.04   0.01     0.01   0.03   0.01    -0.01  -0.02  -0.01
   106   1    -0.01  -0.04  -0.01    -0.01  -0.03  -0.01     0.00   0.02   0.01
   107   1    -0.03   0.01  -0.00    -0.02   0.00  -0.00     0.01  -0.00   0.00
   108   1    -0.04  -0.02  -0.01    -0.02  -0.01  -0.01     0.01   0.01   0.00
   109   1    -0.01  -0.02  -0.01    -0.01  -0.01  -0.00     0.00   0.01   0.00
   110   1     0.01  -0.01  -0.00    -0.01   0.01   0.00     0.00  -0.00  -0.00
   111   1     0.03   0.00  -0.01    -0.04  -0.00   0.01     0.00   0.00  -0.00
   112   1     0.01   0.01  -0.00    -0.02  -0.02   0.00     0.00   0.00  -0.00
   113   1     0.02  -0.02  -0.01    -0.03   0.03   0.01     0.00  -0.00  -0.00
   114   1    -0.01   0.01   0.01     0.03  -0.03  -0.01    -0.00   0.00   0.00
   115   1     0.01   0.01   0.00    -0.02  -0.02  -0.00     0.00   0.00  -0.00
   116   1     0.00   0.02   0.00    -0.00  -0.04  -0.01    -0.00  -0.00   0.00
   117   1    -0.01   0.01   0.00     0.01  -0.01  -0.00    -0.00   0.00   0.00
   118   1    -0.00   0.01   0.00    -0.00   0.00   0.00    -0.00   0.02   0.00
   119   1    -0.01   0.02   0.00    -0.01   0.01   0.00    -0.03   0.04   0.01
   120   1    -0.01   0.01   0.00    -0.01   0.00   0.00    -0.03   0.01   0.00
   121   1     0.00   0.01   0.00     0.00   0.01   0.00     0.02   0.05   0.02
   122   1    -0.00  -0.02  -0.01    -0.00  -0.01  -0.00    -0.01  -0.04  -0.02
   123   1    -0.02   0.00  -0.00    -0.01   0.00  -0.00    -0.03   0.01  -0.00
   124   1    -0.02  -0.01  -0.00    -0.01  -0.00  -0.00    -0.04  -0.02  -0.01
   125   1    -0.00  -0.01  -0.00    -0.00  -0.00  -0.00    -0.01  -0.01  -0.00
   126  17    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
                    301                    302                    303
                      A                      A                      A
 Frequencies --   1567.3906              1578.6161              1592.3423
 Red. masses --      3.1402                 5.3544                 5.4530
 Frc consts  --      4.5453                 7.8616                 8.1462
 IR Inten    --     31.7225                22.4643                32.4459
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.10   0.04  -0.00     0.11  -0.08   0.00    -0.00  -0.06   0.00
     2   6    -0.01  -0.03  -0.00    -0.04   0.07  -0.00    -0.01   0.06  -0.00
     3   6    -0.03  -0.02   0.00     0.09  -0.03   0.00     0.05   0.03  -0.00
     4   6     0.04   0.10  -0.00    -0.04   0.10  -0.00    -0.05  -0.03   0.00
     5   6     0.00  -0.09   0.00     0.02  -0.09   0.00    -0.00  -0.01   0.00
     6   6    -0.09   0.01   0.00    -0.09   0.03  -0.00     0.02   0.02  -0.00
     7   6     0.05   0.04  -0.00    -0.00   0.01  -0.00    -0.10  -0.16   0.00
     8   6    -0.09  -0.00   0.00     0.04  -0.08   0.00     0.05   0.25  -0.00
     9   6     0.06   0.02  -0.00     0.06   0.02  -0.00     0.03  -0.10   0.00
    10   6    -0.08  -0.03   0.00    -0.22   0.05  -0.00    -0.03   0.10  -0.00
    11   6     0.03  -0.05  -0.00    -0.05   0.02   0.00    -0.00   0.13  -0.00
    12   6    -0.09   0.02  -0.00     0.13   0.04  -0.00    -0.11  -0.19   0.00
    13   6     0.02   0.04   0.00    -0.12  -0.07  -0.00     0.18   0.12  -0.00
    14   6     0.06  -0.06   0.00    -0.02   0.10  -0.00    -0.01  -0.15   0.00
    15   7    -0.01  -0.02   0.00    -0.12  -0.00   0.00    -0.08  -0.01   0.00
    16   6    -0.02  -0.04   0.00     0.13  -0.13   0.00     0.09  -0.06   0.00
    17   6    -0.01   0.02  -0.00    -0.12   0.06  -0.00    -0.03   0.05  -0.00
    18   7     0.04   0.00  -0.00     0.21  -0.01   0.00     0.05  -0.02   0.00
    19   6    -0.01   0.03  -0.00    -0.07   0.04  -0.00    -0.01   0.00  -0.00
    20   6     0.04  -0.05   0.00     0.05  -0.06   0.00    -0.02  -0.00   0.00
    21   6    -0.02   0.04  -0.00     0.10   0.10  -0.00     0.08   0.04  -0.00
    22   6    -0.00  -0.01   0.00    -0.07  -0.09   0.00    -0.07  -0.05   0.00
    23   6    -0.08  -0.08   0.00     0.00  -0.02   0.02     0.03   0.00   0.01
    24   6     0.10  -0.03   0.00    -0.07   0.03  -0.01     0.00  -0.07   0.06
    25   6     0.03  -0.01  -0.00    -0.05   0.03  -0.02    -0.03   0.03  -0.02
    26   6    -0.03   0.05  -0.03     0.03  -0.04   0.03    -0.05   0.08  -0.05
    27   6    -0.06  -0.03   0.03     0.04   0.03  -0.03    -0.05  -0.07   0.06
    28   6     0.09  -0.02  -0.00    -0.06  -0.01   0.02     0.05   0.12  -0.09
    29   6    -0.04   0.05  -0.03     0.03  -0.01   0.01    -0.01  -0.07   0.05
    30   6    -0.05  -0.02   0.03     0.01   0.01  -0.01     0.07   0.04  -0.04
    31   6     0.01   0.07  -0.04     0.00   0.04  -0.02     0.00   0.02  -0.01
    32   6     0.08   0.01   0.04     0.03  -0.01   0.02     0.01  -0.01   0.01
    33   6    -0.09  -0.07  -0.01    -0.05   0.03  -0.04    -0.01   0.03  -0.02
    34   6     0.02   0.07  -0.03     0.02  -0.01   0.02     0.00  -0.03   0.02
    35   6     0.05   0.00   0.03    -0.03  -0.01  -0.01    -0.03   0.00  -0.02
    36   6    -0.02  -0.01   0.01    -0.01   0.00   0.00    -0.02  -0.01   0.01
    37   6    -0.01   0.02  -0.01     0.03  -0.01  -0.00     0.01   0.01  -0.01
    38   6     0.02  -0.01   0.00    -0.06  -0.03   0.03    -0.03  -0.03   0.03
    39   6    -0.01  -0.00   0.01     0.05   0.03  -0.03     0.03   0.02  -0.02
    40   6    -0.01   0.01  -0.01     0.03  -0.04   0.03     0.02  -0.03   0.02
    41   7     0.04   0.03  -0.00     0.01  -0.01   0.00    -0.00  -0.01   0.00
    42   7    -0.04   0.01  -0.00     0.03  -0.00  -0.00    -0.01  -0.02   0.00
    43   7    -0.01   0.01  -0.00     0.02   0.00  -0.00     0.01   0.00  -0.00
    44   6     0.01  -0.00  -0.00    -0.01   0.00  -0.00    -0.01  -0.00  -0.00
    45   6     0.00  -0.00  -0.00    -0.00   0.01   0.00     0.02  -0.00   0.00
    46   6     0.00   0.00   0.00     0.00  -0.00  -0.00    -0.02   0.00  -0.00
    47   6     0.01  -0.00   0.00    -0.01   0.00  -0.00     0.01  -0.00   0.00
    48   6    -0.01  -0.01   0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
    49   6    -0.00   0.00   0.00     0.01   0.00  -0.00     0.00   0.00  -0.00
    50   6     0.00  -0.01  -0.00    -0.01  -0.00   0.00    -0.00  -0.00  -0.00
    51   6    -0.01  -0.01  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    52   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
    53   6    -0.00  -0.00  -0.00    -0.01   0.00  -0.00    -0.01   0.00   0.00
    54   6     0.00   0.00   0.00     0.00   0.00   0.00     0.01  -0.00   0.00
    55   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    56   6    -0.00   0.00   0.00     0.00   0.00   0.00     0.01  -0.01  -0.00
    57   6     0.00  -0.01  -0.00     0.00  -0.00  -0.00    -0.01   0.02   0.01
    58   6     0.00   0.00   0.00    -0.00   0.00   0.00     0.01  -0.01  -0.00
    59   6    -0.01  -0.00  -0.00     0.00  -0.00   0.00     0.00   0.01   0.00
    60   6    -0.00   0.01   0.00     0.00  -0.01  -0.00     0.00   0.01   0.00
    61   6     0.00  -0.01  -0.00     0.00   0.00   0.00    -0.01  -0.01  -0.00
    62   6     0.01   0.01   0.00    -0.01  -0.00  -0.00     0.03   0.02   0.01
    63   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.01  -0.01  -0.00
    64   6     0.01   0.00  -0.00     0.01  -0.00  -0.00     0.00   0.00  -0.00
    65   6    -0.01   0.00   0.00    -0.01   0.00   0.00    -0.01  -0.00   0.00
    66   6     0.00  -0.01  -0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
    67   6     0.00   0.01   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    68   6     0.01   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    69   6    -0.01  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    70   6     0.00  -0.00  -0.00    -0.00   0.01   0.00    -0.00   0.01   0.00
    71   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
    72   6    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    73   6     0.00  -0.00  -0.00     0.00  -0.01  -0.00     0.00  -0.01  -0.00
    74   6     0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    75   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    76   6    -0.00   0.00   0.00     0.00  -0.01  -0.00    -0.00  -0.00  -0.00
    77   6     0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    78   6     0.00   0.00   0.00    -0.01  -0.01  -0.00    -0.01  -0.01  -0.00
    79   6    -0.00   0.00   0.00     0.01   0.01   0.00     0.00   0.00   0.00
    80   1     0.03   0.07  -0.00     0.10   0.11  -0.00     0.17   0.29  -0.01
    81   1     0.03   0.13   0.01    -0.07  -0.04  -0.01    -0.06  -0.10  -0.00
    82   1     0.09   0.22  -0.00     0.08   0.16  -0.00    -0.01  -0.03   0.00
    83   1     0.22   0.10  -0.01     0.12   0.09  -0.01    -0.08  -0.00  -0.00
    84   1    -0.15   0.13   0.01     0.14  -0.17  -0.00     0.17  -0.05  -0.01
    85   1    -0.16   0.00  -0.01     0.35   0.03   0.01    -0.38  -0.01  -0.02
    86   1    -0.26   0.25  -0.00     0.30  -0.20   0.00    -0.33   0.11   0.00
    87   1    -0.04   0.03  -0.00     0.17   0.10  -0.00     0.05   0.01  -0.00
    88   1    -0.09   0.10   0.00    -0.02   0.02  -0.00     0.04  -0.07   0.00
    89   1    -0.01  -0.02  -0.00     0.16  -0.05   0.01     0.15  -0.01   0.01
    90   1     0.18  -0.11   0.06    -0.15   0.09  -0.06     0.19  -0.09   0.06
    91   1     0.21   0.01  -0.05    -0.13   0.01   0.02     0.13  -0.05   0.01
    92   1     0.17  -0.12   0.05    -0.07   0.07  -0.04    -0.09  -0.01   0.03
    93   1     0.20   0.00  -0.05    -0.09  -0.00   0.02    -0.16   0.01   0.04
    94   1    -0.12  -0.23   0.08    -0.05  -0.08   0.03    -0.01  -0.01   0.00
    95   1    -0.22  -0.11  -0.05    -0.04  -0.04   0.00     0.01  -0.01   0.01
    96   1    -0.09  -0.21   0.07     0.03  -0.01   0.02     0.03   0.04  -0.01
    97   1    -0.19  -0.10  -0.05     0.06   0.03   0.03     0.06   0.04   0.02
    98   1     0.08   0.00  -0.03    -0.02   0.00  -0.00     0.02  -0.00  -0.00
    99   1     0.05  -0.03   0.01    -0.06   0.07  -0.04     0.00   0.02  -0.02
   100   1     0.05   0.00  -0.01    -0.14   0.01   0.02    -0.08   0.01   0.01
   101   1     0.04  -0.03   0.01    -0.14   0.08  -0.05    -0.09   0.05  -0.03
   102   1    -0.00   0.00   0.00    -0.00  -0.01  -0.00     0.01  -0.00  -0.00
   103   1    -0.01   0.01   0.00    -0.00   0.00   0.00     0.03  -0.04  -0.01
   104   1    -0.01   0.00   0.00     0.01   0.00   0.00    -0.01  -0.01  -0.00
   105   1     0.01   0.02   0.01    -0.00  -0.01  -0.00    -0.02  -0.02  -0.01
   106   1    -0.00  -0.02  -0.01     0.00   0.02   0.01     0.01  -0.03  -0.01
   107   1    -0.01   0.00  -0.00     0.01   0.00   0.00    -0.00  -0.01  -0.00
   108   1    -0.02  -0.01  -0.00     0.02   0.01   0.00    -0.05  -0.02  -0.01
   109   1    -0.00  -0.00  -0.00     0.01   0.00   0.00    -0.02   0.01   0.00
   110   1     0.01   0.00  -0.00     0.00   0.01   0.00     0.00   0.00  -0.00
   111   1     0.03   0.00  -0.01     0.02   0.00  -0.00     0.01  -0.00  -0.00
   112   1     0.01   0.01  -0.00     0.01  -0.00  -0.00     0.00  -0.00  -0.00
   113   1     0.02  -0.02  -0.01     0.00  -0.01  -0.00     0.00  -0.00  -0.00
   114   1    -0.02   0.01   0.01     0.01  -0.01  -0.00     0.01  -0.00  -0.00
   115   1     0.01   0.01   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
   116   1     0.00   0.01   0.00    -0.00  -0.02  -0.00    -0.00  -0.01  -0.00
   117   1    -0.00   0.00   0.00    -0.00  -0.01  -0.00    -0.00  -0.00   0.00
   118   1    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
   119   1    -0.00   0.01   0.00    -0.01   0.01   0.00    -0.01   0.01   0.00
   120   1    -0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
   121   1     0.00   0.01   0.00     0.00   0.00   0.00     0.00   0.00   0.00
   122   1    -0.00  -0.01  -0.00     0.00   0.02   0.00    -0.00   0.01   0.00
   123   1    -0.00   0.00  -0.00     0.01   0.00   0.00     0.00   0.00   0.00
   124   1    -0.00  -0.00  -0.00     0.02   0.01   0.00     0.02   0.01   0.00
   125   1    -0.00  -0.00  -0.00     0.01  -0.01  -0.00     0.01  -0.00  -0.00
   126  17    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
                    304                    305                    306
                      A                      A                      A
 Frequencies --   1604.8996              1611.5413              1614.3605
 Red. masses --      6.6129                 6.3035                 6.4468
 Frc consts  --     10.0354                 9.6453                 9.8990
 IR Inten    --     20.8165                 5.7382                 5.4714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.10   0.07   0.01     0.00  -0.01   0.00    -0.07   0.01  -0.01
     2   6     0.03  -0.10   0.00    -0.00  -0.00  -0.00     0.03   0.01   0.00
     3   6    -0.15   0.10  -0.00    -0.01   0.01  -0.00    -0.03   0.01   0.00
     4   6     0.19  -0.15   0.00     0.02  -0.02   0.00     0.03  -0.05   0.00
     5   6    -0.09   0.06  -0.00    -0.02  -0.01  -0.00    -0.03   0.02   0.00
     6   6     0.16   0.02  -0.00     0.02   0.01  -0.00     0.07   0.01   0.00
     7   6     0.04  -0.02   0.00     0.02  -0.01   0.00    -0.06  -0.04  -0.00
     8   6    -0.05   0.01   0.00    -0.01  -0.00  -0.00     0.01   0.09  -0.00
     9   6     0.10  -0.04   0.00     0.04   0.00  -0.00     0.03  -0.04   0.00
    10   6    -0.15   0.10  -0.00    -0.05   0.03  -0.00    -0.03   0.05  -0.00
    11   6     0.01  -0.02   0.00    -0.02   0.01   0.00     0.05   0.04  -0.00
    12   6    -0.02   0.02   0.00     0.03   0.02  -0.00    -0.09  -0.13   0.02
    13   6     0.00  -0.00  -0.00    -0.02  -0.01   0.00     0.09   0.07  -0.00
    14   6     0.01  -0.00  -0.00     0.01   0.00   0.00    -0.00  -0.06  -0.00
    15   7    -0.07  -0.01   0.00    -0.06  -0.03   0.00    -0.04  -0.01   0.00
    16   6     0.07  -0.08   0.00     0.07  -0.01  -0.00     0.04  -0.03   0.00
    17   6    -0.02   0.07  -0.00    -0.09   0.01   0.00    -0.03   0.03  -0.00
    18   7     0.08  -0.04   0.00     0.06   0.00   0.00     0.03  -0.01   0.00
    19   6    -0.05   0.03  -0.00    -0.04   0.01   0.00    -0.02   0.01   0.00
    20   6     0.04  -0.04   0.00     0.02  -0.04   0.00     0.01  -0.02   0.00
    21   6     0.03   0.04   0.00     0.00   0.07  -0.02     0.02   0.04  -0.01
    22   6    -0.04  -0.04   0.00     0.04  -0.03   0.00    -0.01  -0.03   0.00
    23   6    -0.11   0.11  -0.12    -0.04   0.05  -0.05     0.07  -0.05   0.06
    24   6     0.02   0.03  -0.03    -0.03  -0.06   0.04     0.08   0.21  -0.15
    25   6     0.01   0.06  -0.05    -0.07  -0.23   0.17    -0.03  -0.07   0.05
    26   6     0.02  -0.03   0.02    -0.01   0.04  -0.03     0.04  -0.14   0.09
    27   6     0.01   0.02  -0.02    -0.03  -0.03   0.03     0.10   0.11  -0.10
    28   6    -0.00  -0.05   0.03     0.02   0.07  -0.05    -0.05  -0.21   0.15
    29   6    -0.01   0.03  -0.02     0.01  -0.04   0.03    -0.04   0.15  -0.10
    30   6    -0.02  -0.02   0.02     0.04   0.03  -0.03    -0.11  -0.11   0.10
    31   6     0.01  -0.14   0.09     0.01  -0.05   0.03    -0.02   0.05  -0.04
    32   6    -0.12   0.05  -0.09    -0.04   0.01  -0.03     0.05  -0.02   0.04
    33   6     0.14  -0.14   0.15     0.05  -0.05   0.05    -0.06   0.06  -0.06
    34   6    -0.05   0.12  -0.09    -0.01   0.04  -0.03     0.01  -0.06   0.04
    35   6     0.13  -0.01   0.08     0.04  -0.01   0.03    -0.06   0.01  -0.04
    36   6    -0.05  -0.03   0.03     0.13   0.11  -0.11     0.04   0.04  -0.03
    37   6     0.00   0.04  -0.03     0.04  -0.17   0.12     0.02  -0.05   0.04
    38   6    -0.03  -0.07   0.06     0.06   0.24  -0.18     0.02   0.07  -0.05
    39   6     0.04   0.04  -0.04    -0.11  -0.12   0.11    -0.03  -0.03   0.03
    40   6     0.02  -0.05   0.03    -0.05   0.17  -0.11    -0.01   0.05  -0.03
    41   7    -0.02   0.02  -0.00    -0.01   0.00  -0.00     0.00  -0.01   0.00
    42   7     0.00   0.01  -0.00     0.00  -0.01   0.00     0.00   0.02  -0.01
    43   7     0.00   0.01  -0.00    -0.01  -0.02   0.01    -0.00  -0.01   0.00
    44   6     0.00   0.00   0.00    -0.01  -0.00  -0.00     0.05   0.02   0.01
    45   6    -0.01   0.00   0.00     0.02  -0.00   0.00    -0.06   0.01  -0.00
    46   6     0.01  -0.01  -0.00    -0.02   0.00  -0.00     0.06  -0.02   0.00
    47   6    -0.01   0.01   0.00     0.01  -0.01  -0.00    -0.03   0.04   0.01
    48   6     0.01   0.03   0.00     0.00   0.01   0.00    -0.00  -0.02  -0.00
    49   6    -0.02  -0.03   0.00    -0.01  -0.01  -0.00     0.02   0.02  -0.00
    50   6     0.03   0.03  -0.00     0.01   0.01  -0.00    -0.02  -0.02   0.00
    51   6    -0.03  -0.00   0.00    -0.01  -0.00   0.00     0.02   0.00  -0.00
    52   6     0.01   0.00   0.00    -0.05  -0.02  -0.01    -0.02  -0.01  -0.00
    53   6    -0.01   0.00  -0.00     0.06  -0.02   0.00     0.02  -0.01   0.00
    54   6     0.01  -0.00   0.00    -0.06   0.02   0.00    -0.02   0.01   0.00
    55   6    -0.01   0.01   0.00     0.03  -0.04  -0.01     0.01  -0.01  -0.00
    56   6    -0.00   0.01   0.00     0.01  -0.01  -0.00    -0.03   0.03   0.01
    57   6     0.01  -0.01  -0.00    -0.01   0.02   0.00     0.05  -0.07  -0.01
    58   6    -0.01   0.01   0.00     0.01  -0.01  -0.00    -0.05   0.03   0.00
    59   6     0.00  -0.01  -0.00    -0.00   0.01   0.00     0.01  -0.04  -0.01
    60   6    -0.00  -0.00  -0.00     0.01   0.01   0.00    -0.03  -0.03  -0.01
    61   6     0.01   0.00   0.00    -0.02  -0.00  -0.00     0.06  -0.00   0.01
    62   6    -0.01  -0.00  -0.00     0.02   0.01   0.00    -0.07  -0.03  -0.02
    63   6     0.01   0.00   0.00    -0.01  -0.01  -0.00     0.04   0.02   0.01
    64   6    -0.03  -0.00   0.01    -0.01  -0.00   0.00     0.02   0.00  -0.00
    65   6     0.05   0.00  -0.01     0.02   0.00  -0.00    -0.03  -0.00   0.01
    66   6    -0.03  -0.01   0.00    -0.01  -0.01   0.00     0.02   0.01  -0.00
    67   6     0.02  -0.01  -0.01     0.01  -0.00  -0.00    -0.01   0.00   0.00
    68   6     0.01  -0.02  -0.01     0.00  -0.01  -0.00    -0.00   0.01   0.00
    69   6     0.01   0.03   0.00     0.01   0.01   0.00    -0.01  -0.02  -0.00
    70   6    -0.00  -0.06  -0.01    -0.00  -0.02  -0.00     0.00   0.03   0.01
    71   6     0.00   0.03   0.01     0.00   0.01   0.00    -0.00  -0.02  -0.00
    72   6    -0.01   0.01   0.00     0.02  -0.04  -0.01     0.01  -0.01  -0.00
    73   6     0.01  -0.02  -0.00    -0.04   0.07   0.02    -0.01   0.02   0.00
    74   6    -0.01   0.01   0.00     0.04  -0.03  -0.01     0.02  -0.01  -0.00
    75   6     0.00  -0.01  -0.00    -0.01   0.04   0.01    -0.00   0.01   0.00
    76   6    -0.01  -0.01  -0.00     0.03   0.03   0.01     0.01   0.01   0.00
    77   6     0.01   0.00   0.00    -0.06  -0.00  -0.01    -0.02   0.00  -0.00
    78   6    -0.02  -0.01  -0.00     0.08   0.03   0.02     0.02   0.01   0.01
    79   6     0.01   0.01   0.00    -0.04  -0.01  -0.01    -0.01  -0.00  -0.00
    80   1     0.07   0.19  -0.01     0.21   0.13  -0.01     0.09   0.14  -0.00
    81   1     0.10   0.18   0.01     0.00   0.03   0.00    -0.00  -0.09  -0.00
    82   1    -0.12   0.03  -0.00    -0.01   0.03  -0.00    -0.05  -0.02  -0.00
    83   1    -0.26  -0.10   0.02    -0.04  -0.00   0.01    -0.12  -0.05  -0.00
    84   1    -0.02   0.01   0.01     0.04  -0.06  -0.00    -0.02   0.11   0.01
    85   1    -0.01  -0.00   0.00     0.04   0.01  -0.00    -0.17   0.02   0.01
    86   1    -0.05   0.04  -0.00    -0.02   0.03  -0.00    -0.17   0.07   0.00
    87   1     0.08   0.06  -0.00     0.02   0.02  -0.00     0.02   0.02  -0.00
    88   1    -0.03   0.05   0.00    -0.03   0.01  -0.02    -0.01  -0.00  -0.00
    89   1     0.11  -0.01   0.01    -0.09  -0.06  -0.02     0.02  -0.02  -0.00
    90   1    -0.05   0.02  -0.01     0.07  -0.02   0.00    -0.23   0.07  -0.01
    91   1    -0.02   0.02  -0.01     0.07  -0.02   0.00    -0.22   0.07  -0.01
    92   1     0.06  -0.02   0.01    -0.07   0.01   0.00     0.24  -0.07   0.01
    93   1     0.06  -0.01  -0.01    -0.09   0.02   0.01     0.26  -0.06  -0.01
    94   1     0.16   0.21  -0.05     0.06   0.06  -0.01    -0.06  -0.06  -0.00
    95   1     0.13   0.15  -0.02     0.05   0.05  -0.00    -0.06  -0.06   0.00
    96   1    -0.15  -0.13  -0.01    -0.05  -0.05   0.00     0.07   0.07  -0.00
    97   1    -0.19  -0.16  -0.04    -0.06  -0.05  -0.00     0.08   0.07   0.01
    98   1     0.09  -0.01  -0.02    -0.29   0.08   0.02    -0.09   0.02   0.00
    99   1     0.06  -0.00  -0.01    -0.27   0.09  -0.00    -0.09   0.03  -0.00
   100   1    -0.09   0.02   0.00     0.23  -0.09   0.01     0.06  -0.03   0.00
   101   1    -0.10   0.04  -0.02     0.28  -0.10   0.03     0.08  -0.03   0.00
   102   1    -0.01  -0.00  -0.00     0.01  -0.01  -0.00    -0.04   0.01  -0.00
   103   1    -0.01   0.02   0.00     0.02  -0.03  -0.01    -0.06   0.11   0.03
   104   1     0.01   0.01   0.00    -0.02  -0.01  -0.00     0.06   0.03   0.01
   105   1     0.01   0.01   0.00    -0.02  -0.01  -0.00     0.06   0.03   0.01
   106   1    -0.00   0.01   0.00     0.01  -0.02  -0.00    -0.03   0.05   0.01
   107   1    -0.00   0.01   0.00     0.01  -0.02  -0.00    -0.04   0.06   0.01
   108   1     0.02   0.01   0.00    -0.03  -0.02  -0.01     0.10   0.07   0.03
   109   1     0.01   0.00   0.00    -0.01   0.01   0.00     0.04  -0.01   0.00
   110   1    -0.02  -0.02   0.00    -0.01  -0.01   0.00     0.01   0.01  -0.00
   111   1    -0.09   0.00   0.02    -0.03   0.00   0.01     0.05  -0.00  -0.01
   112   1    -0.00   0.04   0.01     0.00   0.02   0.00    -0.00  -0.03  -0.00
   113   1    -0.01   0.05   0.01    -0.00   0.02   0.00    -0.00  -0.02  -0.00
   114   1    -0.05   0.01   0.01    -0.02   0.00   0.00     0.03  -0.00  -0.01
   115   1    -0.04   0.00   0.01    -0.02  -0.00   0.00     0.03   0.00  -0.01
   116   1    -0.00   0.09   0.02    -0.00   0.03   0.01     0.00  -0.05  -0.01
   117   1     0.02   0.02  -0.00     0.01   0.01  -0.00    -0.01  -0.01   0.00
   118   1    -0.01   0.00   0.00     0.05  -0.01   0.00     0.02  -0.00   0.00
   119   1    -0.02   0.03   0.01     0.06  -0.11  -0.03     0.02  -0.04  -0.01
   120   1     0.01   0.01   0.00    -0.06  -0.03  -0.01    -0.02  -0.01  -0.00
   121   1     0.02   0.01   0.00    -0.06  -0.03  -0.01    -0.02  -0.01  -0.00
   122   1    -0.01   0.02   0.00     0.03  -0.06  -0.01     0.01  -0.02  -0.00
   123   1    -0.00   0.01   0.00     0.04  -0.06  -0.01     0.01  -0.02  -0.00
   124   1     0.03   0.02   0.01    -0.11  -0.06  -0.03    -0.03  -0.02  -0.01
   125   1     0.01  -0.01  -0.00    -0.04   0.01  -0.00    -0.01   0.00  -0.00
   126  17    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
                    307                    308                    309
                      A                      A                      A
 Frequencies --   1619.6769              1629.5297              1629.6009
 Red. masses --      7.5441                 5.9097                 5.9099
 Frc consts  --     11.6604                 9.2457                 9.2468
 IR Inten    --      6.2014                 0.0730                 0.1798
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.20  -0.13   0.02     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     2   6    -0.09   0.08  -0.00     0.00   0.00  -0.00     0.00   0.00   0.00
     3   6     0.21  -0.05  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     4   6    -0.21   0.14  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     5   6     0.10  -0.07  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     6   6    -0.20   0.01  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
     7   6    -0.10  -0.04   0.00     0.00   0.00   0.00     0.00  -0.00   0.00
     8   6     0.07   0.06  -0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
     9   6    -0.07  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    10   6     0.09  -0.05   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    11   6     0.01   0.07  -0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    12   6    -0.03  -0.11   0.01     0.00   0.00  -0.00     0.00   0.00  -0.00
    13   6     0.05   0.05  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    14   6    -0.02  -0.04  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    15   7     0.05   0.02  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    16   6    -0.04   0.02  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    17   6     0.02  -0.03   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    18   7    -0.03   0.02  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    19   6     0.04  -0.01   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    20   6    -0.04   0.02  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    21   6     0.02  -0.01   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    22   6    -0.02   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    23   6    -0.15   0.12  -0.13    -0.00  -0.00   0.00     0.00   0.00   0.00
    24   6     0.03   0.09  -0.06    -0.00  -0.00   0.00     0.00  -0.00   0.00
    25   6    -0.01  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    26   6     0.00  -0.06   0.04    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    27   6     0.05   0.04  -0.04    -0.00  -0.00   0.00     0.00  -0.00   0.00
    28   6    -0.03  -0.08   0.06     0.00   0.00  -0.00     0.00   0.00  -0.00
    29   6    -0.01   0.05  -0.04    -0.00  -0.00   0.00     0.00  -0.00   0.00
    30   6    -0.05  -0.04   0.04     0.00   0.00  -0.00    -0.00   0.00   0.00
    31   6     0.04  -0.10   0.08     0.00   0.00  -0.00    -0.00  -0.00   0.00
    32   6    -0.12   0.02  -0.08    -0.00  -0.00   0.00     0.00   0.00  -0.00
    33   6     0.12  -0.11   0.12     0.00   0.00  -0.00    -0.00   0.00  -0.00
    34   6    -0.03   0.11  -0.08    -0.00  -0.00  -0.00     0.00   0.00   0.00
    35   6     0.12  -0.03   0.08     0.00   0.00   0.00    -0.00  -0.00  -0.00
    36   6     0.01   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    37   6    -0.01   0.00   0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    38   6     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    39   6    -0.01  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    40   6     0.01  -0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    41   7    -0.00   0.00  -0.01    -0.01  -0.01   0.00     0.00   0.00  -0.00
    42   7    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.02  -0.01  -0.00
    43   7     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
    44   6     0.03   0.01   0.01    -0.03  -0.02  -0.01    -0.19  -0.13  -0.05
    45   6    -0.04   0.01  -0.00     0.02  -0.02  -0.00     0.13  -0.11  -0.02
    46   6     0.03  -0.01   0.00     0.02   0.00   0.00     0.18   0.03   0.02
    47   6    -0.02   0.02   0.00    -0.01   0.03   0.01    -0.10   0.22   0.05
    48   6     0.01   0.06   0.01    -0.02   0.24   0.05     0.00  -0.03  -0.01
    49   6    -0.05  -0.05   0.00    -0.17  -0.06   0.02     0.02   0.01  -0.00
    50   6     0.05   0.05  -0.00    -0.06  -0.17  -0.02     0.01   0.02   0.00
    51   6    -0.06  -0.01   0.01     0.23  -0.02  -0.05    -0.03   0.00   0.01
    52   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    53   6     0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    54   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    55   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    56   6    -0.02   0.01   0.00    -0.02   0.00  -0.00    -0.12   0.00  -0.01
    57   6     0.03  -0.03  -0.01     0.02  -0.02  -0.00     0.16  -0.14  -0.03
    58   6    -0.03   0.01   0.00    -0.03   0.01   0.00    -0.22   0.07   0.00
    59   6     0.01  -0.02  -0.00     0.01  -0.02  -0.00     0.08  -0.12  -0.03
    60   6    -0.02  -0.01  -0.01     0.02   0.01   0.00     0.12   0.07   0.03
    61   6     0.03  -0.00   0.00    -0.03   0.01  -0.00    -0.21   0.05  -0.01
    62   6    -0.04  -0.02  -0.01     0.03   0.01   0.00     0.20   0.04   0.03
    63   6     0.02   0.01   0.00    -0.01   0.01   0.00    -0.10   0.05   0.01
    64   6    -0.04  -0.01   0.01     0.06   0.10   0.01    -0.01  -0.01  -0.00
    65   6     0.08   0.01  -0.02    -0.19  -0.06   0.03     0.03   0.01  -0.00
    66   6    -0.05  -0.04   0.00     0.16   0.15  -0.01    -0.02  -0.02   0.00
    67   6     0.04  -0.00  -0.01    -0.14  -0.00   0.03     0.02   0.00  -0.00
    68   6     0.00  -0.04  -0.01    -0.01  -0.14  -0.03     0.00   0.02   0.00
    69   6     0.04   0.05   0.00     0.15   0.17  -0.00    -0.02  -0.02   0.00
    70   6    -0.01  -0.08  -0.01    -0.06  -0.20  -0.02     0.01   0.03   0.00
    71   6     0.01   0.04   0.00     0.10   0.06  -0.01    -0.01  -0.01   0.00
    72   6     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    73   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    74   6     0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    75   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    76   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    77   6    -0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    78   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    79   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    80   1    -0.10  -0.10   0.00     0.00   0.00  -0.00     0.01   0.00  -0.00
    81   1    -0.13  -0.04   0.01     0.00   0.00   0.00     0.00   0.00  -0.00
    82   1     0.13   0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    83   1     0.24   0.13   0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    84   1     0.09  -0.00   0.01    -0.00  -0.00  -0.00     0.00  -0.00   0.00
    85   1    -0.07   0.02   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    86   1    -0.03  -0.03   0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
    87   1    -0.04  -0.03   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    88   1     0.03  -0.06   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    89   1     0.02   0.01   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    90   1    -0.09   0.01   0.01     0.00  -0.00   0.00     0.01  -0.01   0.00
    91   1    -0.11   0.02   0.01     0.00  -0.00  -0.00     0.01  -0.00  -0.00
    92   1     0.08  -0.02  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    93   1     0.09  -0.02   0.00    -0.00   0.00   0.00     0.01   0.00  -0.00
    94   1     0.13   0.11   0.01    -0.00  -0.01   0.00     0.00   0.00  -0.00
    95   1     0.15   0.13   0.01    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    96   1    -0.13  -0.14   0.01    -0.00  -0.00   0.00     0.00   0.00  -0.00
    97   1    -0.14  -0.14   0.01    -0.01  -0.00  -0.00     0.00   0.00   0.00
    98   1    -0.01  -0.00   0.01     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    99   1     0.00  -0.01   0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
   100   1     0.01   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
   101   1    -0.00   0.01  -0.01     0.00  -0.00   0.00    -0.00  -0.00   0.00
   102   1    -0.02   0.01   0.00    -0.00   0.02   0.01    -0.02   0.18   0.05
   103   1    -0.02   0.05   0.01    -0.01   0.04   0.01    -0.07   0.27   0.07
   104   1     0.04   0.01   0.01     0.05   0.01   0.01     0.35   0.05   0.04
   105   1     0.03   0.01   0.01     0.03   0.00   0.00     0.20   0.03   0.03
   106   1    -0.02   0.02   0.00     0.02  -0.02  -0.00     0.15  -0.12  -0.02
   107   1    -0.03   0.03   0.01     0.04  -0.03  -0.00     0.26  -0.21  -0.04
   108   1     0.05   0.03   0.01    -0.03  -0.03  -0.01    -0.19  -0.19  -0.07
   109   1     0.02  -0.01  -0.00    -0.01  -0.02  -0.01    -0.10  -0.14  -0.05
   110   1    -0.04  -0.03   0.00     0.16  -0.07  -0.05    -0.02   0.01   0.01
   111   1    -0.12   0.01   0.03     0.26  -0.07  -0.07    -0.04   0.01   0.01
   112   1     0.02   0.08   0.01    -0.12  -0.32  -0.03     0.02   0.04   0.00
   113   1     0.01   0.06   0.01    -0.07  -0.18  -0.02     0.01   0.03   0.00
   114   1    -0.06  -0.01   0.01    -0.18  -0.07   0.03     0.02   0.01  -0.00
   115   1    -0.08  -0.02   0.01    -0.32  -0.12   0.04     0.04   0.02  -0.01
   116   1    -0.01   0.12   0.02    -0.07   0.26   0.06     0.01  -0.04  -0.01
   117   1     0.03   0.04   0.00    -0.07   0.17   0.04     0.01  -0.02  -0.01
   118   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
   119   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
   120   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.01   0.00   0.00
   121   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
   122   1     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
   123   1     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
   124   1    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
   125   1    -0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
   126  17     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
                    310                    311                    312
                      A                      A                      A
 Frequencies --   1629.7251              1632.2158              1632.2275
 Red. masses --      5.9111                 6.7898                 6.5558
 Frc consts  --      9.2501                10.6577                10.2906
 IR Inten    --      0.2126                 0.3221                 2.8189
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00    -0.03   0.01  -0.00    -0.02   0.00  -0.00
     2   6     0.00   0.00  -0.00     0.02   0.01   0.00     0.01   0.01   0.00
     3   6    -0.00  -0.00   0.00    -0.02  -0.01   0.00    -0.02  -0.00   0.00
     4   6     0.00  -0.00   0.00     0.02  -0.01   0.00     0.01  -0.00  -0.00
     5   6    -0.00  -0.00   0.00    -0.01   0.00   0.00    -0.01  -0.01   0.00
     6   6     0.00   0.00  -0.00     0.03   0.00   0.00     0.02   0.01   0.00
     7   6    -0.00   0.00  -0.00    -0.01   0.00  -0.00     0.02   0.00   0.00
     8   6     0.00   0.00  -0.00    -0.00   0.00   0.00    -0.01  -0.01   0.00
     9   6    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.02   0.02  -0.00
    10   6    -0.00   0.00  -0.00    -0.01   0.01  -0.00    -0.00  -0.00  -0.00
    11   6     0.00  -0.00  -0.00     0.01  -0.01  -0.00    -0.02   0.00   0.00
    12   6    -0.00   0.00  -0.00    -0.01  -0.01   0.00     0.02   0.01  -0.00
    13   6     0.00  -0.00   0.00     0.01   0.00  -0.00    -0.02  -0.00   0.00
    14   6    -0.00   0.00  -0.00    -0.01  -0.00  -0.00     0.02  -0.00   0.00
    15   7     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.04  -0.03   0.00
    16   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.03   0.04  -0.00
    17   6    -0.00   0.00  -0.00    -0.00   0.01  -0.00    -0.03  -0.03   0.00
    18   7     0.00  -0.00   0.00     0.00  -0.00   0.00     0.01   0.01  -0.00
    19   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.01  -0.02   0.00
    20   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.01  -0.00
    21   6     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.02  -0.01  -0.00
    22   6     0.00  -0.00  -0.00     0.00  -0.00   0.00     0.03   0.01   0.00
    23   6     0.00   0.00  -0.00     0.05  -0.04   0.05     0.02  -0.02   0.02
    24   6     0.00  -0.00   0.00     0.01   0.04  -0.03    -0.02  -0.03   0.03
    25   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.01  -0.04   0.03
    26   6    -0.00   0.00  -0.00     0.01  -0.03   0.02    -0.00   0.02  -0.02
    27   6     0.00  -0.00   0.00     0.02   0.02  -0.02    -0.02  -0.02   0.02
    28   6    -0.00   0.00  -0.00    -0.02  -0.06   0.03     0.02   0.05  -0.03
    29   6     0.00  -0.00   0.00    -0.00   0.03  -0.02    -0.00  -0.03   0.02
    30   6    -0.00   0.00   0.00    -0.03  -0.02   0.02     0.03   0.02  -0.02
    31   6    -0.00  -0.00   0.00    -0.01   0.05  -0.03    -0.01   0.02  -0.01
    32   6     0.00   0.00  -0.00     0.05  -0.02   0.04     0.02  -0.01   0.01
    33   6     0.00   0.00  -0.00    -0.07   0.07  -0.06    -0.03   0.03  -0.02
    34   6     0.00   0.00   0.00     0.02  -0.05   0.04     0.01  -0.02   0.01
    35   6    -0.00  -0.00  -0.00    -0.05   0.01  -0.03    -0.02   0.00  -0.01
    36   6     0.01   0.00  -0.00    -0.00  -0.00   0.00     0.03   0.02  -0.02
    37   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.01  -0.04   0.03
    38   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.02   0.07  -0.04
    39   6    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.01  -0.03   0.02
    40   6     0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.02   0.04  -0.02
    41   7     0.00   0.00  -0.00     0.04  -0.04  -0.01     0.02  -0.02  -0.00
    42   7     0.00  -0.00   0.00     0.01   0.04   0.01    -0.01  -0.04  -0.01
    43   7    -0.02   0.00  -0.00     0.00   0.00   0.00    -0.02  -0.05  -0.01
    44   6    -0.00  -0.00  -0.00    -0.10  -0.04  -0.02     0.09   0.03   0.02
    45   6     0.00  -0.00  -0.00     0.13  -0.05  -0.00    -0.12   0.05   0.00
    46   6     0.00   0.00   0.00    -0.13   0.02  -0.01     0.12  -0.02   0.00
    47   6    -0.00   0.00   0.00     0.07  -0.08  -0.02    -0.06   0.07   0.01
    48   6     0.00  -0.00  -0.00     0.03   0.16   0.02     0.01   0.06   0.01
    49   6     0.00   0.00  -0.00    -0.16  -0.13   0.01    -0.07  -0.05   0.00
    50   6     0.00   0.00   0.00     0.13   0.17   0.00     0.05   0.07   0.00
    51   6    -0.00   0.00   0.00    -0.16  -0.03   0.03    -0.06  -0.01   0.01
    52   6     0.20   0.13   0.05    -0.00  -0.00  -0.00     0.14   0.04   0.02
    53   6    -0.14   0.12   0.02     0.01  -0.00  -0.00    -0.18   0.07   0.00
    54   6    -0.17  -0.03  -0.02    -0.01   0.00  -0.00     0.20  -0.04   0.01
    55   6     0.09  -0.22  -0.05     0.00  -0.00  -0.00    -0.09   0.12   0.02
    56   6    -0.00  -0.00  -0.00     0.07  -0.01   0.00    -0.06   0.01  -0.00
    57   6     0.00  -0.00  -0.00    -0.08   0.07   0.01     0.07  -0.06  -0.01
    58   6    -0.00   0.00   0.00     0.13  -0.02   0.00    -0.11   0.02  -0.00
    59   6     0.00  -0.00  -0.00    -0.06   0.02   0.00     0.05  -0.02  -0.00
    60   6     0.00   0.00   0.00     0.07  -0.01   0.00    -0.06   0.01  -0.00
    61   6    -0.00   0.00  -0.00    -0.13   0.04   0.00     0.12  -0.04  -0.00
    62   6     0.00   0.00   0.00     0.11   0.02   0.01    -0.10  -0.01  -0.01
    63   6    -0.00   0.00   0.00    -0.07   0.03   0.00     0.06  -0.03  -0.00
    64   6    -0.00  -0.00  -0.00    -0.06  -0.09  -0.00    -0.03  -0.04  -0.00
    65   6     0.00   0.00  -0.00     0.16   0.06  -0.02     0.06   0.02  -0.01
    66   6    -0.00  -0.00   0.00    -0.13  -0.15   0.00    -0.05  -0.06   0.00
    67   6     0.00   0.00  -0.00     0.08   0.07  -0.01     0.03   0.03  -0.00
    68   6     0.00   0.00   0.00    -0.07  -0.08  -0.00    -0.03  -0.03  -0.00
    69   6    -0.00  -0.00   0.00     0.15   0.13  -0.01     0.06   0.05  -0.00
    70   6     0.00   0.00   0.00    -0.06  -0.16  -0.02    -0.02  -0.06  -0.01
    71   6    -0.00  -0.00   0.00     0.09   0.06  -0.01     0.04   0.03  -0.00
    72   6     0.11  -0.01   0.01     0.00  -0.00   0.00    -0.10   0.01  -0.01
    73   6    -0.15   0.14   0.02    -0.00   0.00   0.00     0.12  -0.11  -0.02
    74   6     0.21  -0.07  -0.00     0.01  -0.00   0.00    -0.19   0.04  -0.00
    75   6    -0.07   0.12   0.03    -0.00   0.00   0.00     0.09  -0.04  -0.00
    76   6    -0.13  -0.06  -0.03     0.00  -0.00   0.00    -0.09   0.02  -0.00
    77   6     0.22  -0.06   0.01    -0.01   0.00   0.00     0.17  -0.07  -0.00
    78   6    -0.21  -0.04  -0.03     0.01   0.00   0.00    -0.15  -0.02  -0.02
    79   6     0.10  -0.06  -0.01    -0.00   0.00   0.00     0.09  -0.04  -0.00
    80   1    -0.00  -0.00   0.00    -0.00   0.01  -0.00     0.18   0.08  -0.00
    81   1    -0.00  -0.00   0.00     0.01  -0.04  -0.00     0.00  -0.02  -0.00
    82   1    -0.00   0.00  -0.00    -0.02   0.00  -0.00    -0.01   0.01  -0.00
    83   1    -0.00  -0.00   0.00    -0.04  -0.02  -0.00    -0.03  -0.01  -0.00
    84   1    -0.00   0.00   0.00    -0.03   0.03   0.00     0.01  -0.03  -0.00
    85   1    -0.00  -0.00  -0.00    -0.02  -0.00   0.00     0.03   0.01  -0.00
    86   1     0.00  -0.00  -0.00    -0.01  -0.00   0.00    -0.03   0.05  -0.00
    87   1     0.00   0.00  -0.00     0.01   0.00  -0.00    -0.01  -0.02   0.00
    88   1     0.00   0.00  -0.00    -0.00   0.01   0.00     0.01  -0.00  -0.00
    89   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.07  -0.01  -0.01
    90   1     0.00  -0.00   0.00    -0.05   0.02  -0.01     0.04  -0.01   0.00
    91   1    -0.00  -0.00   0.00    -0.03   0.02  -0.01     0.04  -0.01   0.01
    92   1    -0.00   0.00  -0.00     0.04  -0.00  -0.01    -0.03  -0.00   0.01
    93   1     0.00   0.00  -0.00     0.06  -0.01  -0.01    -0.06   0.01   0.01
    94   1     0.00   0.00  -0.00    -0.06  -0.06   0.01    -0.02  -0.02   0.00
    95   1     0.00   0.00  -0.00    -0.04  -0.05   0.01    -0.02  -0.02   0.00
    96   1     0.00   0.00   0.00     0.06   0.04   0.01     0.02   0.01   0.01
    97   1     0.00   0.00   0.00     0.07   0.06   0.01     0.03   0.02   0.01
    98   1    -0.01  -0.00   0.00     0.00  -0.00  -0.00    -0.06   0.01   0.01
    99   1    -0.01   0.00  -0.00     0.00   0.00  -0.00    -0.05   0.01   0.01
   100   1    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.03  -0.03   0.02
   101   1    -0.01   0.00  -0.00    -0.00   0.00   0.00     0.07  -0.03   0.02
   102   1    -0.00   0.00   0.00     0.04  -0.07  -0.01    -0.04   0.06   0.01
   103   1    -0.00   0.00   0.00     0.03  -0.14  -0.04    -0.03   0.12   0.03
   104   1     0.00   0.00   0.00    -0.17  -0.01  -0.02     0.15   0.01   0.02
   105   1     0.00   0.00   0.00    -0.06   0.04   0.01     0.05  -0.04  -0.01
   106   1     0.00  -0.00  -0.00     0.07   0.01   0.01    -0.07  -0.00  -0.01
   107   1     0.00  -0.00  -0.00     0.15  -0.10  -0.01    -0.13   0.09   0.01
   108   1    -0.00  -0.00  -0.00    -0.10  -0.11  -0.04     0.09   0.10   0.04
   109   1    -0.00  -0.00  -0.00    -0.07  -0.04  -0.02     0.06   0.04   0.02
   110   1    -0.00   0.00   0.00    -0.13   0.00   0.02    -0.05   0.00   0.01
   111   1    -0.00   0.00   0.00    -0.21   0.07   0.06    -0.08   0.03   0.02
   112   1     0.00   0.00   0.00     0.12   0.25   0.02     0.05   0.10   0.01
   113   1     0.00   0.00   0.00     0.10   0.04  -0.01     0.04   0.02  -0.00
   114   1     0.00   0.00  -0.00    -0.04  -0.10  -0.01    -0.02  -0.04  -0.00
   115   1     0.00   0.00  -0.00    -0.24  -0.11   0.03    -0.10  -0.05   0.01
   116   1     0.00  -0.00  -0.00    -0.06   0.21   0.05    -0.03   0.08   0.02
   117   1     0.00  -0.00  -0.00     0.00   0.12   0.02     0.00   0.05   0.01
   118   1     0.01  -0.18  -0.04     0.00  -0.00  -0.00    -0.06   0.10   0.02
   119   1     0.06  -0.26  -0.06     0.00  -0.01  -0.00    -0.04   0.20   0.05
   120   1    -0.34  -0.04  -0.04    -0.01  -0.00  -0.00     0.25   0.02   0.02
   121   1    -0.19  -0.02  -0.03    -0.00   0.00   0.00     0.08  -0.06  -0.01
   122   1    -0.15   0.13   0.02     0.00   0.00   0.00    -0.10  -0.01  -0.01
   123   1    -0.27   0.23   0.04     0.01  -0.01  -0.00    -0.19   0.15   0.02
   124   1     0.20   0.19   0.07    -0.00  -0.00  -0.00     0.14   0.14   0.05
   125   1     0.11   0.14   0.05    -0.00  -0.00  -0.00     0.10   0.05   0.02
   126  17     0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
                    313                    314                    315
                      A                      A                      A
 Frequencies --   1632.4260              1637.2337              1650.8932
 Red. masses --      6.8134                 3.3916                 5.2677
 Frc consts  --     10.6975                 5.3564                 8.4587
 IR Inten    --      1.0923               196.5463               619.0628
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.02  -0.00    -0.00  -0.03   0.00    -0.05  -0.13   0.00
     2   6     0.01  -0.01   0.00     0.01   0.04  -0.00     0.04   0.16  -0.00
     3   6    -0.02   0.00   0.00    -0.01  -0.02   0.00    -0.03  -0.10   0.00
     4   6     0.02  -0.01   0.00    -0.01   0.02  -0.00     0.02   0.07  -0.00
     5   6    -0.01   0.01   0.00    -0.01  -0.03   0.00    -0.07  -0.14   0.00
     6   6     0.02  -0.00   0.00     0.01   0.02  -0.00     0.12   0.09  -0.00
     7   6     0.02   0.01   0.00     0.03  -0.01   0.00    -0.09   0.07  -0.00
     8   6    -0.01  -0.02   0.00    -0.04  -0.00   0.00     0.05  -0.04   0.00
     9   6     0.00   0.00  -0.00     0.08   0.10  -0.00     0.01   0.01  -0.00
    10   6    -0.00  -0.00   0.00    -0.00  -0.04   0.00    -0.00  -0.01   0.00
    11   6    -0.01  -0.01   0.00    -0.04   0.04  -0.00     0.12  -0.11   0.00
    12   6     0.01   0.03  -0.00     0.04  -0.04   0.00    -0.11   0.07  -0.00
    13   6    -0.01  -0.01   0.00    -0.06   0.02  -0.00     0.15  -0.02   0.00
    14   6     0.00   0.01   0.00     0.07  -0.04   0.00    -0.14   0.08  -0.00
    15   7     0.01   0.00  -0.00    -0.14  -0.13   0.00    -0.03  -0.01   0.00
    16   6    -0.01  -0.00   0.00     0.08   0.20  -0.01     0.03   0.03  -0.00
    17   6     0.01   0.00  -0.00    -0.04  -0.15   0.00    -0.03  -0.02   0.00
    18   7    -0.01  -0.00   0.00     0.02   0.04  -0.00     0.01   0.01  -0.00
    19   6     0.00   0.00  -0.00     0.02  -0.08   0.00    -0.04  -0.01   0.00
    20   6     0.00   0.00  -0.00    -0.06   0.08  -0.00     0.03  -0.00  -0.00
    21   6    -0.00  -0.01   0.00    -0.04  -0.10   0.01    -0.05  -0.02   0.00
    22   6    -0.01   0.00  -0.00     0.07   0.07  -0.00     0.05   0.02  -0.00
    23   6     0.03  -0.03   0.03    -0.00   0.01  -0.01     0.04   0.06  -0.01
    24   6    -0.02  -0.06   0.04    -0.02   0.03  -0.01     0.09  -0.04   0.01
    25   6     0.01   0.04  -0.03     0.02   0.03  -0.02     0.03  -0.00  -0.00
    26   6    -0.01   0.04  -0.03     0.03  -0.02   0.01    -0.09   0.05  -0.02
    27   6    -0.03  -0.03   0.03    -0.02   0.01  -0.00     0.10  -0.01  -0.01
    28   6     0.02   0.08  -0.05     0.01  -0.02   0.01    -0.06   0.01  -0.00
    29   6     0.00  -0.04   0.03    -0.03   0.02  -0.01     0.09  -0.05   0.02
    30   6     0.03   0.03  -0.03     0.03  -0.01   0.00    -0.11   0.01   0.01
    31   6    -0.01   0.03  -0.02    -0.00  -0.01   0.01    -0.04  -0.07   0.02
    32   6     0.03  -0.01   0.02     0.00   0.01  -0.00     0.05   0.04   0.01
    33   6    -0.04   0.04  -0.03     0.00  -0.01   0.01    -0.03  -0.03   0.00
    34   6     0.01  -0.03   0.02     0.00   0.01  -0.01     0.04   0.06  -0.02
    35   6    -0.03   0.00  -0.02    -0.00  -0.01   0.00    -0.06  -0.05  -0.01
    36   6    -0.03  -0.02   0.02    -0.03  -0.01   0.02    -0.04   0.00   0.01
    37   6    -0.00   0.04  -0.02     0.01   0.01  -0.01     0.03  -0.01   0.00
    38   6    -0.02  -0.06   0.04    -0.02  -0.02   0.02    -0.02   0.01   0.00
    39   6     0.02   0.03  -0.02     0.03   0.01  -0.02     0.04  -0.00  -0.01
    40   6     0.01  -0.03   0.02    -0.02  -0.01   0.01    -0.04   0.02  -0.00
    41   7     0.02  -0.02  -0.01    -0.00   0.00   0.00     0.01  -0.01  -0.00
    42   7    -0.01  -0.05  -0.01     0.01   0.00   0.00     0.00   0.01   0.00
    43   7     0.01   0.04   0.01     0.00   0.01   0.00    -0.00  -0.01  -0.00
    44   6     0.12   0.04   0.02    -0.01  -0.00  -0.00    -0.01  -0.02  -0.01
    45   6    -0.16   0.06   0.00     0.01   0.00   0.00    -0.01   0.01   0.00
    46   6     0.17  -0.03   0.01    -0.02  -0.01  -0.00     0.04   0.05   0.02
    47   6    -0.08   0.09   0.02     0.00  -0.00   0.00    -0.00  -0.06  -0.02
    48   6     0.02   0.08   0.01    -0.00  -0.00   0.00    -0.03   0.04   0.01
    49   6    -0.08  -0.06   0.01     0.01   0.00  -0.00     0.05  -0.02  -0.01
    50   6     0.06   0.08   0.00    -0.00  -0.00   0.00    -0.01  -0.02  -0.00
    51   6    -0.08  -0.02   0.01     0.00   0.00  -0.00    -0.02   0.02   0.01
    52   6    -0.11  -0.03  -0.02    -0.01  -0.00  -0.00     0.01   0.03   0.01
    53   6     0.14  -0.06  -0.00     0.02  -0.01  -0.00     0.01  -0.03  -0.01
    54   6    -0.16   0.03  -0.01    -0.02   0.00  -0.00    -0.01  -0.00  -0.00
    55   6     0.08  -0.09  -0.02     0.01  -0.01  -0.00     0.00   0.02   0.00
    56   6    -0.09   0.01  -0.01     0.01   0.01   0.00    -0.04  -0.07  -0.02
    57   6     0.10  -0.08  -0.01    -0.01  -0.00  -0.00     0.00   0.05   0.01
    58   6    -0.16   0.03  -0.00     0.02   0.00   0.00    -0.03  -0.03  -0.01
    59   6     0.08  -0.03  -0.00    -0.01  -0.00  -0.00     0.04   0.06   0.02
    60   6    -0.08   0.01  -0.00     0.00   0.00   0.00     0.00   0.03   0.01
    61   6     0.15  -0.06  -0.00    -0.01   0.00  -0.00     0.00  -0.01  -0.00
    62   6    -0.14  -0.02  -0.02     0.01   0.00   0.00     0.01   0.02   0.01
    63   6     0.08  -0.04  -0.00    -0.00  -0.00  -0.00    -0.00  -0.03  -0.01
    64   6    -0.03  -0.05  -0.00     0.00   0.00   0.00    -0.02   0.03   0.01
    65   6     0.08   0.03  -0.01    -0.00  -0.00   0.00     0.02  -0.01  -0.01
    66   6    -0.06  -0.08  -0.00     0.00   0.00   0.00    -0.00   0.02   0.00
    67   6     0.04   0.03  -0.00    -0.00  -0.00  -0.00     0.01  -0.03  -0.01
    68   6    -0.03  -0.04  -0.00     0.00   0.00  -0.00     0.05  -0.03  -0.02
    69   6     0.08   0.06  -0.00    -0.01  -0.00   0.00    -0.04   0.00   0.01
    70   6    -0.03  -0.08  -0.01     0.00   0.00  -0.00     0.02  -0.04  -0.01
    71   6     0.05   0.03  -0.00    -0.01   0.00   0.00    -0.06   0.04   0.02
    72   6     0.08  -0.01   0.01     0.01   0.00   0.00     0.01   0.02   0.01
    73   6    -0.10   0.08   0.01    -0.01   0.01   0.00    -0.00  -0.02  -0.00
    74   6     0.15  -0.03   0.00     0.02  -0.00   0.00     0.01   0.01   0.00
    75   6    -0.07   0.03   0.00    -0.01   0.00  -0.00    -0.01  -0.02  -0.01
    76   6     0.07  -0.02   0.00     0.01  -0.01  -0.00    -0.00  -0.04  -0.01
    77   6    -0.14   0.05   0.00    -0.02   0.01   0.00    -0.01   0.02   0.00
    78   6     0.12   0.02   0.02     0.01  -0.00   0.00    -0.01  -0.02  -0.01
    79   6    -0.07   0.04   0.00    -0.01   0.01   0.00     0.00   0.05   0.01
    80   1    -0.03  -0.02   0.00     0.71   0.31  -0.02     0.13   0.01  -0.00
    81   1     0.02   0.01  -0.00    -0.02  -0.06  -0.00    -0.08  -0.32   0.00
    82   1    -0.01  -0.00  -0.00     0.01   0.03   0.00    -0.00   0.18  -0.00
    83   1    -0.01  -0.01  -0.00    -0.03   0.01   0.00    -0.22   0.01   0.01
    84   1    -0.01  -0.02  -0.00     0.06  -0.06  -0.00    -0.22   0.23   0.00
    85   1     0.02  -0.01  -0.00     0.07   0.06   0.00    -0.18  -0.11  -0.01
    86   1     0.02  -0.01  -0.00    -0.18   0.20   0.00     0.14  -0.20   0.00
    87   1     0.00   0.00   0.00    -0.11  -0.13   0.01     0.04   0.01   0.00
    88   1    -0.00   0.00   0.00     0.08  -0.08   0.00    -0.01   0.04   0.00
    89   1     0.02   0.01   0.00    -0.18   0.03  -0.00    -0.09  -0.00  -0.00
    90   1     0.07  -0.02   0.01    -0.05   0.04  -0.02     0.09  -0.10   0.06
    91   1     0.05  -0.02   0.01     0.02   0.02  -0.02    -0.10  -0.04   0.05
    92   1    -0.06   0.01   0.01     0.04  -0.03   0.02    -0.08   0.10  -0.06
    93   1    -0.07   0.01   0.01    -0.03  -0.02   0.02     0.13   0.04  -0.07
    94   1    -0.03  -0.04   0.00     0.01   0.02  -0.01     0.03   0.09  -0.05
    95   1    -0.03  -0.03   0.01    -0.00   0.00  -0.00    -0.07  -0.01  -0.03
    96   1     0.03   0.02   0.01    -0.01  -0.02   0.01    -0.02  -0.09   0.04
    97   1     0.04   0.03   0.00     0.01  -0.00   0.01     0.09   0.02   0.06
    98   1     0.06  -0.01  -0.01     0.04  -0.00  -0.00     0.05   0.01  -0.02
    99   1     0.05  -0.01  -0.01     0.02   0.01  -0.01    -0.02   0.03  -0.02
   100   1    -0.04   0.02  -0.01    -0.05  -0.00   0.01    -0.04  -0.02   0.02
   101   1    -0.06   0.02  -0.01    -0.01  -0.01   0.02     0.03  -0.04   0.03
   102   1    -0.05   0.08   0.02    -0.01  -0.02  -0.01     0.06   0.09   0.03
   103   1    -0.04   0.17   0.04    -0.00  -0.01  -0.00     0.05  -0.03  -0.00
   104   1     0.21   0.02   0.02    -0.02   0.00  -0.00     0.04  -0.03  -0.01
   105   1     0.07  -0.05  -0.01    -0.00   0.01   0.00    -0.05  -0.07  -0.02
   106   1    -0.09  -0.01  -0.01     0.01   0.00   0.00     0.00  -0.04  -0.01
   107   1    -0.18   0.13   0.02     0.01  -0.01  -0.00    -0.02  -0.00  -0.00
   108   1     0.12   0.13   0.05    -0.01  -0.01  -0.00    -0.02   0.00  -0.00
   109   1     0.09   0.05   0.02    -0.01   0.01   0.00    -0.00   0.03   0.01
   110   1    -0.06   0.00   0.01     0.00   0.00  -0.00     0.01  -0.03  -0.01
   111   1    -0.10   0.03   0.03     0.00  -0.00  -0.00    -0.02  -0.01   0.00
   112   1     0.06   0.12   0.01    -0.00  -0.01  -0.00    -0.02  -0.01   0.00
   113   1     0.05   0.02  -0.01    -0.00   0.00   0.00    -0.02   0.03   0.01
   114   1    -0.02  -0.05  -0.00    -0.00   0.00   0.00    -0.06   0.03   0.02
   115   1    -0.12  -0.06   0.01     0.01   0.01  -0.00     0.02   0.04   0.00
   116   1    -0.03   0.10   0.03     0.00  -0.00  -0.00     0.03   0.04   0.00
   117   1    -0.00   0.06   0.01     0.01  -0.01  -0.00     0.08  -0.04  -0.02
   118   1     0.04  -0.08  -0.02     0.00  -0.01  -0.00    -0.01  -0.02  -0.01
   119   1     0.03  -0.16  -0.04     0.00  -0.02  -0.01    -0.01   0.01   0.00
   120   1    -0.20  -0.01  -0.02    -0.03   0.00  -0.00    -0.01   0.01   0.00
   121   1    -0.07   0.05   0.01    -0.01   0.01   0.00     0.02   0.02   0.01
   122   1     0.08   0.01   0.01     0.01   0.01   0.00    -0.00   0.04   0.01
   123   1     0.16  -0.12  -0.02     0.02  -0.01  -0.00     0.03   0.00   0.00
   124   1    -0.11  -0.11  -0.04    -0.01  -0.01  -0.00     0.03  -0.00   0.00
   125   1    -0.08  -0.04  -0.02    -0.01  -0.01  -0.00     0.00  -0.06  -0.01
   126  17     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
                    316                    317                    318
                      A                      A                      A
 Frequencies --   1651.5956              1651.6759              1651.8036
 Red. masses --      6.5975                 6.6017                 6.4280
 Frc consts  --     10.6032                10.6110                10.3334
 IR Inten    --     34.9856                13.4755                47.7958
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.01  -0.00     0.01   0.00   0.00     0.01   0.05  -0.00
     2   6     0.01   0.02  -0.00    -0.00  -0.01  -0.00    -0.01  -0.06   0.00
     3   6    -0.01  -0.01   0.00     0.01   0.00  -0.00     0.01   0.04  -0.00
     4   6     0.01   0.01  -0.00    -0.00  -0.00   0.00    -0.00  -0.03   0.00
     5   6    -0.01  -0.02   0.00     0.00   0.00  -0.00     0.03   0.06  -0.00
     6   6     0.02   0.01  -0.00    -0.01  -0.00   0.00    -0.04  -0.04   0.00
     7   6    -0.00   0.01   0.00    -0.00  -0.00   0.00     0.03  -0.03   0.00
     8   6     0.00  -0.01   0.00     0.00   0.00  -0.00    -0.02   0.02  -0.00
     9   6    -0.00  -0.00   0.00    -0.01  -0.01   0.00    -0.01  -0.01   0.00
    10   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    11   6     0.01  -0.01   0.00    -0.00   0.00  -0.00    -0.05   0.05  -0.00
    12   6    -0.00   0.01  -0.00     0.00  -0.00  -0.00     0.04  -0.03   0.00
    13   6     0.01  -0.01   0.00    -0.00   0.00   0.00    -0.06   0.01  -0.00
    14   6    -0.01   0.01   0.00     0.00  -0.00   0.00     0.05  -0.03   0.00
    15   7     0.00   0.00  -0.00     0.00   0.00  -0.00     0.01   0.01  -0.00
    16   6     0.00  -0.00   0.00     0.01  -0.01   0.00    -0.01  -0.01   0.00
    17   6    -0.00   0.00  -0.00    -0.01   0.01   0.00     0.01   0.01  -0.00
    18   7    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    19   6    -0.01   0.00  -0.00    -0.02   0.00   0.00     0.01   0.00  -0.00
    20   6     0.01  -0.00   0.00     0.01  -0.01   0.00    -0.01  -0.00   0.00
    21   6    -0.01  -0.00  -0.00    -0.01   0.00  -0.00     0.02   0.01  -0.00
    22   6     0.01   0.00   0.00     0.01  -0.00   0.00    -0.02  -0.01   0.00
    23   6     0.02  -0.00   0.01    -0.01   0.01  -0.01     0.00  -0.04   0.02
    24   6    -0.00  -0.03   0.02    -0.00  -0.00   0.00    -0.03   0.03  -0.01
    25   6     0.00  -0.00   0.00     0.00  -0.03   0.02    -0.02  -0.01   0.01
    26   6    -0.02   0.02  -0.01    -0.00   0.00  -0.00     0.05  -0.03   0.02
    27   6    -0.00  -0.02   0.01    -0.00  -0.00   0.00    -0.03   0.02  -0.00
    28   6     0.01   0.05  -0.03     0.00   0.01  -0.00     0.02  -0.04   0.02
    29   6     0.00  -0.03   0.02    -0.00  -0.00   0.00    -0.04   0.03  -0.02
    30   6     0.01   0.01  -0.01     0.00   0.00  -0.00     0.03  -0.01   0.00
    31   6    -0.01   0.00  -0.01     0.00  -0.01   0.01     0.01   0.05  -0.02
    32   6     0.02  -0.00   0.01    -0.01   0.00  -0.01    -0.01  -0.03   0.01
    33   6    -0.03   0.02  -0.02     0.02  -0.01   0.01    -0.02   0.05  -0.03
    34   6     0.01  -0.00   0.01    -0.01   0.00  -0.01    -0.01  -0.04   0.02
    35   6    -0.02  -0.01  -0.01     0.01   0.00   0.01     0.00   0.02  -0.01
    36   6    -0.00   0.00  -0.00     0.01   0.01  -0.01     0.02   0.01  -0.01
    37   6     0.00  -0.00   0.00     0.01  -0.03   0.02    -0.01  -0.01   0.01
    38   6    -0.00   0.00  -0.00     0.01   0.05  -0.03     0.01   0.02  -0.01
    39   6     0.00  -0.00   0.00    -0.00  -0.02   0.01    -0.02  -0.01   0.01
    40   6    -0.01   0.00  -0.00    -0.02   0.03  -0.02     0.01   0.00  -0.00
    41   7     0.02  -0.02  -0.01    -0.02   0.02   0.00     0.03  -0.03  -0.01
    42   7    -0.01  -0.05  -0.01    -0.00  -0.01  -0.00     0.01   0.03   0.00
    43   7    -0.00  -0.00  -0.00    -0.02  -0.05  -0.01    -0.01  -0.02  -0.00
    44   6     0.07   0.15   0.05     0.01   0.03   0.01    -0.04  -0.09  -0.03
    45   6     0.04  -0.14  -0.03     0.01  -0.02  -0.01    -0.02   0.09   0.02
    46   6    -0.10  -0.10  -0.04    -0.02  -0.02  -0.01     0.05   0.04   0.02
    47   6     0.01   0.17   0.05     0.00   0.03   0.01    -0.01  -0.08  -0.02
    48   6    -0.06   0.09   0.03     0.04  -0.06  -0.02    -0.08   0.11   0.04
    49   6     0.09  -0.02  -0.02    -0.06   0.02   0.02     0.11  -0.03  -0.03
    50   6     0.02  -0.08  -0.02    -0.01   0.06   0.01     0.03  -0.12  -0.03
    51   6    -0.08   0.06   0.03     0.06  -0.04  -0.02    -0.12   0.08   0.04
    52   6     0.01   0.02   0.01     0.08   0.16   0.05     0.03   0.06   0.02
    53   6     0.00  -0.02  -0.00     0.04  -0.15  -0.04     0.02  -0.06  -0.01
    54   6    -0.01  -0.01  -0.00    -0.11  -0.10  -0.04    -0.05  -0.05  -0.02
    55   6     0.00   0.02   0.00     0.02   0.18   0.05     0.01   0.08   0.02
    56   6     0.10   0.19   0.06     0.02   0.03   0.01    -0.05  -0.09  -0.03
    57   6    -0.00  -0.14  -0.04    -0.00  -0.02  -0.01    -0.00   0.07   0.02
    58   6     0.08   0.07   0.03     0.01   0.01   0.00    -0.04  -0.04  -0.01
    59   6    -0.09  -0.17  -0.06    -0.02  -0.03  -0.01     0.04   0.08   0.03
    60   6    -0.01  -0.19  -0.06    -0.00  -0.03  -0.01     0.00   0.11   0.03
    61   6    -0.03   0.10   0.03    -0.01   0.02   0.00     0.02  -0.06  -0.02
    62   6    -0.07  -0.13  -0.04    -0.01  -0.02  -0.01     0.04   0.07   0.02
    63   6     0.00   0.22   0.06     0.00   0.04   0.01    -0.00  -0.13  -0.04
    64   6    -0.07   0.11   0.03     0.05  -0.09  -0.03    -0.10   0.16   0.05
    65   6     0.08  -0.05  -0.02    -0.06   0.03   0.02     0.11  -0.06  -0.04
    66   6    -0.01   0.06   0.01     0.01  -0.05  -0.01    -0.02   0.09   0.02
    67   6     0.06  -0.10  -0.03    -0.05   0.07   0.02     0.09  -0.14  -0.05
    68   6     0.10  -0.06  -0.03    -0.08   0.05   0.03     0.13  -0.08  -0.04
    69   6    -0.07   0.01   0.02     0.05  -0.01  -0.01    -0.08   0.02   0.02
    70   6     0.05  -0.08  -0.02    -0.03   0.06   0.02     0.06  -0.10  -0.03
    71   6    -0.12   0.07   0.04     0.09  -0.05  -0.03    -0.15   0.09   0.05
    72   6     0.01   0.02   0.01     0.12   0.20   0.06     0.05   0.09   0.03
    73   6    -0.00  -0.02  -0.00    -0.01  -0.16  -0.04    -0.00  -0.07  -0.02
    74   6     0.01   0.01   0.00     0.08   0.07   0.03     0.04   0.03   0.01
    75   6    -0.01  -0.02  -0.01    -0.10  -0.18  -0.06    -0.04  -0.08  -0.02
    76   6    -0.00  -0.02  -0.01    -0.01  -0.21  -0.06    -0.01  -0.08  -0.02
    77   6    -0.00   0.01   0.00    -0.03   0.11   0.03    -0.01   0.04   0.01
    78   6    -0.01  -0.01  -0.00    -0.08  -0.14  -0.04    -0.03  -0.05  -0.02
    79   6     0.00   0.03   0.01     0.01   0.24   0.06     0.00   0.09   0.02
    80   1    -0.01  -0.01   0.00    -0.01  -0.01   0.00    -0.06  -0.01   0.00
    81   1    -0.01  -0.04  -0.00     0.00   0.01   0.00     0.03   0.12  -0.00
    82   1    -0.00   0.02  -0.00     0.00  -0.01   0.00    -0.00  -0.07   0.00
    83   1    -0.03  -0.00  -0.00     0.01   0.00   0.00     0.08  -0.01  -0.00
    84   1    -0.02   0.01  -0.00     0.01  -0.01  -0.00     0.09  -0.09   0.00
    85   1    -0.01  -0.01  -0.00     0.00   0.00  -0.00     0.07   0.05   0.00
    86   1     0.02  -0.02  -0.00     0.00  -0.00   0.00    -0.06   0.08  -0.00
    87   1     0.01   0.01  -0.00     0.02   0.01  -0.00    -0.01   0.00  -0.00
    88   1    -0.01   0.01  -0.00    -0.01   0.02  -0.00     0.00  -0.01  -0.00
    89   1    -0.01  -0.00  -0.00    -0.02  -0.01  -0.00     0.03  -0.00   0.00
    90   1     0.04  -0.02   0.01     0.01  -0.00   0.00    -0.06   0.05  -0.03
    91   1     0.01  -0.02   0.02     0.00  -0.00   0.00     0.03   0.03  -0.03
    92   1    -0.03   0.00   0.01    -0.00  -0.00   0.00     0.05  -0.04   0.02
    93   1    -0.03   0.01   0.00    -0.01   0.00   0.00    -0.03  -0.02   0.03
    94   1    -0.01  -0.00  -0.00     0.01   0.01  -0.00    -0.03  -0.07   0.03
    95   1    -0.02  -0.01   0.00     0.01   0.01  -0.00     0.02  -0.02   0.03
    96   1     0.01  -0.01   0.01    -0.01   0.00  -0.01     0.03   0.05  -0.01
    97   1     0.03   0.02   0.01    -0.02  -0.01  -0.01    -0.01   0.01  -0.02
    98   1     0.00   0.00  -0.00    -0.03   0.01   0.00    -0.04  -0.00   0.01
    99   1    -0.00   0.00  -0.00    -0.03   0.01   0.01    -0.00  -0.01   0.01
   100   1    -0.00  -0.00   0.00     0.00  -0.02   0.02     0.02  -0.00  -0.00
   101   1     0.01  -0.01   0.00     0.04  -0.03   0.01     0.01   0.01  -0.01
   102   1    -0.15  -0.21  -0.07    -0.03  -0.04  -0.01     0.07   0.10   0.03
   103   1    -0.14   0.08   0.01    -0.02   0.01   0.00     0.07  -0.04  -0.00
   104   1    -0.10   0.09   0.02    -0.02   0.01   0.00     0.05  -0.04  -0.01
   105   1     0.14   0.18   0.07     0.02   0.03   0.01    -0.07  -0.09  -0.03
   106   1    -0.03   0.23   0.06    -0.00   0.04   0.01     0.02  -0.13  -0.04
   107   1     0.13   0.03   0.02     0.02   0.00   0.00    -0.07  -0.01  -0.01
   108   1     0.16  -0.00   0.01     0.03  -0.00   0.00    -0.10   0.00  -0.01
   109   1     0.02  -0.26  -0.07     0.00  -0.04  -0.01    -0.01   0.16   0.04
   110   1     0.07  -0.14  -0.04    -0.05   0.11   0.03     0.10  -0.21  -0.06
   111   1    -0.09  -0.05   0.01     0.06   0.04  -0.01    -0.12  -0.07   0.01
   112   1    -0.08  -0.03   0.01     0.06   0.02  -0.01    -0.11  -0.04   0.02
   113   1    -0.05   0.13   0.04     0.04  -0.10  -0.03    -0.08   0.18   0.05
   114   1    -0.13   0.06   0.04     0.10  -0.04  -0.03    -0.17   0.07   0.05
   115   1     0.03   0.08   0.01    -0.02  -0.06  -0.01     0.03   0.10   0.01
   116   1     0.05   0.09   0.00    -0.04  -0.06  -0.00     0.07   0.11   0.01
   117   1     0.15  -0.07  -0.04    -0.11   0.05   0.03     0.19  -0.09  -0.05
   118   1    -0.02  -0.02  -0.01    -0.16  -0.22  -0.07    -0.07  -0.10  -0.03
   119   1    -0.01   0.01   0.00    -0.15   0.09   0.01    -0.06   0.04   0.00
   120   1    -0.01   0.01   0.00    -0.10   0.09   0.02    -0.04   0.04   0.01
   121   1     0.01   0.02   0.01     0.15   0.19   0.07     0.07   0.08   0.03
   122   1    -0.00   0.03   0.01    -0.02   0.25   0.07    -0.01   0.10   0.03
   123   1     0.02   0.00   0.00     0.14   0.02   0.02     0.05   0.01   0.01
   124   1     0.02  -0.00   0.00     0.18  -0.01   0.01     0.07  -0.00   0.01
   125   1     0.00  -0.03  -0.01     0.01  -0.29  -0.07     0.01  -0.11  -0.03
   126  17     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
                    319                    320                    321
                      A                      A                      A
 Frequencies --   1656.2427              1657.5585              1662.4382
 Red. masses --      5.8097                 5.6253                 5.7348
 Frc consts  --      9.3896                 9.1062                 9.3382
 IR Inten    --    254.9398               146.0732                14.3656
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.06   0.00    -0.03  -0.07   0.00     0.02   0.07  -0.00
     2   6     0.03   0.07  -0.00     0.02   0.07  -0.00    -0.03  -0.12   0.00
     3   6    -0.04  -0.04   0.00    -0.03  -0.04   0.00     0.03   0.08  -0.00
     4   6     0.03   0.04  -0.00    -0.00   0.04  -0.00    -0.02  -0.06   0.00
     5   6    -0.04  -0.07   0.00    -0.03  -0.08   0.00     0.06   0.11  -0.00
     6   6     0.06   0.05  -0.00     0.05   0.05  -0.00    -0.09  -0.07   0.00
     7   6     0.02   0.02  -0.00     0.04  -0.01   0.00     0.06  -0.05   0.00
     8   6    -0.02  -0.01   0.00    -0.01   0.03  -0.00    -0.04   0.03  -0.00
     9   6     0.03   0.02  -0.00    -0.07  -0.06   0.00     0.00  -0.00   0.00
    10   6    -0.03  -0.02   0.00     0.06  -0.00   0.00     0.00   0.01  -0.00
    11   6     0.00  -0.01   0.00    -0.05   0.04   0.00    -0.09   0.08  -0.00
    12   6     0.01   0.01  -0.00     0.05  -0.03   0.00     0.05  -0.05   0.00
    13   6    -0.01  -0.00  -0.00    -0.05   0.01  -0.00    -0.11   0.01   0.00
    14   6     0.01   0.00  -0.00     0.04  -0.04   0.00     0.10  -0.06   0.00
    15   7    -0.00  -0.01   0.00     0.08   0.06  -0.00     0.00  -0.00   0.00
    16   6    -0.06  -0.00   0.00    -0.01  -0.05   0.00    -0.01  -0.00   0.00
    17   6     0.07  -0.01  -0.00    -0.01   0.06  -0.00     0.01   0.00   0.00
    18   7     0.00   0.00  -0.00    -0.05  -0.01   0.00    -0.00  -0.00   0.00
    19   6     0.12  -0.01   0.00    -0.08   0.03  -0.00     0.02  -0.00   0.00
    20   6    -0.11   0.04   0.00     0.08  -0.05   0.00    -0.02   0.01  -0.00
    21   6     0.12   0.03  -0.00    -0.07   0.01   0.00     0.01   0.01  -0.00
    22   6    -0.12  -0.03  -0.00     0.05   0.00   0.00    -0.02  -0.01   0.00
    23   6     0.05   0.06  -0.01     0.07   0.08  -0.01     0.08   0.06   0.01
    24   6    -0.03   0.01   0.00    -0.11   0.04  -0.00     0.09  -0.01  -0.01
    25   6    -0.16   0.02   0.01     0.08  -0.01  -0.00     0.01  -0.01   0.00
    26   6     0.05  -0.02   0.01     0.14  -0.07   0.03    -0.13   0.06  -0.02
    27   6    -0.05   0.00   0.01    -0.15   0.01   0.02     0.15  -0.01  -0.02
    28   6     0.03  -0.01  -0.00     0.09  -0.03   0.00    -0.10   0.02   0.00
    29   6    -0.05   0.02  -0.01    -0.14   0.07  -0.03     0.13  -0.06   0.02
    30   6     0.05  -0.00  -0.01     0.16  -0.01  -0.02    -0.15   0.00   0.03
    31   6    -0.06  -0.09   0.02    -0.08  -0.12   0.03    -0.10  -0.14   0.03
    32   6     0.08   0.06   0.01     0.11   0.08   0.02     0.15   0.09   0.03
    33   6    -0.04  -0.05   0.00    -0.06  -0.06   0.01    -0.09  -0.07  -0.00
    34   6     0.05   0.08  -0.02     0.08   0.12  -0.03     0.10   0.14  -0.03
    35   6    -0.08  -0.06  -0.01    -0.12  -0.08  -0.02    -0.15  -0.09  -0.03
    36   6     0.22  -0.01  -0.04    -0.10   0.01   0.02    -0.02   0.00   0.00
    37   6    -0.18   0.09  -0.03     0.08  -0.04   0.01     0.02  -0.01   0.00
    38   6     0.13  -0.02  -0.01    -0.06   0.01   0.00    -0.01   0.01  -0.00
    39   6    -0.22   0.01   0.04     0.10  -0.01  -0.02     0.02  -0.00  -0.00
    40   6     0.19  -0.09   0.03    -0.09   0.04  -0.01    -0.02   0.01  -0.00
    41   7     0.00   0.00   0.00     0.00   0.00   0.00     0.01   0.01  -0.00
    42   7    -0.00  -0.00  -0.00    -0.01   0.00   0.00     0.01  -0.00   0.00
    43   7    -0.01  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    44   6    -0.01  -0.01  -0.00    -0.02  -0.03  -0.01     0.01   0.04   0.01
    45   6    -0.00   0.02   0.01     0.00   0.05   0.01     0.00  -0.05  -0.01
    46   6    -0.01  -0.02  -0.01    -0.02  -0.04  -0.01     0.03   0.05   0.01
    47   6     0.00   0.01   0.00     0.00   0.03   0.01    -0.01  -0.04  -0.01
    48   6    -0.01   0.01   0.01    -0.02   0.02   0.01    -0.03   0.04   0.02
    49   6     0.02  -0.01  -0.01     0.04  -0.02  -0.01     0.06  -0.03  -0.02
    50   6    -0.02   0.03   0.01    -0.02   0.04   0.01    -0.03   0.05   0.02
    51   6     0.02  -0.01  -0.01     0.03  -0.02  -0.01     0.04  -0.03  -0.01
    52   6    -0.02  -0.03  -0.01     0.01   0.02   0.01     0.00   0.01   0.00
    53   6     0.00   0.06   0.01    -0.00  -0.03  -0.01    -0.00  -0.01  -0.00
    54   6    -0.04  -0.06  -0.02     0.02   0.03   0.01     0.00   0.01   0.00
    55   6     0.00   0.06   0.02    -0.00  -0.03  -0.01    -0.00  -0.00  -0.00
    56   6     0.01   0.02   0.01     0.02   0.04   0.01    -0.03  -0.05  -0.01
    57   6    -0.00  -0.01  -0.00    -0.00  -0.02  -0.01     0.00   0.03   0.01
    58   6     0.01   0.00   0.00     0.02   0.01   0.01    -0.02  -0.02  -0.01
    59   6    -0.01  -0.01  -0.00    -0.02  -0.03  -0.01     0.02   0.04   0.01
    60   6    -0.00   0.01   0.00    -0.00   0.04   0.01     0.00  -0.05  -0.01
    61   6     0.00  -0.01  -0.00     0.01  -0.02  -0.01    -0.01   0.03   0.01
    62   6     0.00   0.01   0.00     0.01   0.03   0.01    -0.01  -0.03  -0.01
    63   6     0.00  -0.02  -0.00    -0.00  -0.05  -0.01    -0.00   0.05   0.01
    64   6     0.02  -0.03  -0.01     0.02  -0.04  -0.01     0.03  -0.05  -0.02
    65   6    -0.01   0.01   0.01    -0.02   0.02   0.01    -0.02   0.02   0.01
    66   6     0.00  -0.02  -0.00     0.00  -0.03  -0.00     0.00  -0.03  -0.01
    67   6    -0.01   0.02   0.01    -0.02   0.04   0.01    -0.03   0.05   0.01
    68   6     0.02  -0.01  -0.01     0.03  -0.02  -0.01     0.05  -0.03  -0.02
    69   6    -0.01  -0.00   0.00    -0.02  -0.00   0.00    -0.03   0.00   0.01
    70   6     0.01  -0.01  -0.00     0.01  -0.02  -0.01     0.02  -0.03  -0.01
    71   6    -0.02   0.01   0.01    -0.04   0.02   0.01    -0.05   0.03   0.02
    72   6     0.04   0.06   0.02    -0.02  -0.03  -0.01    -0.00  -0.00  -0.00
    73   6    -0.00  -0.04  -0.01     0.00   0.02   0.01     0.00   0.00   0.00
    74   6     0.03   0.02   0.01    -0.01  -0.01  -0.00    -0.00  -0.00  -0.00
    75   6    -0.03  -0.05  -0.02     0.02   0.03   0.01     0.00   0.00   0.00
    76   6    -0.00   0.04   0.01     0.00  -0.02  -0.01    -0.00  -0.01  -0.00
    77   6     0.01  -0.02  -0.01    -0.01   0.01   0.00    -0.00   0.00   0.00
    78   6     0.01   0.02   0.01    -0.00  -0.01  -0.00    -0.00  -0.00  -0.00
    79   6    -0.00  -0.05  -0.01     0.00   0.03   0.01     0.00   0.01   0.00
    80   1    -0.01   0.01  -0.00    -0.27  -0.12   0.00    -0.00   0.02  -0.00
    81   1    -0.02  -0.12  -0.00    -0.02  -0.11  -0.00     0.06   0.21  -0.01
    82   1    -0.00   0.10  -0.00     0.01   0.10  -0.00     0.00  -0.13   0.00
    83   1    -0.11   0.00   0.00    -0.08   0.01   0.01     0.15  -0.01   0.00
    84   1    -0.03   0.02  -0.00     0.06  -0.07  -0.01     0.15  -0.15   0.01
    85   1     0.01   0.00   0.00     0.05   0.04   0.01     0.12   0.07  -0.00
    86   1    -0.01   0.02  -0.00    -0.04   0.05  -0.00    -0.10   0.14  -0.00
    87   1    -0.15  -0.07   0.00     0.12   0.08  -0.00    -0.02  -0.01   0.00
    88   1     0.06  -0.16  -0.01    -0.06   0.12   0.00     0.01  -0.02   0.00
    89   1     0.16   0.02   0.01    -0.05  -0.01  -0.00     0.03   0.00  -0.00
    90   1    -0.04   0.05  -0.03    -0.13   0.15  -0.09     0.10  -0.13   0.08
    91   1     0.06   0.02  -0.03     0.16   0.07  -0.08    -0.17  -0.06   0.08
    92   1     0.03  -0.05   0.03     0.11  -0.14   0.08    -0.10   0.13  -0.08
    93   1    -0.06  -0.02   0.03    -0.18  -0.06   0.09     0.16   0.06  -0.07
    94   1     0.03   0.12  -0.06     0.04   0.17  -0.08     0.03   0.19  -0.10
    95   1    -0.11  -0.01  -0.05    -0.15  -0.02  -0.07    -0.20  -0.04  -0.09
    96   1    -0.02  -0.12   0.06    -0.03  -0.16   0.08    -0.02  -0.18   0.09
    97   1     0.12   0.02   0.06     0.17   0.03   0.08     0.19   0.04   0.08
    98   1    -0.26  -0.07   0.12     0.12   0.03  -0.06     0.02   0.01  -0.01
    99   1     0.12  -0.19   0.11    -0.05   0.08  -0.05    -0.02   0.02  -0.01
   100   1     0.24   0.08  -0.11    -0.11  -0.04   0.05    -0.02  -0.01   0.01
   101   1    -0.15   0.20  -0.13     0.07  -0.09   0.06     0.01  -0.02   0.01
   102   1    -0.01  -0.02  -0.01    -0.03  -0.05  -0.02     0.04   0.06   0.02
   103   1    -0.01   0.00   0.00    -0.03   0.01   0.00     0.03  -0.02  -0.00
   104   1    -0.01   0.01   0.00    -0.02   0.01   0.00     0.02  -0.02  -0.00
   105   1     0.01   0.01   0.01     0.03   0.04   0.01    -0.04  -0.05  -0.02
   106   1     0.00  -0.02  -0.01     0.01  -0.05  -0.02    -0.00   0.06   0.02
   107   1    -0.01  -0.00  -0.00    -0.03  -0.00  -0.00     0.03   0.00   0.00
   108   1    -0.01   0.00  -0.00    -0.03   0.00  -0.00     0.03  -0.00   0.00
   109   1    -0.00   0.03   0.01    -0.00   0.08   0.02     0.00  -0.08  -0.02
   110   1    -0.02   0.04   0.01    -0.03   0.06   0.02    -0.04   0.08   0.02
   111   1     0.02   0.01  -0.00     0.03   0.02  -0.00     0.03   0.02  -0.00
   112   1     0.02   0.01  -0.00     0.03   0.01  -0.00     0.03   0.02  -0.00
   113   1     0.01  -0.03  -0.01     0.02  -0.04  -0.01     0.03  -0.06  -0.02
   114   1    -0.02   0.01   0.01    -0.04   0.02   0.01    -0.07   0.03   0.02
   115   1     0.01   0.01   0.00     0.01   0.02   0.00     0.01   0.03   0.00
   116   1     0.01   0.01   0.00     0.02   0.02   0.00     0.02   0.03   0.00
   117   1     0.03  -0.02  -0.01     0.05  -0.03  -0.02     0.08  -0.04  -0.02
   118   1    -0.06  -0.09  -0.03     0.03   0.04   0.01     0.00   0.01   0.00
   119   1    -0.04   0.02   0.00     0.02  -0.01  -0.00     0.00  -0.00  -0.00
   120   1    -0.03   0.03   0.01     0.02  -0.01  -0.00     0.00  -0.00  -0.00
   121   1     0.05   0.06   0.02    -0.02  -0.03  -0.01    -0.00  -0.01  -0.00
   122   1     0.00  -0.05  -0.01    -0.00   0.03   0.01    -0.00   0.01   0.00
   123   1    -0.03   0.00  -0.00     0.02  -0.00   0.00     0.00   0.00   0.00
   124   1    -0.03   0.01  -0.00     0.02  -0.00   0.00     0.00  -0.00   0.00
   125   1    -0.00   0.08   0.02     0.00  -0.04  -0.01     0.00  -0.01  -0.00
   126  17    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
                    322                    323                    324
                      A                      A                      A
 Frequencies --   1666.5590              1669.7666              1674.0800
 Red. masses --      6.0570                 6.1633                 6.6533
 Frc consts  --      9.9118                10.1246                10.9860
 IR Inten    --     11.2372                21.5836                 5.3103
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.05  -0.00     0.04   0.10  -0.00    -0.00  -0.01   0.00
     2   6    -0.03  -0.08   0.00    -0.06  -0.15   0.00     0.01   0.01  -0.00
     3   6     0.04   0.04  -0.00     0.12   0.09  -0.00    -0.01  -0.01   0.00
     4   6     0.01  -0.04   0.00    -0.06  -0.10   0.00     0.01   0.01  -0.00
     5   6     0.03   0.08  -0.00     0.09   0.17  -0.00    -0.01  -0.02   0.00
     6   6    -0.05  -0.05   0.00    -0.13  -0.10   0.00     0.01   0.01  -0.00
     7   6    -0.08   0.04  -0.00    -0.14   0.01  -0.00     0.02  -0.01  -0.00
     8   6     0.02  -0.06   0.00     0.09  -0.04   0.00    -0.01   0.01  -0.00
     9   6     0.07   0.06  -0.00     0.01   0.02  -0.00    -0.00  -0.00   0.00
    10   6    -0.08  -0.01   0.00    -0.00   0.04  -0.00     0.00  -0.00   0.00
    11   6     0.09  -0.09   0.00     0.12  -0.09   0.00    -0.02   0.02  -0.00
    12   6    -0.06   0.06  -0.00    -0.09   0.05  -0.00     0.01  -0.01   0.00
    13   6     0.10  -0.02   0.00     0.16  -0.02   0.00    -0.03   0.00   0.00
    14   6    -0.10   0.08  -0.00    -0.15   0.09  -0.00     0.03  -0.02   0.00
    15   7    -0.05  -0.05   0.00    -0.07  -0.02   0.00     0.01   0.00  -0.00
    16   6    -0.09   0.02  -0.00     0.11   0.04  -0.00    -0.00  -0.00   0.00
    17   6     0.12  -0.05   0.00    -0.12  -0.03   0.00    -0.00   0.00  -0.00
    18   7     0.04   0.00  -0.00     0.04   0.01  -0.00    -0.01  -0.00  -0.00
    19   6     0.24  -0.03   0.00    -0.14  -0.01   0.00    -0.01   0.00  -0.00
    20   6    -0.21   0.10  -0.00     0.11  -0.04   0.00     0.01  -0.00   0.00
    21   6     0.18   0.05  -0.00    -0.11  -0.05   0.00    -0.00  -0.00   0.00
    22   6    -0.22  -0.05   0.00     0.15   0.04  -0.00     0.00   0.00  -0.00
    23   6     0.02   0.01   0.00     0.02   0.01   0.01    -0.02  -0.01  -0.00
    24   6    -0.02  -0.01   0.01    -0.02  -0.00   0.00     0.07  -0.02  -0.00
    25   6     0.03  -0.04   0.02    -0.01   0.03  -0.01    -0.01   0.00  -0.00
    26   6     0.05  -0.02   0.01     0.05  -0.03   0.01    -0.10   0.05  -0.02
    27   6    -0.06   0.00   0.01    -0.07   0.00   0.01     0.12  -0.01  -0.02
    28   6     0.04  -0.00  -0.00     0.04  -0.01  -0.00    -0.09   0.02  -0.00
    29   6    -0.05   0.02  -0.01    -0.05   0.03  -0.01     0.11  -0.06   0.02
    30   6     0.06   0.00  -0.01     0.06   0.00  -0.01    -0.11   0.01   0.02
    31   6    -0.02  -0.03   0.00    -0.04  -0.05   0.01     0.02   0.03  -0.01
    32   6     0.04   0.02   0.01     0.06   0.03   0.01    -0.03  -0.02  -0.01
    33   6    -0.02  -0.02  -0.00    -0.03  -0.03  -0.00     0.02   0.02  -0.00
    34   6     0.02   0.03  -0.00     0.03   0.05  -0.01    -0.02  -0.03   0.01
    35   6    -0.04  -0.02  -0.01    -0.05  -0.03  -0.01     0.03   0.02   0.01
    36   6    -0.10   0.02   0.01     0.05  -0.01  -0.00     0.02  -0.00  -0.00
    37   6     0.10  -0.07   0.03    -0.05   0.03  -0.01    -0.02   0.01  -0.00
    38   6    -0.07   0.04  -0.01     0.03  -0.02   0.01     0.02  -0.01   0.00
    39   6     0.10  -0.02  -0.01    -0.05   0.01   0.00    -0.02   0.00   0.00
    40   6    -0.09   0.07  -0.03     0.05  -0.04   0.01     0.02  -0.01   0.00
    41   7     0.00   0.00  -0.00     0.01   0.01  -0.00    -0.00  -0.00   0.00
    42   7    -0.01   0.00  -0.00    -0.01   0.00  -0.00     0.01  -0.00   0.00
    43   7     0.01  -0.01  -0.00    -0.01   0.00   0.00    -0.00   0.00  -0.00
    44   6    -0.01  -0.02  -0.01    -0.01  -0.03  -0.01    -0.04  -0.18  -0.05
    45   6    -0.00   0.03   0.01    -0.00   0.04   0.01    -0.02   0.21   0.05
    46   6    -0.02  -0.02  -0.01    -0.02  -0.03  -0.01    -0.12  -0.16  -0.06
    47   6     0.01   0.02   0.01     0.01   0.04   0.01     0.06   0.17   0.05
    48   6    -0.01   0.01   0.00    -0.03   0.03   0.01    -0.04   0.03   0.01
    49   6     0.01  -0.01  -0.00     0.04  -0.02  -0.01     0.05  -0.02  -0.01
    50   6    -0.01   0.01   0.00    -0.02   0.04   0.01    -0.02   0.05   0.01
    51   6     0.01  -0.01  -0.00     0.02  -0.03  -0.01     0.03  -0.04  -0.01
    52   6     0.02   0.05   0.02    -0.01  -0.05  -0.01     0.01   0.04   0.01
    53   6    -0.00  -0.06  -0.02    -0.00   0.06   0.01     0.00  -0.05  -0.01
    54   6     0.03   0.05   0.01    -0.03  -0.04  -0.01     0.03   0.04   0.01
    55   6    -0.01  -0.04  -0.01     0.02   0.04   0.01    -0.01  -0.04  -0.01
    56   6     0.01   0.02   0.01     0.02   0.03   0.01     0.10   0.17   0.05
    57   6    -0.00  -0.02  -0.00    -0.00  -0.02  -0.01    -0.02  -0.09  -0.03
    58   6     0.01   0.01   0.00     0.02   0.01   0.00     0.10   0.05   0.02
    59   6    -0.01  -0.02  -0.01    -0.02  -0.03  -0.01    -0.10  -0.16  -0.06
    60   6    -0.00   0.02   0.01    -0.00   0.04   0.01    -0.01   0.20   0.06
    61   6     0.01  -0.01  -0.00     0.01  -0.02  -0.00     0.06  -0.10  -0.02
    62   6     0.00   0.01   0.00     0.01   0.02   0.01     0.03   0.09   0.03
    63   6     0.00  -0.03  -0.01     0.00  -0.04  -0.01     0.01  -0.20  -0.05
    64   6     0.01  -0.01  -0.00     0.02  -0.03  -0.01     0.03  -0.05  -0.01
    65   6    -0.01   0.00   0.00    -0.01   0.01   0.01    -0.02   0.02   0.01
    66   6    -0.00  -0.01  -0.00    -0.00  -0.02  -0.00    -0.00  -0.03  -0.01
    67   6    -0.01   0.01   0.00    -0.02   0.03   0.01    -0.03   0.05   0.01
    68   6     0.01  -0.01  -0.00     0.04  -0.02  -0.01     0.05  -0.03  -0.02
    69   6    -0.01   0.00   0.00    -0.02   0.00   0.01    -0.03  -0.00   0.01
    70   6     0.01  -0.01  -0.00     0.01  -0.02  -0.01     0.02  -0.02  -0.01
    71   6    -0.01   0.01   0.00    -0.04   0.02   0.01    -0.05   0.03   0.01
    72   6    -0.03  -0.04  -0.01     0.03   0.04   0.01    -0.02  -0.04  -0.01
    73   6     0.01   0.03   0.01    -0.01  -0.03  -0.01     0.01   0.02   0.01
    74   6    -0.03  -0.01  -0.01     0.03   0.01   0.01    -0.02  -0.01  -0.01
    75   6     0.03   0.04   0.01    -0.03  -0.04  -0.01     0.02   0.04   0.01
    76   6    -0.00  -0.06  -0.02     0.00   0.05   0.01     0.00  -0.04  -0.01
    77   6    -0.01   0.03   0.01     0.01  -0.03  -0.01    -0.01   0.02   0.00
    78   6    -0.01  -0.03  -0.01     0.01   0.03   0.01    -0.01  -0.02  -0.01
    79   6     0.00   0.06   0.02    -0.00  -0.05  -0.01    -0.00   0.04   0.01
    80   1     0.10   0.05  -0.00     0.23   0.04  -0.00    -0.02  -0.00  -0.00
    81   1     0.02   0.10  -0.00     0.03   0.21  -0.00     0.00  -0.01   0.00
    82   1    -0.01  -0.10   0.00    -0.01  -0.23   0.00     0.00   0.02  -0.00
    83   1     0.08  -0.01   0.00     0.20  -0.02  -0.00    -0.02   0.00  -0.00
    84   1    -0.12   0.14  -0.00    -0.11   0.15  -0.00     0.02  -0.03   0.00
    85   1    -0.10  -0.08   0.00    -0.16  -0.10  -0.00     0.03   0.02  -0.00
    86   1     0.12  -0.14   0.00     0.15  -0.21   0.00    -0.03   0.04  -0.00
    87   1    -0.28  -0.16   0.00     0.15   0.06  -0.00     0.01   0.01  -0.00
    88   1     0.13  -0.30   0.01    -0.05   0.15  -0.00    -0.00   0.01  -0.00
    89   1     0.28   0.03  -0.00    -0.21  -0.02  -0.00    -0.00  -0.00   0.00
    90   1    -0.03   0.05  -0.03    -0.04   0.05  -0.03     0.08  -0.10   0.06
    91   1     0.07   0.02  -0.03     0.07   0.02  -0.03    -0.14  -0.05   0.06
    92   1     0.03  -0.05   0.03     0.04  -0.05   0.03    -0.09   0.11  -0.06
    93   1    -0.06  -0.02   0.02    -0.06  -0.02   0.02     0.12   0.04  -0.06
    94   1     0.00   0.04  -0.02     0.00   0.06  -0.03    -0.01  -0.04   0.02
    95   1    -0.05  -0.01  -0.02    -0.07  -0.01  -0.03     0.05   0.01   0.02
    96   1    -0.00  -0.04   0.02    -0.00  -0.06   0.03     0.01   0.04  -0.02
    97   1     0.04   0.01   0.01     0.06   0.01   0.02    -0.04  -0.01  -0.02
    98   1     0.09   0.05  -0.06    -0.05  -0.03   0.03    -0.02  -0.01   0.01
    99   1    -0.09   0.11  -0.06     0.05  -0.05   0.03     0.02  -0.02   0.01
   100   1    -0.09  -0.05   0.06     0.04   0.02  -0.03     0.03   0.01  -0.01
   101   1     0.08  -0.09   0.04    -0.04   0.05  -0.02    -0.02   0.02  -0.01
   102   1    -0.02  -0.03  -0.01    -0.03  -0.05  -0.02    -0.14  -0.23  -0.07
   103   1    -0.02   0.01   0.00    -0.02   0.01   0.00    -0.11   0.04   0.00
   104   1    -0.01   0.01   0.00    -0.02   0.01   0.00    -0.10   0.07   0.01
   105   1     0.02   0.03   0.01     0.03   0.04   0.02     0.13   0.19   0.07
   106   1     0.00  -0.03  -0.01     0.00  -0.05  -0.02     0.02  -0.23  -0.07
   107   1    -0.02  -0.00  -0.00    -0.02  -0.00  -0.00    -0.13  -0.01  -0.01
   108   1    -0.02   0.00  -0.00    -0.02   0.00  -0.00    -0.12   0.02  -0.00
   109   1    -0.00   0.04   0.01    -0.00   0.05   0.01    -0.01   0.28   0.07
   110   1    -0.01   0.02   0.01    -0.03   0.05   0.01    -0.04   0.07   0.02
   111   1     0.01   0.01  -0.00     0.02   0.02  -0.00     0.02   0.02  -0.00
   112   1     0.01   0.00  -0.00     0.02   0.01  -0.00     0.03   0.02  -0.00
   113   1     0.01  -0.02  -0.01     0.02  -0.04  -0.01     0.03  -0.06  -0.02
   114   1    -0.02   0.01   0.01    -0.05   0.02   0.02    -0.06   0.03   0.02
   115   1     0.00   0.01   0.00     0.01   0.02   0.00     0.02   0.03   0.00
   116   1     0.01   0.01   0.00     0.02   0.02   0.00     0.02   0.02   0.00
   117   1     0.02  -0.01  -0.01     0.05  -0.03  -0.02     0.07  -0.04  -0.02
   118   1     0.04   0.06   0.02    -0.04  -0.06  -0.02     0.03   0.05   0.02
   119   1     0.03  -0.01  -0.00    -0.03   0.01   0.00     0.02  -0.01  -0.00
   120   1     0.03  -0.02  -0.00    -0.03   0.02   0.00     0.02  -0.02  -0.00
   121   1    -0.04  -0.05  -0.02     0.04   0.05   0.02    -0.03  -0.04  -0.01
   122   1    -0.00   0.07   0.02     0.00  -0.07  -0.02    -0.00   0.05   0.01
   123   1     0.04   0.00   0.00    -0.03  -0.00  -0.00     0.03   0.00   0.00
   124   1     0.04  -0.00   0.00    -0.03   0.01  -0.00     0.03  -0.01   0.00
   125   1     0.00  -0.09  -0.02    -0.00   0.08   0.02    -0.00  -0.06  -0.02
   126  17    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
                    325                    326                    327
                      A                      A                      A
 Frequencies --   1674.2063              1674.3428              1982.8778
 Red. masses --      6.6410                 6.6422                 1.1758
 Frc consts  --     10.9674                10.9711                 2.7238
 IR Inten    --     13.8853                 5.5902              2262.2880
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.00   0.00    -0.00  -0.01   0.00     0.00  -0.00   0.00
     2   6     0.00   0.00   0.00     0.01   0.03  -0.00     0.00   0.00  -0.00
     3   6    -0.01  -0.00   0.00    -0.02  -0.02   0.00     0.00  -0.00  -0.00
     4   6     0.01   0.00  -0.00     0.01   0.02  -0.00    -0.00   0.00  -0.00
     5   6    -0.00  -0.00   0.00    -0.02  -0.03   0.00     0.00   0.00   0.00
     6   6     0.00   0.00  -0.00     0.03   0.02   0.00    -0.00   0.00   0.00
     7   6     0.01  -0.00  -0.00     0.01   0.00  -0.00    -0.00  -0.00   0.00
     8   6    -0.01   0.00  -0.00    -0.01   0.00   0.00     0.01  -0.01   0.00
     9   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.03   0.02  -0.00
    10   6    -0.00  -0.01   0.00    -0.00  -0.01   0.00     0.01  -0.00   0.00
    11   6    -0.01   0.01  -0.00    -0.01   0.00   0.00     0.00  -0.00   0.00
    12   6     0.01  -0.00   0.00     0.01  -0.00  -0.00    -0.00   0.00  -0.00
    13   6    -0.02   0.00   0.00    -0.01   0.00  -0.00    -0.00  -0.00  -0.00
    14   6     0.01  -0.01   0.00     0.01  -0.01   0.00     0.00   0.01  -0.00
    15   7     0.01   0.00  -0.00     0.01   0.00  -0.00     0.04  -0.10   0.00
    16   6    -0.03  -0.01   0.00    -0.03  -0.01   0.00     0.01   0.01  -0.00
    17   6     0.03   0.00   0.00     0.03   0.00   0.00    -0.01   0.00   0.00
    18   7    -0.00  -0.00   0.00    -0.01  -0.00   0.00    -0.00  -0.00  -0.00
    19   6     0.04  -0.00  -0.00     0.04  -0.00  -0.00    -0.01   0.00   0.00
    20   6    -0.03   0.01  -0.00    -0.03   0.01  -0.00     0.00  -0.00   0.00
    21   6     0.02   0.01  -0.00     0.02   0.01  -0.00    -0.00   0.00  -0.00
    22   6    -0.04  -0.01   0.00    -0.04  -0.01   0.00     0.00   0.00  -0.00
    23   6     0.03   0.03  -0.00    -0.05  -0.04  -0.00     0.00   0.00  -0.00
    24   6     0.02  -0.01  -0.00    -0.01   0.00   0.00     0.00  -0.00   0.00
    25   6     0.06  -0.02   0.00     0.04  -0.02   0.00    -0.00  -0.00   0.00
    26   6    -0.04   0.02  -0.01     0.01  -0.00   0.00    -0.00   0.00  -0.00
    27   6     0.04  -0.00  -0.01    -0.01   0.00   0.00     0.00  -0.00  -0.00
    28   6    -0.03   0.01  -0.00     0.01  -0.00  -0.00    -0.00   0.00  -0.00
    29   6     0.04  -0.02   0.01    -0.01   0.00  -0.00     0.00  -0.00   0.00
    30   6    -0.04   0.00   0.01     0.01  -0.00  -0.00    -0.00  -0.00  -0.00
    31   6    -0.03  -0.05   0.01     0.06   0.08  -0.02     0.00  -0.00   0.00
    32   6     0.05   0.03   0.01    -0.09  -0.06  -0.02     0.00   0.00   0.00
    33   6    -0.04  -0.04   0.00     0.06   0.06  -0.00    -0.00  -0.00   0.00
    34   6     0.03   0.05  -0.01    -0.06  -0.09   0.02     0.00   0.00  -0.00
    35   6    -0.05  -0.03  -0.01     0.08   0.06   0.01    -0.00   0.00  -0.00
    36   6    -0.10   0.01   0.01    -0.07   0.01   0.01     0.00   0.00  -0.00
    37   6     0.10  -0.06   0.02     0.07  -0.04   0.01    -0.00   0.00  -0.00
    38   6    -0.08   0.03  -0.00    -0.06   0.02  -0.00     0.00  -0.00  -0.00
    39   6     0.11  -0.01  -0.02     0.08  -0.01  -0.01    -0.00  -0.00   0.00
    40   6    -0.09   0.05  -0.02    -0.07   0.04  -0.01     0.00  -0.00  -0.00
    41   7     0.00   0.00  -0.00    -0.01  -0.01   0.00     0.00   0.00  -0.00
    42   7     0.00  -0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    43   7     0.01  -0.00   0.00     0.01  -0.00   0.00    -0.00   0.00  -0.00
    44   6    -0.01  -0.06  -0.02     0.00   0.02   0.01    -0.00   0.00   0.00
    45   6    -0.01   0.07   0.02     0.00  -0.03  -0.01     0.00  -0.00   0.00
    46   6    -0.04  -0.05  -0.02     0.02   0.02   0.01    -0.00  -0.00  -0.00
    47   6     0.02   0.06   0.02    -0.01  -0.02  -0.01    -0.00  -0.00  -0.00
    48   6     0.08  -0.07  -0.03    -0.12   0.10   0.04    -0.00   0.00   0.00
    49   6    -0.11   0.05   0.03     0.16  -0.07  -0.05     0.00   0.00   0.00
    50   6     0.05  -0.11  -0.03    -0.07   0.16   0.04     0.00   0.00  -0.00
    51   6    -0.07   0.08   0.03     0.10  -0.12  -0.04     0.00  -0.00  -0.00
    52   6    -0.03  -0.15  -0.04    -0.02  -0.10  -0.03     0.00  -0.00  -0.00
    53   6    -0.01   0.17   0.04    -0.01   0.12   0.03    -0.00   0.00  -0.00
    54   6    -0.11  -0.13  -0.04    -0.08  -0.09  -0.03    -0.00   0.00   0.00
    55   6     0.05   0.14   0.04     0.04   0.10   0.03     0.00   0.00   0.00
    56   6     0.03   0.06   0.02    -0.01  -0.02  -0.01     0.00   0.00   0.00
    57   6    -0.01  -0.03  -0.01     0.00   0.01   0.00     0.00  -0.00  -0.00
    58   6     0.03   0.02   0.01    -0.01  -0.01  -0.00    -0.00  -0.00  -0.00
    59   6    -0.03  -0.05  -0.02     0.01   0.02   0.01     0.00   0.00   0.00
    60   6    -0.00   0.07   0.02     0.00  -0.03  -0.01     0.00  -0.00  -0.00
    61   6     0.02  -0.03  -0.01    -0.01   0.01   0.00    -0.00   0.00   0.00
    62   6     0.01   0.03   0.01    -0.00  -0.01  -0.00     0.00  -0.00  -0.00
    63   6     0.00  -0.07  -0.02    -0.00   0.03   0.01    -0.00   0.00   0.00
    64   6    -0.05   0.10   0.03     0.08  -0.15  -0.04     0.00  -0.00  -0.00
    65   6     0.04  -0.04  -0.02    -0.06   0.06   0.02     0.00   0.00   0.00
    66   6     0.00   0.07   0.01    -0.00  -0.10  -0.02    -0.00  -0.00  -0.00
    67   6     0.05  -0.10  -0.03    -0.08   0.15   0.04    -0.00   0.00   0.00
    68   6    -0.10   0.05   0.03     0.15  -0.08  -0.05     0.00  -0.00  -0.00
    69   6     0.07   0.00  -0.01    -0.10  -0.00   0.02    -0.00  -0.00   0.00
    70   6    -0.04   0.04   0.02     0.06  -0.06  -0.02     0.00  -0.00  -0.00
    71   6     0.10  -0.05  -0.03    -0.15   0.08   0.05    -0.00   0.00   0.00
    72   6     0.09   0.14   0.04     0.06   0.10   0.03     0.00   0.00   0.00
    73   6    -0.02  -0.08  -0.02    -0.01  -0.06  -0.02    -0.00  -0.00  -0.00
    74   6     0.09   0.04   0.02     0.06   0.03   0.01     0.00   0.00   0.00
    75   6    -0.09  -0.13  -0.04    -0.06  -0.10  -0.03    -0.00  -0.00  -0.00
    76   6    -0.00   0.16   0.04    -0.00   0.11   0.03     0.00   0.00   0.00
    77   6     0.05  -0.08  -0.02     0.03  -0.06  -0.01     0.00  -0.00  -0.00
    78   6     0.03   0.08   0.02     0.02   0.05   0.02    -0.00   0.00   0.00
    79   6     0.00  -0.16  -0.04     0.00  -0.12  -0.03    -0.00  -0.00  -0.00
    80   1    -0.04  -0.01   0.00    -0.03  -0.01   0.00    -0.50   0.86  -0.03
    81   1     0.00  -0.00  -0.00    -0.01  -0.04   0.00    -0.00   0.00  -0.00
    82   1     0.00   0.01  -0.00    -0.00   0.04  -0.00     0.00  -0.01   0.00
    83   1    -0.00  -0.00   0.00    -0.04   0.00  -0.00     0.00   0.00  -0.00
    84   1     0.01  -0.02   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    85   1     0.02   0.01  -0.00     0.01   0.01   0.00     0.01   0.00   0.00
    86   1    -0.01   0.02  -0.00    -0.01   0.02  -0.00     0.02  -0.06  -0.00
    87   1    -0.04  -0.02   0.00    -0.04  -0.02   0.00    -0.02  -0.02  -0.00
    88   1     0.01  -0.04   0.00     0.01  -0.04   0.00    -0.00   0.00  -0.00
    89   1     0.05   0.00  -0.00     0.05   0.00  -0.00    -0.01  -0.00  -0.00
    90   1     0.03  -0.03   0.02    -0.01   0.01  -0.00     0.00   0.00  -0.00
    91   1    -0.05  -0.02   0.02     0.01   0.00  -0.00     0.00   0.00  -0.00
    92   1    -0.03   0.04  -0.02     0.01  -0.01   0.00    -0.00   0.00   0.00
    93   1     0.04   0.02  -0.02    -0.01  -0.00   0.00    -0.00   0.00   0.00
    94   1     0.01   0.06  -0.03    -0.02  -0.11   0.06    -0.00  -0.00   0.00
    95   1    -0.08  -0.01  -0.03     0.13   0.02   0.05    -0.00  -0.00   0.00
    96   1    -0.01  -0.08   0.03     0.02   0.13  -0.06    -0.00  -0.00  -0.00
    97   1     0.06   0.01   0.03    -0.11  -0.02  -0.05    -0.00  -0.00  -0.00
    98   1     0.10   0.04  -0.05     0.08   0.03  -0.04     0.00   0.00  -0.00
    99   1    -0.08   0.11  -0.06    -0.06   0.08  -0.04     0.00   0.00  -0.00
   100   1    -0.12  -0.04   0.05    -0.09  -0.03   0.04     0.00  -0.00   0.00
   101   1     0.07  -0.09   0.05     0.05  -0.06   0.04     0.00  -0.00   0.00
   102   1    -0.05  -0.08  -0.02     0.02   0.03   0.01     0.00   0.00  -0.00
   103   1    -0.04   0.01   0.00     0.01  -0.01  -0.00     0.00  -0.00  -0.00
   104   1    -0.04   0.02   0.00     0.01  -0.01  -0.00    -0.00  -0.00  -0.00
   105   1     0.04   0.06   0.02    -0.02  -0.03  -0.01    -0.00  -0.00  -0.00
   106   1     0.01  -0.08  -0.02    -0.00   0.03   0.01    -0.00   0.00   0.00
   107   1    -0.04  -0.00  -0.00     0.02   0.00   0.00     0.00   0.00  -0.00
   108   1    -0.04   0.01  -0.00     0.02  -0.00   0.00     0.00   0.00   0.00
   109   1    -0.00   0.09   0.02     0.00  -0.03  -0.01    -0.00  -0.00  -0.00
   110   1     0.07  -0.14  -0.04    -0.11   0.21   0.06    -0.00   0.00   0.00
   111   1    -0.05  -0.04   0.00     0.08   0.07  -0.00     0.00  -0.00  -0.00
   112   1    -0.06  -0.03   0.01     0.10   0.05  -0.01     0.00  -0.00  -0.00
   113   1    -0.06   0.12   0.04     0.09  -0.18  -0.05     0.00  -0.00  -0.00
   114   1     0.12  -0.06  -0.04    -0.18   0.09   0.06    -0.00   0.00   0.00
   115   1    -0.03  -0.06  -0.01     0.05   0.10   0.01    -0.00   0.00   0.00
   116   1    -0.04  -0.05  -0.00     0.07   0.08   0.00    -0.00   0.00   0.00
   117   1    -0.14   0.07   0.04     0.20  -0.11  -0.06    -0.00  -0.00  -0.00
   118   1    -0.12  -0.19  -0.06    -0.09  -0.14  -0.04     0.00  -0.00  -0.00
   119   1    -0.09   0.04   0.00    -0.06   0.03   0.00    -0.00   0.00   0.00
   120   1    -0.08   0.06   0.01    -0.06   0.04   0.01    -0.00   0.00   0.00
   121   1     0.11   0.15   0.05     0.08   0.11   0.04     0.00   0.00   0.00
   122   1     0.01  -0.19  -0.05     0.01  -0.13  -0.04     0.00  -0.00  -0.00
   123   1    -0.10  -0.00  -0.01    -0.07  -0.00  -0.01    -0.00  -0.00  -0.00
   124   1    -0.09   0.02  -0.00    -0.07   0.02  -0.00    -0.00  -0.00  -0.00
   125   1     0.00   0.23   0.06     0.00   0.16   0.04     0.00   0.00   0.00
   126  17     0.00   0.00  -0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
                    328                    329                    330
                      A                      A                      A
 Frequencies --   3149.1177              3181.3276              3181.4177
 Red. masses --      1.0959                 1.0855                 1.0855
 Frc consts  --      6.4033                 6.4729                 6.4735
 IR Inten    --    168.3490                 0.1578                 0.0440
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
     2   6    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
     3   6     0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     4   6     0.00   0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
     5   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
     6   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     7   6     0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
     8   6     0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
     9   6     0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    10   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    11   6    -0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00   0.00
    12   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    13   6     0.00   0.01   0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    14   6    -0.06  -0.06   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    15   7     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    16   6    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    17   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    18   7     0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    19   6    -0.00   0.01  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    20   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    21   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    22   6     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    23   6    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    24   6    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    25   6    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    26   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    27   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    28   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    29   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    30   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    31   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    32   6     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    33   6    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    34   6     0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    35   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    36   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    37   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    38   6     0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    39   6    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    40   6     0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    41   7     0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    42   7     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    43   7    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    44   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    45   6     0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    46   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    47   6    -0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    48   6    -0.00   0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    49   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    50   6     0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    51   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    52   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
    53   6     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    54   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
    55   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    56   6     0.00  -0.00  -0.00     0.04  -0.02  -0.00    -0.00   0.00   0.00
    57   6     0.00   0.00   0.00    -0.04  -0.02  -0.01     0.00   0.00   0.00
    58   6    -0.00   0.00   0.00     0.00   0.04   0.01    -0.00  -0.00  -0.00
    59   6     0.00  -0.00   0.00     0.01  -0.01  -0.00    -0.00   0.00   0.00
    60   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    61   6    -0.00  -0.00  -0.00     0.01   0.01   0.00    -0.00  -0.00  -0.00
    62   6     0.00  -0.00  -0.00     0.01  -0.02  -0.00    -0.00   0.00   0.00
    63   6     0.00   0.00   0.00    -0.03   0.00  -0.00     0.00  -0.00   0.00
    64   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.03   0.02  -0.00
    65   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.03  -0.01
    66   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.02   0.02   0.01
    67   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.01   0.00  -0.00
    68   6     0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.01  -0.00
    69   6    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.01   0.02   0.01
    70   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.03   0.00  -0.01
    71   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.02  -0.03  -0.00
    72   6     0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    73   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    74   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    75   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    76   6    -0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    77   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    78   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    79   6    -0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    80   1    -0.01   0.04  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    81   1    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    82   1     0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    83   1     0.00  -0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    84   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    85   1     0.01  -0.06  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    86   1     0.69   0.71  -0.01    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    87   1     0.02  -0.08   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    88   1     0.00   0.00   0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
    89   1     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    90   1     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    91   1    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    92   1    -0.00  -0.00   0.00    -0.01  -0.01   0.01     0.00   0.00  -0.00
    93   1    -0.00   0.00  -0.00    -0.00   0.01  -0.00     0.00  -0.00   0.00
    94   1    -0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    95   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.01   0.00
    96   1    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.01  -0.00   0.00
    97   1     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    98   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    99   1     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
   100   1     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
   101   1    -0.00   0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
   102   1    -0.00   0.00   0.00    -0.45   0.26   0.03     0.01  -0.01  -0.00
   103   1    -0.00  -0.00  -0.00     0.45   0.24   0.10    -0.01  -0.01  -0.00
   104   1    -0.00  -0.00  -0.00    -0.01  -0.45  -0.13     0.00   0.01   0.00
   105   1    -0.00   0.00   0.00    -0.11   0.07   0.01     0.00  -0.00  -0.00
   106   1    -0.00   0.00  -0.00     0.05   0.00   0.01    -0.00  -0.00  -0.00
   107   1     0.00   0.00   0.00    -0.09  -0.16  -0.06     0.00   0.00   0.00
   108   1    -0.00   0.00   0.00    -0.14   0.22   0.05     0.00  -0.01  -0.00
   109   1    -0.00  -0.00  -0.00     0.32   0.00   0.03    -0.01  -0.00  -0.00
   110   1    -0.00  -0.00   0.00    -0.01  -0.01   0.00    -0.39  -0.22   0.04
   111   1    -0.00  -0.00  -0.00     0.00   0.01   0.00     0.01   0.41   0.07
   112   1     0.00  -0.00  -0.00     0.01  -0.00  -0.00     0.29  -0.18  -0.10
   113   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.09  -0.05   0.01
   114   1    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.05   0.09   0.01
   115   1    -0.00   0.00   0.00     0.01  -0.01  -0.00     0.17  -0.29  -0.09
   116   1    -0.00  -0.00   0.00    -0.01  -0.00   0.00    -0.40  -0.01   0.08
   117   1    -0.00  -0.00  -0.00     0.01   0.01   0.00     0.21   0.38   0.02
   118   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
   119   1    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
   120   1     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
   121   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
   122   1     0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
   123   1     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
   124   1    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
   125   1     0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
   126  17    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
                    331                    332                    333
                      A                      A                      A
 Frequencies --   3181.7073              3182.3513              3182.4933
 Red. masses --      1.0856                 1.0855                 1.0856
 Frc consts  --      6.4748                 6.4769                 6.4780
 IR Inten    --      0.1622                 1.2093                 1.6079
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     2   6    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
     3   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
     4   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00   0.00   0.00
     5   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
     6   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     7   6     0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
     8   6    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
     9   6     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    10   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    11   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    12   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    13   6    -0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
    14   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    15   7     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    16   6    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    17   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    18   7     0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    19   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    20   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
    21   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    22   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
    23   6    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    24   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
    25   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    26   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    27   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    28   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    29   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    30   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    31   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    32   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    33   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    34   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    35   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    36   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    37   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    38   6     0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    39   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    40   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    41   7    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
    42   7    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    43   7     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    44   6     0.00  -0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    45   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    46   6    -0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    47   6     0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    48   6     0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    49   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    50   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    51   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    52   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    53   6     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    54   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    55   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    56   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.02   0.01   0.00
    57   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.02   0.01   0.00
    58   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.02  -0.01
    59   6    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.01   0.00   0.00
    60   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.01  -0.00  -0.00
    61   6     0.00   0.00   0.00     0.00   0.00   0.00     0.02   0.03   0.01
    62   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.02  -0.04  -0.01
    63   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.05   0.00  -0.00
    64   6     0.00   0.00  -0.00     0.03   0.02  -0.00    -0.00  -0.00   0.00
    65   6    -0.00   0.00   0.00    -0.00  -0.03  -0.01     0.00   0.00   0.00
    66   6     0.00  -0.00  -0.00    -0.03   0.02   0.01     0.00  -0.00  -0.00
    67   6    -0.00  -0.00   0.00     0.01   0.00  -0.00    -0.00  -0.00   0.00
    68   6    -0.00  -0.00  -0.00     0.00   0.01   0.00    -0.00  -0.00  -0.00
    69   6    -0.00   0.00   0.00     0.02  -0.03  -0.01    -0.00   0.00   0.00
    70   6     0.00   0.00  -0.00    -0.04  -0.00   0.01     0.00   0.00  -0.00
    71   6    -0.00  -0.00  -0.00     0.02   0.03   0.00    -0.00  -0.00  -0.00
    72   6     0.03  -0.02  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    73   6    -0.02  -0.01  -0.01    -0.00  -0.00  -0.00     0.00   0.00   0.00
    74   6     0.00   0.02   0.01     0.00   0.00   0.00    -0.00  -0.00  -0.00
    75   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    76   6    -0.01  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    77   6     0.02   0.03   0.01    -0.00  -0.00  -0.00     0.00   0.00   0.00
    78   6     0.02  -0.03  -0.01    -0.00   0.00   0.00     0.00  -0.00  -0.00
    79   6    -0.04   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    80   1     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    81   1     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    82   1     0.00   0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    83   1    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    84   1     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    85   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    86   1     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    87   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    88   1    -0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    89   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    90   1     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    91   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.01   0.01
    92   1     0.00   0.00  -0.00     0.00   0.00  -0.00     0.01   0.00  -0.00
    93   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.01   0.00
    94   1     0.00  -0.00   0.00    -0.01   0.00  -0.01    -0.00   0.00  -0.00
    95   1    -0.00   0.00  -0.00     0.00  -0.01   0.01    -0.00   0.00  -0.00
    96   1     0.00  -0.00   0.00    -0.01   0.00  -0.01     0.00   0.00   0.00
    97   1    -0.00   0.00  -0.00     0.00  -0.01   0.01     0.00  -0.00   0.00
    98   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    99   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
   100   1     0.00  -0.01   0.01    -0.00   0.00  -0.00     0.00  -0.00   0.00
   101   1     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
   102   1    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.18  -0.11  -0.01
   103   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.25  -0.13  -0.06
   104   1    -0.00  -0.00  -0.00     0.00   0.01   0.00     0.01   0.29   0.08
   105   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.07  -0.04  -0.01
   106   1     0.00   0.00   0.00     0.00   0.00   0.00     0.12   0.00   0.01
   107   1    -0.00  -0.00  -0.00    -0.01  -0.01  -0.00    -0.20  -0.37  -0.12
   108   1    -0.00   0.00   0.00    -0.01   0.01   0.00    -0.28   0.45   0.10
   109   1     0.00   0.00   0.00     0.01   0.00   0.00     0.53   0.00   0.04
   110   1    -0.00  -0.00   0.00    -0.32  -0.18   0.03     0.01   0.00  -0.00
   111   1     0.00  -0.00  -0.00     0.01   0.41   0.07    -0.00  -0.01  -0.00
   112   1    -0.00   0.00   0.00     0.32  -0.20  -0.11    -0.01   0.00   0.00
   113   1     0.00   0.00  -0.00    -0.10  -0.05   0.01     0.00   0.00  -0.00
   114   1     0.00   0.00   0.00    -0.06  -0.10  -0.01     0.00   0.00   0.00
   115   1     0.00  -0.00  -0.00    -0.20   0.34   0.11     0.00  -0.01  -0.00
   116   1    -0.00  -0.00   0.00     0.42   0.01  -0.09    -0.01  -0.00   0.00
   117   1     0.00   0.00   0.00    -0.19  -0.33  -0.02     0.01   0.01   0.00
   118   1    -0.31   0.20   0.02    -0.00   0.00   0.00     0.00  -0.00  -0.00
   119   1     0.29   0.14   0.06     0.00   0.00   0.00    -0.00  -0.00  -0.00
   120   1    -0.01  -0.24  -0.07    -0.00  -0.00  -0.00     0.00   0.00   0.00
   121   1    -0.06   0.04   0.01    -0.00   0.00   0.00     0.00  -0.00  -0.00
   122   1     0.11  -0.00   0.01    -0.00   0.00  -0.00     0.00  -0.00   0.00
   123   1    -0.21  -0.35  -0.11     0.00   0.00   0.00    -0.00  -0.00  -0.00
   124   1    -0.24   0.42   0.09     0.00  -0.00  -0.00    -0.00   0.00   0.00
   125   1     0.50  -0.01   0.04    -0.00   0.00  -0.00     0.00  -0.00   0.00
   126  17    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
                    334                    335                    336
                      A                      A                      A
 Frequencies --   3182.7413              3189.5904              3189.6918
 Red. masses --      1.0855                 1.0898                 1.0898
 Frc consts  --      6.4789                 6.5321                 6.5326
 IR Inten    --      1.8421                13.5532                 8.6330
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     2   6     0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     3   6    -0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     4   6     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
     5   6    -0.00  -0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
     6   6    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     7   6    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     8   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     9   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    10   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    11   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    12   6    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    13   6     0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    14   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    15   7    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    16   6     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    17   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    18   7    -0.00   0.00   0.00     0.00  -0.00   0.00     0.00   0.00   0.00
    19   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    20   6     0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    21   6    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
    22   6     0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
    23   6     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    24   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    25   6     0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    26   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    27   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    28   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    29   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    30   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    31   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    32   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    33   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    34   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    35   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    36   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    37   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    38   6    -0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    39   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    40   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    41   7     0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    42   7     0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    43   7     0.00  -0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    44   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    45   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    46   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    47   6    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    48   6    -0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    49   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    50   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    51   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    52   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    53   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    54   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    55   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    56   6    -0.00   0.00   0.00     0.01  -0.00  -0.00     0.04  -0.03  -0.00
    57   6     0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    58   6    -0.00  -0.00  -0.00    -0.00  -0.01  -0.00    -0.00  -0.05  -0.01
    59   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.01   0.01   0.00
    60   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.01   0.00   0.00
    61   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.01  -0.03  -0.01
    62   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.01   0.00
    63   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.02  -0.00  -0.00
    64   6    -0.00  -0.00   0.00     0.03   0.02  -0.00    -0.00  -0.00   0.00
    65   6     0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    66   6     0.00  -0.00  -0.00     0.03  -0.02  -0.01    -0.00   0.00   0.00
    67   6    -0.00  -0.00   0.00    -0.01  -0.01   0.00     0.00   0.00  -0.00
    68   6    -0.00  -0.00  -0.00     0.01   0.01   0.00    -0.00  -0.00  -0.00
    69   6    -0.00   0.00   0.00     0.02  -0.04  -0.01    -0.00   0.00   0.00
    70   6     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    71   6    -0.00  -0.00  -0.00    -0.02  -0.04  -0.00     0.00   0.00   0.00
    72   6     0.03  -0.02  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    73   6    -0.04  -0.02  -0.01    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    74   6     0.00   0.03   0.01     0.00   0.00   0.00     0.00   0.00   0.00
    75   6     0.01  -0.01  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    76   6     0.01   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    77   6    -0.01  -0.02  -0.01     0.00   0.00   0.00     0.00   0.00   0.00
    78   6    -0.01   0.02   0.01    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    79   6     0.02  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    80   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    81   1    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    82   1    -0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
    83   1     0.00  -0.00  -0.00    -0.00   0.01   0.00     0.00  -0.00  -0.00
    84   1    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    85   1    -0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
    86   1    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    87   1     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    88   1    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    89   1    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
    90   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.01  -0.01   0.01
    91   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.01  -0.01
    92   1    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.03   0.02  -0.02
    93   1    -0.00   0.00  -0.00     0.00  -0.01   0.00     0.01  -0.04   0.03
    94   1    -0.00   0.00  -0.00     0.02  -0.00   0.02    -0.00   0.00  -0.00
    95   1     0.00  -0.00   0.00    -0.00   0.02  -0.01     0.00  -0.00   0.00
    96   1    -0.00   0.00  -0.00    -0.02   0.00  -0.02     0.00  -0.00   0.00
    97   1     0.00  -0.00   0.00     0.00  -0.03   0.02    -0.00   0.00  -0.00
    98   1    -0.00   0.01  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    99   1    -0.01  -0.01   0.01    -0.00  -0.00   0.00    -0.00  -0.00   0.00
   100   1    -0.00   0.01  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
   101   1    -0.01  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
   102   1     0.00  -0.00  -0.00    -0.07   0.04   0.00    -0.51   0.30   0.04
   103   1    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.01   0.00   0.00
   104   1     0.00   0.00   0.00     0.00   0.08   0.02     0.01   0.57   0.17
   105   1     0.00  -0.00  -0.00     0.02  -0.01  -0.00     0.17  -0.11  -0.02
   106   1     0.00   0.00   0.00    -0.01  -0.00  -0.00    -0.11  -0.00  -0.01
   107   1    -0.00  -0.00  -0.00     0.02   0.04   0.01     0.17   0.30   0.10
   108   1    -0.00   0.00   0.00     0.01  -0.01  -0.00     0.04  -0.07  -0.02
   109   1     0.00   0.00   0.00     0.03   0.00   0.00     0.27   0.00   0.02
   110   1     0.00   0.00  -0.00    -0.39  -0.22   0.04     0.06   0.03  -0.01
   111   1    -0.00  -0.00  -0.00     0.00  -0.03  -0.01    -0.00   0.00   0.00
   112   1    -0.00   0.00   0.00    -0.40   0.25   0.13     0.06  -0.03  -0.02
   113   1     0.00   0.00  -0.00     0.14   0.08  -0.02    -0.02  -0.01   0.00
   114   1     0.00   0.00   0.00    -0.08  -0.15  -0.01     0.01   0.02   0.00
   115   1     0.00  -0.00  -0.00    -0.25   0.42   0.13     0.03  -0.05  -0.02
   116   1    -0.00  -0.00   0.00     0.02  -0.00  -0.00    -0.00   0.00   0.00
   117   1     0.00   0.00   0.00     0.23   0.41   0.02    -0.03  -0.05  -0.00
   118   1    -0.40   0.26   0.03     0.00  -0.00  -0.00     0.00  -0.00  -0.00
   119   1     0.44   0.22   0.10     0.00   0.00   0.00     0.00   0.00   0.00
   120   1    -0.02  -0.41  -0.12    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
   121   1    -0.10   0.06   0.01    -0.00   0.00   0.00    -0.00   0.00   0.00
   122   1    -0.09   0.00  -0.01     0.00  -0.00   0.00     0.00  -0.00   0.00
   123   1     0.16   0.28   0.09    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
   124   1     0.17  -0.29  -0.06     0.00  -0.00  -0.00     0.00  -0.00  -0.00
   125   1    -0.28   0.01  -0.02    -0.00   0.00  -0.00    -0.00   0.00  -0.00
   126  17     0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
                    337                    338                    339
                      A                      A                      A
 Frequencies --   3190.0473              3191.0588              3191.3879
 Red. masses --      1.0898                 1.0900                 1.0900
 Frc consts  --      6.5342                 6.5393                 6.5410
 IR Inten    --     11.5012                 3.7264                 6.2924
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
     2   6     0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     3   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     4   6     0.00   0.00  -0.00     0.00   0.00   0.00     0.00  -0.00   0.00
     5   6     0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     6   6    -0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
     7   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     8   6    -0.00  -0.00   0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
     9   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    10   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
    11   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    12   6     0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    13   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    14   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    15   7    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    16   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    17   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
    18   7     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
    19   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.01   0.00
    20   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00   0.00
    21   6     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    22   6     0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    23   6     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
    24   6    -0.00  -0.00   0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    25   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    26   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    27   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    28   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
    29   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    30   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    31   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    32   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    33   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00   0.00
    34   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    35   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    36   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    37   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    38   6     0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    39   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    40   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    41   7    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    42   7    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
    43   7    -0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
    44   6     0.00  -0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    45   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    46   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    47   6    -0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00   0.00
    48   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    49   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    50   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    51   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    52   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    53   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    54   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    55   6    -0.00   0.00   0.00     0.00  -0.00   0.00     0.00   0.00   0.00
    56   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.03   0.01   0.00
    57   6    -0.00   0.00   0.00    -0.00  -0.00  -0.00     0.01   0.00   0.00
    58   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00   0.03   0.01
    59   6    -0.00   0.00   0.00     0.00  -0.00   0.00     0.01  -0.01  -0.00
    60   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.02   0.00   0.00
    61   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.02  -0.04  -0.02
    62   6    -0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    63   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.05  -0.00  -0.00
    64   6     0.00   0.00  -0.00    -0.04  -0.02   0.00    -0.00  -0.00   0.00
    65   6    -0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    66   6     0.00  -0.00  -0.00    -0.03   0.02   0.01    -0.00   0.00   0.00
    67   6    -0.00  -0.00   0.00     0.01   0.01  -0.00     0.00   0.00  -0.00
    68   6     0.00   0.00   0.00     0.01   0.01   0.00     0.00   0.00   0.00
    69   6     0.00  -0.00  -0.00     0.02  -0.03  -0.01     0.00  -0.00  -0.00
    70   6    -0.00   0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    71   6    -0.00  -0.00  -0.00    -0.02  -0.04  -0.00    -0.00  -0.00  -0.00
    72   6     0.03  -0.02  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    73   6     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
    74   6    -0.00  -0.04  -0.01     0.00   0.00   0.00     0.00   0.00   0.00
    75   6    -0.01   0.01   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    76   6     0.02   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    77   6    -0.02  -0.04  -0.01    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    78   6     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    79   6    -0.05   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    80   1     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    81   1    -0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    82   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    83   1     0.00  -0.00  -0.00     0.00  -0.01  -0.00     0.00  -0.00  -0.00
    84   1    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    85   1    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    86   1    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.01   0.01  -0.00
    87   1     0.00  -0.01   0.00    -0.00   0.01  -0.00    -0.02   0.09  -0.00
    88   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.02  -0.02  -0.00
    89   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    90   1    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.02  -0.01   0.01
    91   1    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.01   0.02  -0.02
    92   1     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.02  -0.02   0.02
    93   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.02   0.04  -0.03
    94   1     0.00  -0.00   0.00    -0.04   0.01  -0.03    -0.00   0.00  -0.00
    95   1    -0.00   0.00  -0.00     0.00  -0.03   0.02     0.00  -0.00   0.00
    96   1    -0.00   0.00  -0.00    -0.03   0.00  -0.02    -0.00   0.00  -0.00
    97   1     0.00  -0.00   0.00     0.01  -0.05   0.03    -0.00   0.00  -0.00
    98   1     0.01  -0.02   0.01    -0.00   0.00  -0.00    -0.00   0.01  -0.01
    99   1     0.01   0.01  -0.01    -0.00  -0.00   0.00    -0.00  -0.00   0.00
   100   1    -0.01   0.02  -0.02    -0.00   0.00  -0.00    -0.00   0.00  -0.00
   101   1    -0.02  -0.01   0.02    -0.00  -0.00   0.00     0.00   0.00  -0.00
   102   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.29  -0.17  -0.02
   103   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.06  -0.03  -0.01
   104   1     0.00   0.00   0.00    -0.00   0.00   0.00    -0.01  -0.29  -0.08
   105   1     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.09   0.05   0.01
   106   1    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.20  -0.01  -0.02
   107   1     0.00   0.00   0.00    -0.01  -0.01  -0.00     0.28   0.52   0.17
   108   1     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.01  -0.02  -0.00
   109   1     0.00   0.00   0.00    -0.01  -0.00  -0.00     0.58   0.00   0.05
   110   1    -0.00  -0.00   0.00     0.44   0.25  -0.04     0.01   0.00  -0.00
   111   1    -0.00  -0.00  -0.00    -0.00  -0.05  -0.01    -0.00  -0.00  -0.00
   112   1    -0.00   0.00   0.00     0.39  -0.24  -0.13     0.01  -0.00  -0.00
   113   1     0.00   0.00  -0.00    -0.14  -0.08   0.02    -0.00  -0.00   0.00
   114   1    -0.00  -0.00  -0.00    -0.08  -0.14  -0.01    -0.00  -0.00  -0.00
   115   1    -0.00   0.00   0.00    -0.22   0.38   0.12    -0.01   0.01   0.00
   116   1     0.00  -0.00  -0.00    -0.06  -0.00   0.01    -0.00  -0.00   0.00
   117   1     0.00   0.00   0.00     0.24   0.42   0.02     0.01   0.01   0.00
   118   1    -0.30   0.19   0.02     0.00  -0.00  -0.00     0.01  -0.00  -0.00
   119   1    -0.06  -0.03  -0.01    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
   120   1     0.02   0.41   0.11    -0.00  -0.00  -0.00    -0.00  -0.01  -0.00
   121   1     0.12  -0.08  -0.01    -0.00   0.00   0.00    -0.00   0.00   0.00
   122   1    -0.19   0.00  -0.02    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
   123   1     0.28   0.47   0.16     0.00   0.00   0.00     0.00   0.01   0.00
   124   1     0.00  -0.01  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
   125   1     0.54  -0.01   0.04     0.00  -0.00   0.00     0.01  -0.00   0.00
   126  17     0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
                    340                    341                    342
                      A                      A                      A
 Frequencies --   3191.4414              3191.5655              3193.2725
 Red. masses --      1.0929                 1.0901                 1.0885
 Frc consts  --      6.5586                 6.5424                 6.5395
 IR Inten    --     48.8371                 2.1097                21.2507
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
     2   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.01   0.00   0.00
     3   6    -0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     4   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     5   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
     6   6    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     7   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     8   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     9   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
    10   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
    11   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.01   0.01   0.00
    12   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    13   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    14   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    15   7     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    16   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
    17   6    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
    18   7    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
    19   6     0.02  -0.08   0.00     0.00  -0.02   0.00    -0.00   0.00  -0.00
    20   6     0.01   0.02   0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
    21   6     0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    22   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    23   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
    24   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
    25   6     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    26   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    27   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    28   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    29   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.02   0.01  -0.01
    30   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.02  -0.05   0.04
    31   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    32   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    33   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    34   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.01   0.00  -0.01
    35   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.01  -0.03   0.02
    36   6     0.00  -0.01   0.01    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    37   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    38   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
    39   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    40   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    41   7     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    42   7     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    43   7    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    44   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    45   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    46   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    47   6    -0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    48   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
    49   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    50   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    51   6    -0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00   0.00   0.00
    52   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    53   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    54   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
    55   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    56   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    57   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    58   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    59   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    60   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    61   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    62   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
    63   6     0.01   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    64   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    65   6    -0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    66   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    67   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    68   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    69   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    70   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    71   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    72   6    -0.01   0.00   0.00     0.04  -0.03  -0.00     0.00  -0.00  -0.00
    73   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    74   6     0.00   0.01   0.00    -0.00  -0.05  -0.01    -0.00   0.00   0.00
    75   6     0.00  -0.00  -0.00    -0.01   0.01   0.00    -0.00   0.00   0.00
    76   6     0.00   0.00   0.00    -0.01  -0.00  -0.00     0.00  -0.00   0.00
    77   6    -0.00  -0.01  -0.00     0.02   0.03   0.01    -0.00  -0.00  -0.00
    78   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    79   6    -0.01   0.00  -0.00     0.03  -0.00   0.00    -0.00   0.00  -0.00
    80   1    -0.00   0.02  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    81   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.06  -0.02  -0.00
    82   1    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    83   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    84   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.06  -0.06  -0.00
    85   1     0.00  -0.02  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    86   1     0.05   0.06  -0.00     0.01   0.01  -0.00    -0.00  -0.00   0.00
    87   1    -0.19   0.89  -0.02    -0.04   0.17  -0.00     0.00  -0.00   0.00
    88   1    -0.21  -0.19  -0.00    -0.03  -0.03  -0.00     0.00   0.00   0.00
    89   1    -0.00   0.01  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    90   1     0.01   0.01  -0.01     0.00   0.00  -0.00    -0.01  -0.01   0.01
    91   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.01   0.02  -0.02
    92   1     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.21  -0.17   0.17
    93   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.23   0.62  -0.44
    94   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.02  -0.00   0.01
    95   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.02  -0.02
    96   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.15  -0.02   0.10
    97   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.06   0.37  -0.26
    98   1    -0.05   0.14  -0.10     0.00  -0.00   0.00     0.00  -0.00   0.00
    99   1    -0.04  -0.03   0.03     0.02   0.01  -0.01     0.00   0.00  -0.00
   100   1    -0.00   0.00  -0.00     0.01  -0.02   0.01    -0.00   0.00  -0.00
   101   1     0.01   0.00  -0.01     0.02   0.02  -0.02    -0.00  -0.00   0.00
   102   1    -0.03   0.02   0.00    -0.00   0.00   0.00    -0.04   0.03   0.00
   103   1     0.01   0.00   0.00     0.00   0.00   0.00    -0.02  -0.01  -0.00
   104   1     0.00   0.03   0.01     0.00   0.00   0.00     0.00   0.05   0.02
   105   1     0.01  -0.01  -0.00     0.00  -0.00  -0.00    -0.01   0.01   0.00
   106   1     0.02   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
   107   1    -0.03  -0.05  -0.02    -0.00  -0.00  -0.00    -0.01  -0.01  -0.00
   108   1    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
   109   1    -0.06  -0.00  -0.00    -0.00  -0.00  -0.00    -0.02  -0.00  -0.00
   110   1    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.01   0.01  -0.00
   111   1     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
   112   1    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.01  -0.00  -0.00
   113   1     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
   114   1     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.01   0.00
   115   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.02   0.03   0.01
   116   1    -0.00   0.00   0.00    -0.00  -0.00   0.00     0.01   0.00  -0.00
   117   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.02   0.03   0.00
   118   1     0.08  -0.05  -0.01    -0.46   0.29   0.03    -0.00   0.00   0.00
   119   1    -0.00  -0.00  -0.00     0.01   0.00   0.00    -0.00  -0.00  -0.00
   120   1    -0.00  -0.09  -0.02     0.03   0.53   0.15    -0.00  -0.00  -0.00
   121   1    -0.03   0.02   0.00     0.15  -0.10  -0.02     0.00  -0.00  -0.00
   122   1    -0.02  -0.00  -0.00     0.12  -0.00   0.01    -0.00   0.00  -0.00
   123   1     0.04   0.06   0.02    -0.18  -0.31  -0.10     0.00   0.00   0.00
   124   1    -0.00   0.01   0.00     0.03  -0.05  -0.01    -0.00   0.00   0.00
   125   1     0.08  -0.00   0.01    -0.40   0.01  -0.03     0.00  -0.00   0.00
   126  17     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
                    343                    344                    345
                      A                      A                      A
 Frequencies --   3193.4844              3193.7978              3195.5022
 Red. masses --      1.0884                 1.0888                 1.0885
 Frc consts  --      6.5401                 6.5435                 6.5490
 IR Inten    --     18.6778                14.0104                30.6289
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
     2   6    -0.01   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
     3   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
     4   6     0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
     5   6    -0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
     6   6     0.00  -0.00  -0.00     0.01  -0.03  -0.00    -0.00   0.00  -0.00
     7   6     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     8   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     9   6    -0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    10   6    -0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    11   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    12   6    -0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    13   6     0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    14   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    15   7     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    16   6     0.00   0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    17   6     0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    18   7    -0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    19   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.01   0.00
    20   6     0.00   0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
    21   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    22   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.01  -0.00
    23   6    -0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    24   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    25   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    26   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    27   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    28   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    29   6    -0.01  -0.01   0.01     0.00   0.00  -0.00     0.00   0.00  -0.00
    30   6    -0.01   0.03  -0.02     0.00  -0.00   0.00     0.00  -0.00   0.00
    31   6    -0.01   0.00  -0.00    -0.06   0.01  -0.04     0.00  -0.00   0.00
    32   6     0.00  -0.00   0.00     0.01  -0.02   0.02    -0.00   0.00  -0.00
    33   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    34   6    -0.02   0.00  -0.02     0.00  -0.00   0.00     0.00  -0.00   0.00
    35   6     0.01  -0.05   0.04    -0.00   0.01  -0.01    -0.00   0.00  -0.00
    36   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.01   0.02  -0.02
    37   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.01  -0.01   0.01
    38   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
    39   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.01   0.02  -0.02
    40   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.05  -0.04   0.04
    41   7    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    42   7    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
    43   7    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    44   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    45   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    46   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    47   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
    48   6     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    49   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
    50   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    51   6     0.00   0.00   0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    52   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    53   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
    54   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    55   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    56   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    57   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    58   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
    59   6    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
    60   6     0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
    61   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    62   6     0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    63   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    64   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    65   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    66   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    67   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    68   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    69   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    70   6    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    71   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
    72   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    73   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    74   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    75   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    76   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    77   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    78   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    79   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    80   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    81   1     0.06  -0.01  -0.00    -0.02   0.00   0.00     0.00  -0.00  -0.00
    82   1     0.00  -0.00   0.00     0.06  -0.02   0.00    -0.00   0.00  -0.00
    83   1    -0.01   0.02   0.00    -0.09   0.32   0.00     0.00  -0.00  -0.00
    84   1     0.02   0.02   0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    85   1    -0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    86   1     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    87   1    -0.00   0.01  -0.00    -0.00   0.01  -0.00    -0.01   0.07  -0.00
    88   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.04   0.03   0.00
    89   1     0.00  -0.00   0.00     0.00  -0.00  -0.00     0.02  -0.09   0.00
    90   1     0.01   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    91   1     0.01  -0.01   0.01    -0.00   0.00  -0.00     0.00  -0.00   0.00
    92   1     0.12   0.10  -0.10    -0.01  -0.01   0.01    -0.00  -0.00   0.00
    93   1     0.13  -0.36   0.26    -0.01   0.02  -0.01    -0.00   0.00  -0.00
    94   1     0.07  -0.01   0.05     0.71  -0.10   0.47    -0.00   0.00  -0.00
    95   1    -0.01   0.05  -0.04    -0.05   0.28  -0.20     0.00  -0.00   0.00
    96   1     0.26  -0.04   0.18    -0.01   0.00  -0.01    -0.00   0.00  -0.00
    97   1    -0.10   0.64  -0.45     0.01  -0.09   0.06     0.00  -0.00   0.00
    98   1     0.00  -0.00   0.00     0.00  -0.00  -0.00     0.08  -0.25   0.17
    99   1     0.00   0.00  -0.00     0.00   0.00  -0.00     0.11   0.08  -0.09
   100   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.10  -0.29   0.20
   101   1     0.00   0.00  -0.00     0.00   0.00  -0.00     0.56   0.43  -0.46
   102   1     0.02  -0.01  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
   103   1     0.01   0.01   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
   104   1    -0.00  -0.03  -0.01     0.00   0.00   0.00     0.00   0.00   0.00
   105   1     0.01  -0.01  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
   106   1    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
   107   1     0.00   0.01   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
   108   1     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
   109   1     0.01   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
   110   1     0.02   0.01  -0.00     0.04   0.02  -0.00     0.00   0.00  -0.00
   111   1    -0.00   0.00   0.00     0.00   0.03   0.00     0.00   0.00   0.00
   112   1     0.01  -0.01  -0.00     0.04  -0.03  -0.02    -0.00   0.00   0.00
   113   1    -0.00  -0.00   0.00     0.02   0.01  -0.00     0.00   0.00  -0.00
   114   1     0.01   0.01   0.00    -0.00  -0.01  -0.00     0.00   0.00   0.00
   115   1    -0.03   0.05   0.02    -0.00   0.00   0.00     0.00  -0.00  -0.00
   116   1     0.02   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
   117   1     0.03   0.04   0.00     0.00   0.01   0.00     0.00   0.00   0.00
   118   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.02  -0.01  -0.00
   119   1     0.00   0.00   0.00     0.00   0.00   0.00     0.01   0.01   0.00
   120   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.02  -0.01
   121   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.01  -0.00  -0.00
   122   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.03  -0.00   0.00
   123   1     0.00   0.00   0.00     0.00   0.00   0.00     0.02   0.04   0.01
   124   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.01  -0.03  -0.01
   125   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.04  -0.00   0.00
   126  17    -0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
                    346                    347                    348
                      A                      A                      A
 Frequencies --   3195.8543              3198.0457              3202.3604
 Red. masses --      1.0893                 1.0887                 1.0891
 Frc consts  --      6.5551                 6.5607                 6.5802
 IR Inten    --     17.2604                14.8234                 2.2942
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
     2   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
     3   6     0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
     4   6    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     5   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.02   0.01   0.00
     6   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.02  -0.08  -0.00
     7   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
     8   6    -0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     9   6     0.00   0.00  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    10   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    11   6     0.00   0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
    12   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    13   6     0.00  -0.00  -0.00    -0.00   0.02   0.00     0.00  -0.00  -0.00
    14   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    15   7     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    16   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    17   6     0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    18   7    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    19   6    -0.00   0.02  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    20   6     0.01   0.01  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    21   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    22   6    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    23   6    -0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    24   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
    25   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    26   6     0.00   0.00  -0.00    -0.05  -0.04   0.04    -0.00  -0.00   0.00
    27   6     0.00  -0.00   0.00    -0.01   0.03  -0.02    -0.00   0.00  -0.00
    28   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    29   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    30   6    -0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    31   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.02  -0.00   0.01
    32   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.01  -0.01
    33   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    34   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    35   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    36   6     0.02  -0.06   0.04     0.00  -0.00   0.00     0.00  -0.00   0.00
    37   6     0.02   0.01  -0.02     0.00   0.00  -0.00    -0.00   0.00  -0.00
    38   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    39   6    -0.00   0.01  -0.01     0.00  -0.00   0.00    -0.00   0.00  -0.00
    40   6    -0.02  -0.01   0.02     0.00   0.00  -0.00     0.00   0.00  -0.00
    41   7    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    42   7     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    43   7     0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    44   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
    45   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
    46   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
    47   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    48   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    49   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    50   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    51   6    -0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
    52   6    -0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    53   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
    54   6    -0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    55   6    -0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    56   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    57   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    58   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    59   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    60   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    61   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    62   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    63   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    64   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    65   6    -0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    66   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    67   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    68   6     0.00   0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
    69   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    70   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    71   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    72   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    73   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    74   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
    75   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    76   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    77   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    78   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    79   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    80   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    81   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.01   0.00   0.00
    82   1    -0.00   0.00   0.00     0.00  -0.00   0.00     0.22  -0.06  -0.00
    83   1     0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.24   0.87   0.00
    84   1    -0.00  -0.00  -0.00    -0.01  -0.01  -0.00     0.01   0.01   0.00
    85   1    -0.00   0.01   0.00     0.05  -0.21  -0.00    -0.00   0.00   0.00
    86   1    -0.01  -0.01   0.00    -0.01  -0.01  -0.00     0.00   0.00  -0.00
    87   1     0.05  -0.21   0.00     0.00  -0.01   0.00    -0.00   0.00  -0.00
    88   1    -0.10  -0.09  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    89   1     0.01  -0.05   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    90   1    -0.01  -0.00   0.00     0.58   0.46  -0.47     0.00   0.00  -0.00
    91   1    -0.00   0.00  -0.00     0.12  -0.32   0.23     0.00  -0.00   0.00
    92   1    -0.00  -0.00   0.00     0.01   0.01  -0.01    -0.00  -0.00   0.00
    93   1     0.00  -0.00   0.00    -0.01   0.03  -0.02    -0.00   0.00  -0.00
    94   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.23   0.03  -0.15
    95   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.03  -0.17   0.12
    96   1     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.01   0.00  -0.00
    97   1    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.02  -0.02
    98   1    -0.22   0.65  -0.46    -0.00   0.01  -0.00    -0.00   0.00  -0.00
    99   1    -0.22  -0.16   0.18    -0.00  -0.00   0.00    -0.00  -0.00   0.00
   100   1     0.03  -0.09   0.06    -0.00   0.00  -0.00     0.00  -0.00   0.00
   101   1     0.23   0.17  -0.19    -0.00  -0.00   0.00    -0.00  -0.00   0.00
   102   1    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
   103   1    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
   104   1     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
   105   1    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
   106   1    -0.00  -0.00  -0.00     0.05   0.00   0.00    -0.00  -0.00  -0.00
   107   1    -0.00  -0.00  -0.00     0.01   0.03   0.01     0.00   0.00   0.00
   108   1    -0.00   0.00   0.00     0.02  -0.04  -0.01    -0.00   0.00   0.00
   109   1    -0.00  -0.00  -0.00     0.04   0.00   0.00    -0.00  -0.00  -0.00
   110   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.03  -0.02   0.00
   111   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.05  -0.01
   112   1    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
   113   1     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.04  -0.02   0.01
   114   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
   115   1    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
   116   1     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.01   0.00  -0.00
   117   1     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
   118   1    -0.03   0.02   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
   119   1    -0.03  -0.01  -0.01     0.00   0.00   0.00     0.00   0.00   0.00
   120   1     0.00   0.04   0.01     0.00   0.00   0.00     0.00   0.00   0.00
   121   1    -0.02   0.02   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
   122   1     0.01  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
   123   1     0.01   0.01   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
   124   1     0.00  -0.01  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
   125   1     0.01  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
   126  17     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
                    349                    350                    351
                      A                      A                      A
 Frequencies --   3204.6271              3204.6606              3204.9633
 Red. masses --      1.0947                 1.0946                 1.0948
 Frc consts  --      6.6239                 6.6235                 6.6255
 IR Inten    --     24.3723                22.9367                23.6377
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     2   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
     3   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     4   6     0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
     5   6    -0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
     6   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     7   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     8   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
     9   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    10   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    11   6     0.00   0.00   0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
    12   6     0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    13   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    14   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    15   7    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    16   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    17   6    -0.00  -0.00   0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    18   7     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    19   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    20   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    21   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    22   6    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    23   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    24   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    25   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    26   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    27   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    28   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    29   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    30   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    31   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    32   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    33   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
    34   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    35   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    36   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    37   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    38   6     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    39   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    40   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    41   7    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    42   7    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
    43   7    -0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    44   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    45   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    46   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    47   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
    48   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    49   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    50   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    51   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    52   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    53   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    54   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    55   6     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    56   6    -0.03   0.02   0.00     0.01  -0.01  -0.00    -0.00   0.00   0.00
    57   6    -0.05  -0.03  -0.01     0.02   0.01   0.00    -0.00  -0.00  -0.00
    58   6     0.00  -0.02  -0.01    -0.00   0.01   0.00     0.00  -0.00  -0.00
    59   6    -0.02   0.02   0.00     0.01  -0.01  -0.00    -0.00   0.00   0.00
    60   6     0.01   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    61   6    -0.01  -0.01  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    62   6     0.01  -0.02  -0.00    -0.00   0.01   0.00     0.00  -0.00  -0.00
    63   6     0.01   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    64   6    -0.01  -0.00   0.00    -0.02  -0.01   0.00     0.00   0.00  -0.00
    65   6    -0.00  -0.01  -0.00    -0.00  -0.05  -0.01     0.00   0.00   0.00
    66   6     0.00  -0.00  -0.00     0.02  -0.01  -0.00    -0.00   0.00   0.00
    67   6    -0.01  -0.00   0.00    -0.02  -0.01   0.00     0.00   0.00  -0.00
    68   6     0.00   0.01   0.00     0.01   0.02   0.00     0.00   0.00   0.00
    69   6     0.00  -0.01  -0.00     0.01  -0.02  -0.00     0.00  -0.00  -0.00
    70   6     0.02   0.00  -0.00     0.04   0.00  -0.01     0.00   0.00  -0.00
    71   6     0.00   0.01   0.00     0.01   0.02   0.00     0.00   0.00   0.00
    72   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.01   0.01   0.00
    73   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.03  -0.02  -0.01
    74   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.01  -0.00
    75   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.01   0.01   0.00
    76   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.03   0.00   0.00
    77   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.01  -0.02  -0.01
    78   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.03  -0.05  -0.01
    79   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.03   0.00   0.00
    80   1     0.00   0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    81   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    82   1     0.00  -0.00  -0.00     0.01  -0.00  -0.00     0.00  -0.00  -0.00
    83   1    -0.00   0.02   0.00    -0.01   0.04   0.00    -0.00   0.00   0.00
    84   1    -0.01  -0.01  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    85   1     0.00  -0.01  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    86   1    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
    87   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.01   0.00
    88   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.01  -0.01  -0.00
    89   1     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.01   0.00
    90   1     0.01   0.01  -0.01    -0.01  -0.00   0.00     0.00   0.00  -0.00
    91   1    -0.01   0.02  -0.01     0.00  -0.01   0.00    -0.00   0.00  -0.00
    92   1     0.04   0.03  -0.03    -0.01  -0.01   0.01     0.00   0.00  -0.00
    93   1    -0.02   0.04  -0.03     0.01  -0.01   0.01    -0.00   0.00  -0.00
    94   1    -0.01   0.00  -0.01    -0.04   0.01  -0.03     0.00  -0.00   0.00
    95   1    -0.00   0.01  -0.01    -0.00   0.03  -0.02     0.00  -0.00   0.00
    96   1    -0.01   0.00  -0.01    -0.04   0.00  -0.03    -0.00   0.00  -0.00
    97   1    -0.00   0.01  -0.01    -0.01   0.03  -0.02    -0.00   0.00  -0.00
    98   1    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.01   0.02  -0.02
    99   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.02   0.02  -0.02
   100   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.01   0.04  -0.02
   101   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.04   0.03  -0.03
   102   1     0.32  -0.20  -0.02    -0.10   0.06   0.01     0.00  -0.00  -0.00
   103   1     0.59   0.31   0.14    -0.19  -0.10  -0.04     0.00   0.00   0.00
   104   1     0.00   0.24   0.07    -0.00  -0.08  -0.02     0.00   0.00   0.00
   105   1     0.28  -0.17  -0.03    -0.09   0.06   0.01     0.00  -0.00  -0.00
   106   1    -0.12  -0.00  -0.01     0.04   0.00   0.00    -0.00  -0.00  -0.00
   107   1     0.06   0.10   0.03    -0.02  -0.03  -0.01     0.00   0.00   0.00
   108   1    -0.14   0.22   0.05     0.05  -0.07  -0.02    -0.00   0.00   0.00
   109   1    -0.12  -0.00  -0.01     0.04   0.00   0.00    -0.00  -0.00  -0.00
   110   1     0.07   0.04  -0.01     0.24   0.13  -0.02    -0.00  -0.00   0.00
   111   1     0.01   0.15   0.03     0.02   0.51   0.09    -0.00  -0.00  -0.00
   112   1    -0.05   0.03   0.02    -0.16   0.10   0.05     0.00  -0.00  -0.00
   113   1     0.07   0.04  -0.01     0.22   0.12  -0.03    -0.00  -0.00   0.00
   114   1    -0.04  -0.08  -0.01    -0.12  -0.23  -0.02    -0.00  -0.00  -0.00
   115   1    -0.03   0.05   0.02    -0.09   0.16   0.05    -0.00   0.00   0.00
   116   1    -0.18  -0.00   0.04    -0.50  -0.01   0.10    -0.01  -0.00   0.00
   117   1    -0.05  -0.08  -0.01    -0.13  -0.24  -0.01    -0.00  -0.00  -0.00
   118   1     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.17  -0.11  -0.01
   119   1     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.36   0.18   0.08
   120   1     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.01   0.16   0.05
   121   1     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.16  -0.11  -0.02
   122   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.31   0.00  -0.03
   123   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.13   0.21   0.07
   124   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.32   0.56   0.12
   125   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.35   0.01  -0.03
   126  17    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
                    352                    353                    354
                      A                      A                      A
 Frequencies --   3205.2160              3205.4583              3205.5839
 Red. masses --      1.0947                 1.0948                 1.0948
 Frc consts  --      6.6260                 6.6278                 6.6282
 IR Inten    --     63.5233                67.6387                51.6414
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00   0.00
     2   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     3   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00   0.00
     4   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
     5   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     6   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     7   6     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
     8   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
     9   6    -0.00  -0.00   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    10   6     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    11   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    12   6    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    13   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    14   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    15   7     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
    16   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    17   6     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    18   7    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    19   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    20   6     0.00   0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    21   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    22   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
    23   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    24   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    25   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
    26   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    27   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    28   6    -0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    29   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    30   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    31   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    32   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    33   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    34   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    35   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    36   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    37   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    38   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    39   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    40   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    41   7    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    42   7     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    43   7    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    44   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    45   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    46   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    47   6    -0.00  -0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    48   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    49   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    50   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    51   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    52   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    53   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    54   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    55   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    56   6     0.00  -0.00  -0.00     0.01  -0.01  -0.00     0.00  -0.00  -0.00
    57   6     0.00   0.00   0.00     0.02   0.01   0.00     0.00   0.00   0.00
    58   6    -0.00  -0.00  -0.00    -0.00   0.01   0.00    -0.00   0.00   0.00
    59   6     0.00  -0.00  -0.00     0.01  -0.01  -0.00     0.00  -0.00  -0.00
    60   6     0.00   0.00   0.00     0.03   0.00   0.00     0.00   0.00   0.00
    61   6    -0.00  -0.00  -0.00    -0.01  -0.02  -0.01    -0.00  -0.00  -0.00
    62   6     0.00  -0.00  -0.00     0.03  -0.05  -0.01     0.00  -0.00  -0.00
    63   6     0.00   0.00   0.00     0.04   0.00   0.00     0.00   0.00   0.00
    64   6    -0.03  -0.01   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    65   6    -0.00  -0.05  -0.01     0.00   0.00   0.00     0.00   0.00   0.00
    66   6     0.02  -0.01  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    67   6    -0.02  -0.01   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    68   6    -0.01  -0.02  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    69   6    -0.01   0.01   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    70   6    -0.05  -0.00   0.01     0.00   0.00  -0.00     0.00   0.00  -0.00
    71   6    -0.01  -0.03  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    72   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.03   0.02   0.00
    73   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.05  -0.03  -0.01
    74   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.02  -0.01
    75   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.02   0.02   0.00
    76   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.02  -0.00  -0.00
    77   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.01   0.01   0.00
    78   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.02   0.03   0.01
    79   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.02  -0.00  -0.00
    80   1    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    81   1    -0.01   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    82   1     0.01  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    83   1    -0.01   0.03   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    84   1     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    85   1     0.00  -0.00  -0.00     0.01  -0.03  -0.00     0.00  -0.00  -0.00
    86   1     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    87   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.01   0.00
    88   1    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.02  -0.02  -0.00
    89   1     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    90   1     0.00   0.00  -0.00     0.05   0.04  -0.04     0.00   0.00  -0.00
    91   1    -0.00   0.00  -0.00    -0.01   0.02  -0.02    -0.00   0.00  -0.00
    92   1     0.00   0.00  -0.00    -0.01  -0.01   0.01    -0.00  -0.00   0.00
    93   1     0.00  -0.00   0.00     0.01  -0.02   0.01     0.00  -0.00   0.00
    94   1    -0.05   0.01  -0.03     0.00  -0.00   0.00     0.00  -0.00   0.00
    95   1    -0.00   0.02  -0.01     0.00  -0.00   0.00     0.00  -0.00   0.00
    96   1     0.03  -0.00   0.02    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    97   1     0.01  -0.03   0.02    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    98   1    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.01   0.04  -0.03
    99   1     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.03   0.02  -0.02
   100   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.01  -0.01   0.01
   101   1    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.02  -0.02   0.02
   102   1    -0.00   0.00   0.00    -0.15   0.09   0.01    -0.02   0.01   0.00
   103   1    -0.00  -0.00  -0.00    -0.23  -0.12  -0.05    -0.02  -0.01  -0.01
   104   1     0.00   0.00   0.00    -0.00  -0.08  -0.02    -0.00  -0.01  -0.00
   105   1    -0.00   0.00   0.00    -0.12   0.07   0.01    -0.01   0.01   0.00
   106   1    -0.03  -0.00  -0.00    -0.33  -0.01  -0.04    -0.03  -0.00  -0.00
   107   1     0.01   0.02   0.01     0.14   0.24   0.08     0.01   0.02   0.01
   108   1    -0.03   0.05   0.01    -0.36   0.59   0.13    -0.03   0.05   0.01
   109   1    -0.03  -0.00  -0.00    -0.39  -0.00  -0.03    -0.03  -0.00  -0.00
   110   1     0.28   0.15  -0.03    -0.02  -0.01   0.00    -0.01  -0.01   0.00
   111   1     0.02   0.52   0.09    -0.00  -0.03  -0.01    -0.00  -0.02  -0.00
   112   1    -0.16   0.09   0.05     0.01  -0.01  -0.00     0.01  -0.00  -0.00
   113   1     0.24   0.13  -0.03    -0.02  -0.01   0.00    -0.01  -0.00   0.00
   114   1     0.13   0.24   0.02    -0.01  -0.02  -0.00    -0.00  -0.01  -0.00
   115   1     0.09  -0.15  -0.05    -0.01   0.01   0.00    -0.00   0.01   0.00
   116   1     0.52   0.01  -0.11    -0.04  -0.00   0.01    -0.02  -0.00   0.00
   117   1     0.15   0.28   0.02    -0.01  -0.02  -0.00    -0.01  -0.01  -0.00
   118   1     0.01  -0.01  -0.00    -0.03   0.02   0.00     0.31  -0.20  -0.02
   119   1     0.02   0.01   0.00    -0.05  -0.03  -0.01     0.56   0.28   0.12
   120   1     0.00   0.01   0.00    -0.00  -0.02  -0.01     0.01   0.24   0.07
   121   1     0.01  -0.01  -0.00    -0.02   0.02   0.00     0.26  -0.17  -0.03
   122   1     0.00  -0.00   0.00    -0.02   0.00  -0.00     0.19  -0.00   0.02
   123   1    -0.00  -0.00  -0.00     0.01   0.01   0.00    -0.07  -0.12  -0.04
   124   1     0.00  -0.00  -0.00    -0.02   0.03   0.01     0.19  -0.33  -0.07
   125   1     0.00  -0.00   0.00    -0.02   0.00  -0.00     0.25  -0.00   0.02
   126  17    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
                    355                    356                    357
                      A                      A                      A
 Frequencies --   3210.7357              3211.0726              3213.4329
 Red. masses --      1.0923                 1.0915                 1.0947
 Frc consts  --      6.6344                 6.6309                 6.6604
 IR Inten    --      5.6738                 2.6075                11.2453
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
     2   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.01  -0.00  -0.00
     3   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     4   6     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     5   6    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
     6   6     0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     7   6    -0.00   0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
     8   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     9   6    -0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
    10   6     0.00  -0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    11   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    12   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    13   6    -0.00   0.02   0.00     0.02  -0.08  -0.00    -0.00   0.00   0.00
    14   6     0.00  -0.00  -0.00    -0.01  -0.00   0.00     0.00   0.00  -0.00
    15   7    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    16   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
    17   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    18   7    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    19   6     0.01  -0.02   0.00     0.00  -0.01   0.00    -0.00   0.00  -0.00
    20   6    -0.06  -0.05  -0.00    -0.01  -0.01  -0.00     0.00   0.00   0.00
    21   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    22   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
    23   6     0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    24   6     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    25   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    26   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    27   6     0.00  -0.00   0.00    -0.01   0.02  -0.01    -0.00   0.00  -0.00
    28   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    29   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    30   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    31   6    -0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.01   0.00  -0.01
    32   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.03  -0.02
    33   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    34   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.04   0.00  -0.03
    35   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.02  -0.01
    36   6     0.00  -0.01   0.01     0.00  -0.00   0.00     0.00  -0.00   0.00
    37   6     0.01   0.01  -0.01     0.00   0.00  -0.00    -0.00  -0.00   0.00
    38   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    39   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    40   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    41   7     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
    42   7    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    43   7    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
    44   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    45   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    46   6    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    47   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
    48   6    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    49   6     0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    50   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    51   6    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    52   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    53   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    54   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    55   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    56   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    57   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    58   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    59   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    60   6     0.00  -0.00   0.00    -0.01   0.00  -0.00    -0.00   0.00  -0.00
    61   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    62   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    63   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    64   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    65   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.01  -0.00
    66   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.01  -0.01  -0.00
    67   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.02   0.01  -0.00
    68   6     0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.02  -0.04  -0.00
    69   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.01  -0.02  -0.01
    70   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.02   0.00  -0.00
    71   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.01   0.00
    72   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    73   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    74   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    75   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    76   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    77   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    78   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    79   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    80   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    81   1     0.00  -0.00  -0.00    -0.02   0.01   0.00    -0.07   0.02   0.00
    82   1     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.01   0.00   0.00
    83   1    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.01  -0.03  -0.00
    84   1    -0.00  -0.00  -0.00     0.02   0.02   0.00     0.03   0.03   0.00
    85   1     0.05  -0.19  -0.00    -0.22   0.90   0.01     0.00  -0.01  -0.00
    86   1     0.00   0.00  -0.00     0.04   0.04  -0.00    -0.00  -0.00  -0.00
    87   1    -0.05   0.23  -0.00    -0.01   0.06  -0.00     0.00  -0.00   0.00
    88   1     0.67   0.61   0.00     0.14   0.13   0.00    -0.00  -0.00  -0.00
    89   1    -0.01   0.04   0.00    -0.00   0.01   0.00     0.00  -0.00  -0.00
    90   1    -0.02  -0.01   0.01     0.07   0.06  -0.06    -0.00  -0.00   0.00
    91   1    -0.02   0.04  -0.03     0.08  -0.21   0.14     0.00  -0.01   0.01
    92   1     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.05  -0.04   0.04
    93   1     0.00  -0.00   0.00    -0.01   0.01  -0.01     0.01  -0.02   0.01
    94   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.13  -0.02   0.08
    95   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.05  -0.30   0.21
    96   1    -0.00   0.00  -0.00     0.01  -0.00   0.00     0.46  -0.06   0.31
    97   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.03  -0.18   0.12
    98   1    -0.03   0.09  -0.06    -0.01   0.02  -0.01    -0.00   0.00  -0.00
    99   1    -0.16  -0.12   0.13    -0.03  -0.03   0.03     0.00   0.00  -0.00
   100   1     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
   101   1     0.01   0.01  -0.01     0.00   0.00  -0.00     0.00   0.00  -0.00
   102   1    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.01  -0.01  -0.00
   103   1    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.02   0.01   0.00
   104   1    -0.00  -0.00  -0.00     0.00   0.01   0.00     0.00   0.03   0.01
   105   1     0.00  -0.00  -0.00    -0.01   0.01   0.00    -0.05   0.03   0.01
   106   1    -0.01  -0.00  -0.00     0.06   0.00   0.01     0.01   0.00   0.00
   107   1    -0.00  -0.01  -0.00     0.02   0.04   0.01     0.00   0.01   0.00
   108   1     0.00  -0.01  -0.00    -0.02   0.04   0.01    -0.00   0.00   0.00
   109   1     0.00   0.00   0.00    -0.02  -0.00  -0.00    -0.00  -0.00  -0.00
   110   1     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.04   0.02  -0.00
   111   1     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.11   0.02
   112   1    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.14   0.09   0.05
   113   1    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.28  -0.15   0.03
   114   1    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.22   0.40   0.03
   115   1     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.12   0.20   0.07
   116   1     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.17  -0.01   0.03
   117   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.04  -0.06  -0.00
   118   1     0.02  -0.01  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
   119   1     0.04   0.02   0.01     0.01   0.00   0.00    -0.00  -0.00  -0.00
   120   1     0.00   0.04   0.01     0.00   0.01   0.00    -0.00  -0.00  -0.00
   121   1    -0.04   0.03   0.00    -0.01   0.01   0.00     0.00  -0.00  -0.00
   122   1     0.01  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
   123   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
   124   1    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
   125   1    -0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
   126  17    -0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
                    358                    359                    360
                      A                      A                      A
 Frequencies --   3213.7413              3214.5071              3214.5585
 Red. masses --      1.0948                 1.0948                 1.0952
 Frc consts  --      6.6619                 6.6650                 6.6677
 IR Inten    --      6.8794                 9.4897                 6.2462
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
     2   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.01  -0.00  -0.00
     3   6     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
     4   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     5   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     6   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     7   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     8   6    -0.00   0.00   0.00     0.00  -0.00   0.00     0.00   0.00   0.00
     9   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    10   6    -0.00   0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    11   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    12   6     0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    13   6     0.00  -0.01  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    14   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    15   7     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    16   6     0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    17   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    18   7     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
    19   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    20   6    -0.00  -0.00  -0.00     0.01   0.00   0.00    -0.00  -0.00  -0.00
    21   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    22   6    -0.00   0.00  -0.00     0.00  -0.01   0.00    -0.00   0.00  -0.00
    23   6     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    24   6     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
    25   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    26   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    27   6     0.00  -0.01   0.01     0.00  -0.00   0.00     0.00  -0.00   0.00
    28   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
    29   6    -0.04  -0.03   0.03     0.00   0.00  -0.00    -0.00  -0.00   0.00
    30   6     0.01  -0.02   0.01    -0.00   0.00  -0.00     0.00  -0.00   0.00
    31   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.02  -0.00   0.01
    32   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.01  -0.04   0.02
    33   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    34   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.02   0.00  -0.02
    35   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.01  -0.01
    36   6     0.00  -0.00   0.00    -0.00   0.01  -0.01     0.00  -0.00   0.00
    37   6     0.00   0.00  -0.00     0.02   0.01  -0.01    -0.00  -0.00   0.00
    38   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    39   6    -0.00   0.00  -0.00    -0.01   0.04  -0.03     0.00  -0.00   0.00
    40   6     0.00   0.00  -0.00     0.02   0.01  -0.01    -0.00  -0.00   0.00
    41   7    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    42   7     0.00  -0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    43   7    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    44   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    45   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    46   6     0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    47   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    48   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    49   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    50   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    51   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    52   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    53   6    -0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    54   6    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
    55   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    56   6     0.01  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    57   6     0.02   0.01   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    58   6     0.00   0.03   0.01    -0.00  -0.00  -0.00     0.00   0.00   0.00
    59   6    -0.04   0.02   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    60   6     0.01  -0.00   0.00     0.00   0.00   0.00     0.00  -0.00   0.00
    61   6     0.00   0.01   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    62   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    63   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    64   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.01   0.00  -0.00
    65   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.02   0.00
    66   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.02   0.01   0.01
    67   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.04  -0.02   0.00
    68   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.02  -0.03  -0.00
    69   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.01  -0.01  -0.00
    70   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.01   0.00  -0.00
    71   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.01   0.00
    72   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    73   6     0.00   0.00   0.00    -0.01  -0.00  -0.00     0.00   0.00   0.00
    74   6    -0.00  -0.00  -0.00    -0.00  -0.01  -0.00     0.00   0.00   0.00
    75   6     0.00  -0.00  -0.00     0.02  -0.01  -0.00    -0.00   0.00   0.00
    76   6    -0.00   0.00  -0.00    -0.05   0.00  -0.00     0.00  -0.00   0.00
    77   6    -0.00  -0.00  -0.00    -0.01  -0.02  -0.01     0.00   0.00   0.00
    78   6     0.00  -0.00  -0.00     0.01  -0.01  -0.00    -0.00   0.00   0.00
    79   6     0.00   0.00   0.00     0.01   0.00   0.00    -0.00  -0.00  -0.00
    80   1    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    81   1     0.04  -0.01  -0.00    -0.00   0.00   0.00    -0.06   0.02   0.00
    82   1     0.00  -0.00   0.00     0.00  -0.00  -0.00     0.02  -0.00  -0.00
    83   1     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.01   0.05   0.00
    84   1    -0.05  -0.05  -0.00     0.00   0.00   0.00     0.03   0.03   0.00
    85   1    -0.01   0.06   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    86   1     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    87   1    -0.00   0.00  -0.00     0.00  -0.02   0.00    -0.00   0.00  -0.00
    88   1     0.00   0.00   0.00    -0.06  -0.06  -0.00     0.00   0.00   0.00
    89   1     0.00  -0.00   0.00    -0.02   0.08  -0.00     0.00  -0.00   0.00
    90   1     0.05   0.04  -0.04     0.00   0.00  -0.00     0.01   0.00  -0.00
    91   1    -0.05   0.12  -0.09    -0.00   0.00  -0.00    -0.01   0.01  -0.01
    92   1     0.42   0.33  -0.34    -0.00  -0.00   0.00     0.01   0.01  -0.01
    93   1    -0.08   0.21  -0.14     0.00  -0.00   0.00    -0.00   0.01  -0.01
    94   1     0.02  -0.00   0.02    -0.00   0.00  -0.00    -0.21   0.03  -0.13
    95   1     0.01  -0.05   0.04    -0.00   0.00  -0.00    -0.06   0.39  -0.27
    96   1     0.04  -0.00   0.02     0.00  -0.00   0.00     0.28  -0.04   0.19
    97   1     0.00  -0.02   0.01     0.00  -0.00   0.00     0.02  -0.13   0.09
    98   1    -0.00   0.00  -0.00     0.03  -0.10   0.07    -0.00   0.00  -0.00
    99   1    -0.00  -0.00   0.00    -0.19  -0.14   0.15     0.00   0.00  -0.00
   100   1     0.00  -0.00   0.00     0.15  -0.42   0.30    -0.00   0.00  -0.00
   101   1    -0.00  -0.00   0.00    -0.16  -0.11   0.13     0.00   0.00  -0.00
   102   1    -0.07   0.04   0.01     0.00  -0.00  -0.00    -0.00   0.00   0.00
   103   1    -0.17  -0.09  -0.04     0.00   0.00   0.00    -0.01  -0.00  -0.00
   104   1    -0.01  -0.27  -0.08     0.00   0.00   0.00    -0.00  -0.01  -0.00
   105   1     0.47  -0.29  -0.05    -0.00   0.00   0.00     0.03  -0.02  -0.00
   106   1    -0.14  -0.00  -0.01    -0.00  -0.00  -0.00    -0.02  -0.00  -0.00
   107   1    -0.03  -0.06  -0.02    -0.00  -0.00  -0.00    -0.00  -0.01  -0.00
   108   1     0.02  -0.03  -0.01     0.00  -0.00  -0.00     0.00  -0.00  -0.00
   109   1     0.01   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
   110   1     0.01   0.00  -0.00    -0.00  -0.00   0.00    -0.07  -0.04   0.01
   111   1     0.00   0.02   0.00    -0.00  -0.00  -0.00    -0.01  -0.17  -0.03
   112   1    -0.02   0.02   0.01     0.00  -0.00  -0.00     0.21  -0.13  -0.07
   113   1    -0.05  -0.03   0.01     0.00   0.00  -0.00     0.46   0.25  -0.06
   114   1     0.02   0.04   0.00     0.00   0.00   0.00     0.17   0.30   0.03
   115   1    -0.01   0.02   0.01    -0.00   0.00   0.00    -0.09   0.14   0.05
   116   1    -0.02  -0.00   0.00    -0.00  -0.00   0.00    -0.12  -0.00   0.02
   117   1    -0.00  -0.01  -0.00    -0.00  -0.00  -0.00    -0.03  -0.05  -0.00
   118   1    -0.00   0.00   0.00     0.03  -0.02  -0.00    -0.00   0.00   0.00
   119   1    -0.00  -0.00  -0.00     0.08   0.04   0.02    -0.00  -0.00  -0.00
   120   1     0.00   0.00   0.00     0.01   0.14   0.04    -0.00  -0.00  -0.00
   121   1    -0.00   0.00   0.00    -0.25   0.16   0.02     0.00  -0.00  -0.00
   122   1     0.00  -0.00   0.00     0.56  -0.01   0.06    -0.01   0.00  -0.00
   123   1     0.00   0.00   0.00     0.13   0.23   0.07    -0.00  -0.00  -0.00
   124   1    -0.00   0.00   0.00    -0.09   0.15   0.03     0.00  -0.00  -0.00
   125   1    -0.00   0.00  -0.00    -0.08   0.00  -0.01     0.00  -0.00   0.00
   126  17     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
                    361                    362                    363
                      A                      A                      A
 Frequencies --   3215.6594              3215.8726              3216.7561
 Red. masses --      1.0951                 1.0950                 1.0939
 Frc consts  --      6.6716                 6.6719                 6.6691
 IR Inten    --      8.2456                 8.5629                14.3491
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     2   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.01   0.00   0.00
     3   6     0.00   0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     4   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
     5   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
     6   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     7   6     0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
     8   6    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
     9   6     0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    10   6     0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    11   6    -0.00   0.00  -0.00     0.00   0.00   0.00     0.01   0.01   0.00
    12   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
    13   6    -0.00   0.00   0.00    -0.00   0.01   0.00     0.00  -0.00  -0.00
    14   6    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
    15   7    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    16   6     0.00   0.00   0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
    17   6    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    18   7    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    19   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    20   6    -0.01  -0.01  -0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
    21   6     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    22   6     0.00  -0.01   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    23   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    24   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    25   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    26   6     0.00   0.00  -0.00     0.02   0.01  -0.01    -0.00  -0.00   0.00
    27   6    -0.00   0.00  -0.00    -0.01   0.03  -0.02     0.00  -0.00   0.00
    28   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    29   6    -0.00  -0.00   0.00    -0.01  -0.01   0.01    -0.01  -0.00   0.00
    30   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    31   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.01  -0.00   0.00
    32   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.02   0.01
    33   6     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    34   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.04  -0.00   0.03
    35   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.01   0.01
    36   6     0.01  -0.02   0.01    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    37   6    -0.03  -0.02   0.02     0.00   0.00  -0.00     0.00   0.00  -0.00
    38   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    39   6    -0.01   0.02  -0.01     0.00  -0.00   0.00    -0.00   0.00  -0.00
    40   6     0.01   0.01  -0.01    -0.00  -0.00   0.00     0.00   0.00  -0.00
    41   7    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    42   7    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    43   7     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    44   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    45   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    46   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    47   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    48   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    49   6    -0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    50   6    -0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    51   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    52   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    53   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    54   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    55   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    56   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    57   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    58   6     0.00   0.00   0.00     0.00   0.01   0.00    -0.00  -0.00  -0.00
    59   6    -0.00   0.00   0.00    -0.01   0.01   0.00     0.01  -0.01  -0.00
    60   6    -0.00  -0.00  -0.00    -0.06  -0.00  -0.01     0.00  -0.00   0.00
    61   6    -0.00  -0.00  -0.00    -0.01  -0.02  -0.01     0.00   0.00   0.00
    62   6     0.00  -0.00  -0.00     0.01  -0.01  -0.00    -0.00   0.00   0.00
    63   6     0.00   0.00   0.00     0.01   0.00   0.00    -0.00  -0.00  -0.00
    64   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    65   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.01  -0.00
    66   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.01  -0.01  -0.00
    67   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.02   0.01  -0.00
    68   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.03  -0.04  -0.00
    69   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.01  -0.02  -0.01
    70   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.01   0.00  -0.00
    71   6     0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    72   6     0.01  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    73   6     0.01   0.01   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    74   6     0.00   0.03   0.01    -0.00  -0.00  -0.00     0.00   0.00   0.00
    75   6    -0.05   0.03   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    76   6    -0.03   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    77   6    -0.01  -0.01  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    78   6     0.00  -0.01  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    79   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    80   1    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
    81   1     0.00  -0.00  -0.00     0.04  -0.01  -0.00     0.12  -0.03  -0.00
    82   1    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.01  -0.00  -0.00
    83   1     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.01   0.00
    84   1     0.00   0.00  -0.00    -0.04  -0.04  -0.00    -0.07  -0.06  -0.00
    85   1     0.00  -0.00  -0.00     0.04  -0.16  -0.00    -0.00   0.01   0.00
    86   1     0.00   0.00  -0.00    -0.01  -0.01   0.00     0.00   0.00   0.00
    87   1    -0.01   0.02  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    88   1     0.10   0.09   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    89   1    -0.02   0.08  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    90   1    -0.01  -0.00   0.00    -0.21  -0.17   0.17     0.00   0.00  -0.00
    91   1     0.00  -0.01   0.01     0.15  -0.39   0.27    -0.01   0.02  -0.01
    92   1     0.00   0.00  -0.00     0.07   0.06  -0.06     0.06   0.04  -0.05
    93   1    -0.00   0.00  -0.00    -0.02   0.05  -0.03    -0.01   0.01  -0.01
    94   1     0.00   0.00   0.00    -0.00   0.00  -0.00    -0.08   0.01  -0.05
    95   1     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.04   0.24  -0.17
    96   1    -0.00   0.00  -0.00    -0.01   0.00  -0.00    -0.45   0.06  -0.30
    97   1    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.02   0.14  -0.10
    98   1    -0.07   0.20  -0.14     0.00  -0.00   0.00     0.00  -0.00   0.00
    99   1     0.31   0.22  -0.25    -0.01  -0.00   0.00    -0.00  -0.00   0.00
   100   1     0.07  -0.19   0.13    -0.00   0.00  -0.00     0.00  -0.00   0.00
   101   1    -0.08  -0.06   0.06     0.00   0.00  -0.00    -0.00  -0.00   0.00
   102   1    -0.00   0.00   0.00    -0.03   0.02   0.00     0.01  -0.01  -0.00
   103   1    -0.00  -0.00  -0.00    -0.05  -0.03  -0.01     0.02   0.01   0.01
   104   1    -0.00  -0.00  -0.00    -0.00  -0.08  -0.02     0.00   0.04   0.01
   105   1     0.00  -0.00  -0.00     0.16  -0.10  -0.02    -0.10   0.06   0.01
   106   1     0.01   0.00   0.00     0.64   0.01   0.07    -0.00  -0.00  -0.00
   107   1     0.00   0.01   0.00     0.14   0.25   0.09    -0.00  -0.00  -0.00
   108   1    -0.00   0.00   0.00    -0.09   0.15   0.03     0.00  -0.00  -0.00
   109   1    -0.00  -0.00  -0.00    -0.08  -0.00  -0.01     0.00   0.00   0.00
   110   1     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.02   0.01  -0.00
   111   1     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.06   0.01
   112   1    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.10   0.06   0.03
   113   1    -0.00  -0.00   0.00     0.01   0.00  -0.00    -0.27  -0.15   0.03
   114   1    -0.00  -0.00  -0.00     0.01   0.03   0.00     0.28   0.51   0.04
   115   1     0.00  -0.00  -0.00    -0.01   0.01   0.00    -0.11   0.19   0.06
   116   1     0.00   0.00  -0.00    -0.01  -0.00   0.00    -0.12  -0.00   0.02
   117   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.03  -0.05  -0.00
   118   1    -0.07   0.04   0.01     0.00  -0.00  -0.00    -0.00   0.00   0.00
   119   1    -0.16  -0.08  -0.03     0.00   0.00   0.00    -0.00  -0.00  -0.00
   120   1    -0.02  -0.28  -0.08     0.00   0.01   0.00    -0.00  -0.00  -0.00
   121   1     0.51  -0.33  -0.05    -0.01   0.01   0.00     0.00  -0.00  -0.00
   122   1     0.32  -0.00   0.03    -0.01   0.00  -0.00    -0.00   0.00  -0.00
   123   1     0.07   0.12   0.04    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
   124   1    -0.05   0.08   0.02     0.00  -0.00  -0.00     0.00  -0.00  -0.00
   125   1    -0.05   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
   126  17    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
                    364                    365                    366
                      A                      A                      A
 Frequencies --   3217.1909              3217.5540              3218.0186
 Red. masses --      1.0939                 1.0943                 1.0938
 Frc consts  --      6.6707                 6.6746                 6.6737
 IR Inten    --      6.2258                 2.9917                 9.0556
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
     2   6     0.01  -0.00  -0.00     0.01  -0.00  -0.00     0.00  -0.00  -0.00
     3   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
     4   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
     5   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
     6   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     7   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
     8   6     0.00   0.00  -0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
     9   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
    10   6     0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    11   6    -0.01  -0.01  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    12   6    -0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    13   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    14   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    15   7    -0.00   0.00   0.00     0.00  -0.00   0.00     0.00   0.00   0.00
    16   6     0.00  -0.00   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    17   6    -0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    18   7    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    19   6    -0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    20   6     0.00   0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
    21   6     0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    22   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.02  -0.00
    23   6    -0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    24   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    25   6    -0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    26   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    27   6    -0.00   0.01  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    28   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    29   6     0.04   0.03  -0.03    -0.01  -0.01   0.01    -0.00  -0.00   0.00
    30   6    -0.01   0.01  -0.01     0.00  -0.00   0.00     0.00  -0.00   0.00
    31   6     0.00  -0.00   0.00     0.02  -0.00   0.01     0.00  -0.00   0.00
    32   6     0.00  -0.01   0.01     0.01  -0.04   0.03     0.00  -0.00   0.00
    33   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    34   6     0.00  -0.00   0.00    -0.02   0.00  -0.02    -0.00   0.00  -0.00
    35   6     0.00  -0.00   0.00    -0.00   0.01  -0.01    -0.00   0.00  -0.00
    36   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    37   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.01  -0.01   0.01
    38   6    -0.00   0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    39   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.02  -0.04   0.03
    40   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.01  -0.01   0.01
    41   7     0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00   0.00   0.00
    42   7    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
    43   7     0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
    44   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    45   6    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    46   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    47   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    48   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    49   6     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    50   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    51   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    52   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    53   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    54   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    55   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    56   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    57   6     0.01   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    58   6     0.00   0.02   0.01    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    59   6    -0.05   0.03   0.00     0.01  -0.00  -0.00     0.00  -0.00  -0.00
    60   6     0.01   0.00   0.00    -0.01  -0.00  -0.00     0.00   0.00   0.00
    61   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    62   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    63   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    64   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    65   6    -0.00  -0.00  -0.00    -0.00  -0.01  -0.00    -0.00  -0.00  -0.00
    66   6     0.00  -0.00  -0.00     0.01  -0.01  -0.01     0.00  -0.00  -0.00
    67   6     0.01   0.01  -0.00     0.04   0.02  -0.01     0.00   0.00  -0.00
    68   6    -0.00  -0.00  -0.00     0.01   0.02   0.00     0.00   0.00   0.00
    69   6     0.00  -0.00  -0.00    -0.01   0.01   0.00    -0.00   0.00   0.00
    70   6     0.00   0.00  -0.00    -0.01  -0.00   0.00     0.00  -0.00  -0.00
    71   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
    72   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    73   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    74   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.01  -0.00
    75   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.02  -0.01  -0.00
    76   6    -0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.05   0.00  -0.01
    77   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.01  -0.02  -0.01
    78   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.01  -0.01  -0.00
    79   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    80   1     0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    81   1    -0.11   0.03   0.00    -0.11   0.03   0.00    -0.00   0.00   0.00
    82   1    -0.00   0.00  -0.00     0.02  -0.00  -0.00     0.00  -0.00  -0.00
    83   1    -0.00   0.01   0.00    -0.01   0.04   0.00    -0.00   0.00   0.00
    84   1     0.09   0.09   0.00     0.05   0.05   0.00     0.00   0.00   0.00
    85   1     0.00  -0.01  -0.00     0.00  -0.01  -0.00    -0.00   0.00   0.00
    86   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    87   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.01  -0.00
    88   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.02   0.02   0.00
    89   1    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.04  -0.20   0.00
    90   1    -0.01  -0.01   0.01     0.00   0.00  -0.00    -0.00  -0.00   0.00
    91   1     0.03  -0.08   0.05    -0.01   0.03  -0.02     0.00  -0.00   0.00
    92   1    -0.40  -0.31   0.32     0.09   0.07  -0.07     0.00   0.00  -0.00
    93   1     0.06  -0.15   0.11    -0.02   0.05  -0.03    -0.00   0.00  -0.00
    94   1    -0.05   0.01  -0.03    -0.20   0.03  -0.13    -0.00   0.00  -0.00
    95   1    -0.02   0.12  -0.09    -0.07   0.47  -0.33    -0.00   0.00  -0.00
    96   1    -0.05   0.01  -0.03     0.26  -0.03   0.17     0.00  -0.00   0.00
    97   1    -0.00   0.03  -0.02     0.02  -0.10   0.07     0.00  -0.00   0.00
    98   1     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.02   0.05  -0.04
    99   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.16   0.12  -0.13
   100   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.18   0.50  -0.35
   101   1     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.14   0.10  -0.11
   102   1    -0.05   0.03   0.00     0.01  -0.00  -0.00     0.00  -0.00  -0.00
   103   1    -0.11  -0.06  -0.02     0.02   0.01   0.00     0.00   0.00   0.00
   104   1    -0.01  -0.23  -0.07     0.00   0.04   0.01     0.00   0.00   0.00
   105   1     0.53  -0.32  -0.05    -0.09   0.06   0.01    -0.00   0.00   0.00
   106   1    -0.14  -0.00  -0.02     0.06   0.00   0.01    -0.00  -0.00  -0.00
   107   1    -0.02  -0.05  -0.02     0.01   0.02   0.01    -0.00  -0.00  -0.00
   108   1     0.01  -0.02  -0.00    -0.01   0.01   0.00     0.00  -0.00  -0.00
   109   1     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
   110   1     0.01   0.01  -0.00     0.04   0.02  -0.00     0.00   0.00  -0.00
   111   1     0.00   0.03   0.01     0.00   0.11   0.02     0.00   0.00   0.00
   112   1    -0.05   0.03   0.02    -0.16   0.10   0.06    -0.00   0.00   0.00
   113   1    -0.14  -0.07   0.02    -0.45  -0.25   0.06    -0.00  -0.00   0.00
   114   1     0.02   0.03   0.00    -0.14  -0.25  -0.02    -0.00  -0.00  -0.00
   115   1    -0.01   0.01   0.00     0.06  -0.09  -0.03     0.00  -0.00  -0.00
   116   1    -0.01  -0.00   0.00     0.06   0.00  -0.01    -0.00  -0.00   0.00
   117   1    -0.00  -0.00  -0.00     0.02   0.03   0.00     0.00   0.00   0.00
   118   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.01  -0.01  -0.00
   119   1    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.03   0.01   0.01
   120   1    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.08   0.02
   121   1     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.18   0.12   0.02
   122   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.57  -0.01   0.06
   123   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.10   0.18   0.06
   124   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.05   0.09   0.02
   125   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.05   0.00  -0.00
   126  17     0.00   0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
                    367                    368                    369
                      A                      A                      A
 Frequencies --   3218.9834              3218.9958              3219.6691
 Red. masses --      1.0941                 1.0938                 1.0913
 Frc consts  --      6.6792                 6.6776                 6.6651
 IR Inten    --      2.2631                 6.9471                 0.0937
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     2   6    -0.00   0.00   0.00     0.02  -0.01  -0.00    -0.06   0.01   0.00
     3   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     4   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     5   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     6   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
     7   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     8   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
     9   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    10   6     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
    11   6     0.00   0.00   0.00    -0.01  -0.01  -0.00     0.04   0.03   0.00
    12   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    13   6    -0.00   0.00   0.00     0.00  -0.01  -0.00     0.00  -0.01  -0.00
    14   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    15   7    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    16   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    17   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    18   7    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
    19   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    20   6    -0.01  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    21   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    22   6     0.00  -0.02   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    23   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    24   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    25   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    26   6     0.00   0.00  -0.00    -0.02  -0.01   0.01    -0.01  -0.01   0.01
    27   6    -0.00   0.01  -0.01     0.02  -0.04   0.03     0.01  -0.02   0.01
    28   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    29   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.01   0.01  -0.01
    30   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.01  -0.01
    31   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    32   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    33   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    34   6    -0.00   0.00  -0.00     0.01  -0.00   0.00    -0.01   0.00  -0.01
    35   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.01  -0.01
    36   6     0.01  -0.02   0.01     0.00  -0.00   0.00     0.00  -0.00   0.00
    37   6    -0.04  -0.03   0.03    -0.01  -0.00   0.01    -0.00  -0.00   0.00
    38   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
    39   6    -0.01   0.01  -0.01    -0.00   0.00  -0.00     0.00  -0.00   0.00
    40   6     0.01   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    41   7     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    42   7     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    43   7     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    44   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    45   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    46   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    47   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    48   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    49   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    50   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    51   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    52   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    53   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
    54   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    55   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    56   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    57   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    58   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    59   6     0.00  -0.00  -0.00    -0.01   0.00   0.00    -0.01   0.00   0.00
    60   6     0.01   0.00   0.00    -0.05  -0.00  -0.01    -0.01  -0.00  -0.00
    61   6     0.00   0.00   0.00    -0.01  -0.02  -0.01    -0.00  -0.00  -0.00
    62   6    -0.00   0.00   0.00     0.01  -0.01  -0.00     0.00  -0.00  -0.00
    63   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    64   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    65   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    66   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    67   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    68   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    69   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    70   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    71   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    72   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    73   6    -0.01  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    74   6    -0.00  -0.02  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    75   6     0.04  -0.02  -0.00     0.01  -0.00  -0.00     0.00  -0.00  -0.00
    76   6     0.01  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    77   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    78   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    79   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    80   1     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
    81   1     0.04  -0.01  -0.00    -0.24   0.06   0.01     0.64  -0.16  -0.02
    82   1     0.00  -0.00  -0.00    -0.02   0.00   0.00     0.04  -0.01  -0.00
    83   1    -0.00   0.00   0.00     0.00  -0.01  -0.00    -0.00   0.01  -0.00
    84   1    -0.03  -0.02  -0.00     0.17   0.16   0.00    -0.41  -0.40  -0.01
    85   1     0.00  -0.01  -0.00    -0.02   0.08   0.00    -0.02   0.08   0.00
    86   1    -0.00   0.00   0.00     0.00   0.00  -0.00     0.00   0.00   0.00
    87   1    -0.00   0.01  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    88   1     0.06   0.06   0.00     0.01   0.01   0.00     0.00   0.00   0.00
    89   1    -0.04   0.21  -0.00    -0.01   0.04  -0.00    -0.00   0.01  -0.00
    90   1    -0.03  -0.03   0.03     0.19   0.15  -0.16     0.08   0.07  -0.07
    91   1     0.03  -0.08   0.06    -0.19   0.49  -0.34    -0.07   0.19  -0.13
    92   1     0.01   0.01  -0.01    -0.05  -0.04   0.04    -0.12  -0.10   0.10
    93   1    -0.00   0.00  -0.00     0.01  -0.02   0.01     0.04  -0.12   0.08
    94   1    -0.00   0.00  -0.00     0.02  -0.00   0.01    -0.03   0.00  -0.02
    95   1    -0.00   0.00  -0.00     0.00  -0.03   0.02    -0.01   0.05  -0.03
    96   1     0.01  -0.00   0.01    -0.06   0.01  -0.04     0.12  -0.02   0.08
    97   1     0.00  -0.01   0.01    -0.01   0.05  -0.03     0.02  -0.11   0.08
    98   1    -0.07   0.22  -0.15    -0.01   0.04  -0.03    -0.00   0.00  -0.00
    99   1     0.45   0.33  -0.36     0.08   0.06  -0.06     0.00   0.00  -0.00
   100   1     0.06  -0.16   0.12     0.01  -0.03   0.02    -0.00   0.00  -0.00
   101   1    -0.05  -0.04   0.04    -0.01  -0.01   0.01     0.00   0.00  -0.00
   102   1     0.00  -0.00  -0.00    -0.01   0.01   0.00    -0.01   0.00   0.00
   103   1     0.00   0.00   0.00    -0.02  -0.01  -0.00    -0.01  -0.01  -0.00
   104   1     0.00   0.00   0.00    -0.00  -0.03  -0.01    -0.00  -0.03  -0.01
   105   1    -0.01   0.01   0.00     0.06  -0.04  -0.01     0.07  -0.04  -0.01
   106   1    -0.09  -0.00  -0.01     0.54   0.01   0.06     0.16   0.00   0.02
   107   1    -0.02  -0.03  -0.01     0.09   0.17   0.06     0.03   0.05   0.02
   108   1     0.01  -0.01  -0.00    -0.05   0.08   0.02    -0.01   0.02   0.00
   109   1     0.01   0.00   0.00    -0.04  -0.00  -0.00    -0.01  -0.00  -0.00
   110   1     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
   111   1     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
   112   1    -0.00   0.00   0.00     0.01  -0.00  -0.00    -0.01   0.00   0.00
   113   1    -0.00  -0.00   0.00     0.02   0.01  -0.00    -0.02  -0.01   0.00
   114   1    -0.00  -0.00  -0.00     0.02   0.03   0.00    -0.03  -0.05  -0.00
   115   1     0.00  -0.00  -0.00    -0.01   0.01   0.00     0.01  -0.02  -0.01
   116   1     0.00   0.00  -0.00    -0.01  -0.00   0.00     0.01   0.00  -0.00
   117   1     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
   118   1     0.04  -0.02  -0.00     0.01  -0.00  -0.00     0.00  -0.00  -0.00
   119   1     0.08   0.04   0.02     0.01   0.01   0.00     0.00   0.00   0.00
   120   1     0.01   0.18   0.05     0.00   0.03   0.01     0.00   0.00   0.00
   121   1    -0.43   0.28   0.04    -0.07   0.05   0.01    -0.00   0.00   0.00
   122   1    -0.17   0.00  -0.02    -0.03   0.00  -0.00     0.00  -0.00   0.00
   123   1    -0.03  -0.05  -0.02    -0.00  -0.01  -0.00     0.00   0.00   0.00
   124   1     0.02  -0.03  -0.01     0.00  -0.00  -0.00     0.00  -0.00  -0.00
   125   1     0.02  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
   126  17    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
                    370                    371                    372
                      A                      A                      A
 Frequencies --   3220.8787              3232.4426              3238.1108
 Red. masses --      1.0916                 1.0928                 1.0866
 Frc consts  --      6.6720                 6.7272                 6.7126
 IR Inten    --     10.7485                 2.3636                18.4863
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
     2   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.05   0.01   0.00
     3   6    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
     4   6    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
     5   6     0.00  -0.00  -0.00    -0.08   0.02   0.00     0.01  -0.00  -0.00
     6   6     0.00  -0.00  -0.00    -0.00   0.02   0.00     0.00  -0.00  -0.00
     7   6    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     8   6     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     9   6    -0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    10   6     0.00   0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    11   6    -0.00  -0.00  -0.00    -0.01  -0.01  -0.00    -0.05  -0.04  -0.00
    12   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    13   6    -0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    14   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    15   7    -0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    16   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
    17   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    18   7    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    19   6    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    20   6     0.00   0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    21   6     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    22   6     0.01  -0.08   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    23   6    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    24   6     0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    25   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    26   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    27   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    28   6    -0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    29   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    30   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    31   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    32   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    33   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00   0.00
    34   6     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    35   6     0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    36   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    37   6     0.01   0.00  -0.01    -0.00  -0.00   0.00     0.00   0.00  -0.00
    38   6     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    39   6     0.01  -0.01   0.01    -0.00   0.00  -0.00     0.00  -0.00   0.00
    40   6    -0.01  -0.01   0.01    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    41   7     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
    42   7     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    43   7    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
    44   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    45   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
    46   6     0.00  -0.00   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    47   6    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    48   6    -0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    49   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    50   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    51   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    52   6     0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    53   6     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    54   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    55   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    56   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    57   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    58   6    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
    59   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    60   6     0.00  -0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    61   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    62   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    63   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00   0.00
    64   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    65   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    66   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    67   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    68   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    69   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    70   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    71   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    72   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    73   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    74   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    75   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    76   6    -0.01   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    77   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    78   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    79   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    80   1     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    81   1    -0.01   0.00   0.00     0.04  -0.01  -0.00     0.64  -0.16  -0.02
    82   1    -0.00   0.00  -0.00     0.93  -0.24  -0.00    -0.10   0.03   0.00
    83   1    -0.00   0.00   0.00     0.06  -0.23  -0.00    -0.01   0.03   0.00
    84   1     0.00   0.00   0.00     0.08   0.08   0.00     0.53   0.52   0.01
    85   1     0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.01   0.00
    86   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    87   1     0.01  -0.02   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    88   1    -0.04  -0.04   0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    89   1    -0.17   0.92  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    90   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    91   1     0.00  -0.01   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    92   1     0.00   0.00  -0.00     0.00   0.00  -0.00     0.01   0.01  -0.01
    93   1    -0.00   0.00  -0.00    -0.00   0.01  -0.01    -0.02   0.05  -0.03
    94   1    -0.00   0.00  -0.00     0.02  -0.00   0.01    -0.00   0.00  -0.00
    95   1    -0.00   0.00  -0.00     0.00  -0.01   0.00    -0.00   0.00  -0.00
    96   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.01  -0.00   0.01
    97   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.01  -0.04   0.03
    98   1     0.02  -0.05   0.03    -0.00   0.00  -0.00     0.00  -0.00   0.00
    99   1    -0.07  -0.05   0.06     0.00   0.00  -0.00    -0.00  -0.00   0.00
   100   1    -0.06   0.17  -0.12     0.00  -0.00   0.00    -0.00   0.00  -0.00
   101   1     0.13   0.10  -0.11     0.00   0.00  -0.00     0.00   0.00  -0.00
   102   1     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
   103   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
   104   1     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
   105   1    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
   106   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
   107   1    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
   108   1     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
   109   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
   110   1     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
   111   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
   112   1    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
   113   1    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
   114   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
   115   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
   116   1     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
   117   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
   118   1    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
   119   1    -0.01  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
   120   1    -0.00  -0.02  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
   121   1     0.04  -0.03  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
   122   1     0.08  -0.00   0.01     0.00   0.00   0.00    -0.00  -0.00  -0.00
   123   1     0.01   0.02   0.01    -0.00  -0.00  -0.00     0.00   0.00   0.00
   124   1    -0.01   0.01   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
   125   1    -0.01   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
   126  17    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  6 and mass  12.00000
 Atom     9 has atomic number  6 and mass  12.00000
 Atom    10 has atomic number  6 and mass  12.00000
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  6 and mass  12.00000
 Atom    13 has atomic number  6 and mass  12.00000
 Atom    14 has atomic number  6 and mass  12.00000
 Atom    15 has atomic number  7 and mass  14.00307
 Atom    16 has atomic number  6 and mass  12.00000
 Atom    17 has atomic number  6 and mass  12.00000
 Atom    18 has atomic number  7 and mass  14.00307
 Atom    19 has atomic number  6 and mass  12.00000
 Atom    20 has atomic number  6 and mass  12.00000
 Atom    21 has atomic number  6 and mass  12.00000
 Atom    22 has atomic number  6 and mass  12.00000
 Atom    23 has atomic number  6 and mass  12.00000
 Atom    24 has atomic number  6 and mass  12.00000
 Atom    25 has atomic number  6 and mass  12.00000
 Atom    26 has atomic number  6 and mass  12.00000
 Atom    27 has atomic number  6 and mass  12.00000
 Atom    28 has atomic number  6 and mass  12.00000
 Atom    29 has atomic number  6 and mass  12.00000
 Atom    30 has atomic number  6 and mass  12.00000
 Atom    31 has atomic number  6 and mass  12.00000
 Atom    32 has atomic number  6 and mass  12.00000
 Atom    33 has atomic number  6 and mass  12.00000
 Atom    34 has atomic number  6 and mass  12.00000
 Atom    35 has atomic number  6 and mass  12.00000
 Atom    36 has atomic number  6 and mass  12.00000
 Atom    37 has atomic number  6 and mass  12.00000
 Atom    38 has atomic number  6 and mass  12.00000
 Atom    39 has atomic number  6 and mass  12.00000
 Atom    40 has atomic number  6 and mass  12.00000
 Atom    41 has atomic number  7 and mass  14.00307
 Atom    42 has atomic number  7 and mass  14.00307
 Atom    43 has atomic number  7 and mass  14.00307
 Atom    44 has atomic number  6 and mass  12.00000
 Atom    45 has atomic number  6 and mass  12.00000
 Atom    46 has atomic number  6 and mass  12.00000
 Atom    47 has atomic number  6 and mass  12.00000
 Atom    48 has atomic number  6 and mass  12.00000
 Atom    49 has atomic number  6 and mass  12.00000
 Atom    50 has atomic number  6 and mass  12.00000
 Atom    51 has atomic number  6 and mass  12.00000
 Atom    52 has atomic number  6 and mass  12.00000
 Atom    53 has atomic number  6 and mass  12.00000
 Atom    54 has atomic number  6 and mass  12.00000
 Atom    55 has atomic number  6 and mass  12.00000
 Atom    56 has atomic number  6 and mass  12.00000
 Atom    57 has atomic number  6 and mass  12.00000
 Atom    58 has atomic number  6 and mass  12.00000
 Atom    59 has atomic number  6 and mass  12.00000
 Atom    60 has atomic number  6 and mass  12.00000
 Atom    61 has atomic number  6 and mass  12.00000
 Atom    62 has atomic number  6 and mass  12.00000
 Atom    63 has atomic number  6 and mass  12.00000
 Atom    64 has atomic number  6 and mass  12.00000
 Atom    65 has atomic number  6 and mass  12.00000
 Atom    66 has atomic number  6 and mass  12.00000
 Atom    67 has atomic number  6 and mass  12.00000
 Atom    68 has atomic number  6 and mass  12.00000
 Atom    69 has atomic number  6 and mass  12.00000
 Atom    70 has atomic number  6 and mass  12.00000
 Atom    71 has atomic number  6 and mass  12.00000
 Atom    72 has atomic number  6 and mass  12.00000
 Atom    73 has atomic number  6 and mass  12.00000
 Atom    74 has atomic number  6 and mass  12.00000
 Atom    75 has atomic number  6 and mass  12.00000
 Atom    76 has atomic number  6 and mass  12.00000
 Atom    77 has atomic number  6 and mass  12.00000
 Atom    78 has atomic number  6 and mass  12.00000
 Atom    79 has atomic number  6 and mass  12.00000
 Atom    80 has atomic number  1 and mass   1.00783
 Atom    81 has atomic number  1 and mass   1.00783
 Atom    82 has atomic number  1 and mass   1.00783
 Atom    83 has atomic number  1 and mass   1.00783
 Atom    84 has atomic number  1 and mass   1.00783
 Atom    85 has atomic number  1 and mass   1.00783
 Atom    86 has atomic number  1 and mass   1.00783
 Atom    87 has atomic number  1 and mass   1.00783
 Atom    88 has atomic number  1 and mass   1.00783
 Atom    89 has atomic number  1 and mass   1.00783
 Atom    90 has atomic number  1 and mass   1.00783
 Atom    91 has atomic number  1 and mass   1.00783
 Atom    92 has atomic number  1 and mass   1.00783
 Atom    93 has atomic number  1 and mass   1.00783
 Atom    94 has atomic number  1 and mass   1.00783
 Atom    95 has atomic number  1 and mass   1.00783
 Atom    96 has atomic number  1 and mass   1.00783
 Atom    97 has atomic number  1 and mass   1.00783
 Atom    98 has atomic number  1 and mass   1.00783
 Atom    99 has atomic number  1 and mass   1.00783
 Atom   100 has atomic number  1 and mass   1.00783
 Atom   101 has atomic number  1 and mass   1.00783
 Atom   102 has atomic number  1 and mass   1.00783
 Atom   103 has atomic number  1 and mass   1.00783
 Atom   104 has atomic number  1 and mass   1.00783
 Atom   105 has atomic number  1 and mass   1.00783
 Atom   106 has atomic number  1 and mass   1.00783
 Atom   107 has atomic number  1 and mass   1.00783
 Atom   108 has atomic number  1 and mass   1.00783
 Atom   109 has atomic number  1 and mass   1.00783
 Atom   110 has atomic number  1 and mass   1.00783
 Atom   111 has atomic number  1 and mass   1.00783
 Atom   112 has atomic number  1 and mass   1.00783
 Atom   113 has atomic number  1 and mass   1.00783
 Atom   114 has atomic number  1 and mass   1.00783
 Atom   115 has atomic number  1 and mass   1.00783
 Atom   116 has atomic number  1 and mass   1.00783
 Atom   117 has atomic number  1 and mass   1.00783
 Atom   118 has atomic number  1 and mass   1.00783
 Atom   119 has atomic number  1 and mass   1.00783
 Atom   120 has atomic number  1 and mass   1.00783
 Atom   121 has atomic number  1 and mass   1.00783
 Atom   122 has atomic number  1 and mass   1.00783
 Atom   123 has atomic number  1 and mass   1.00783
 Atom   124 has atomic number  1 and mass   1.00783
 Atom   125 has atomic number  1 and mass   1.00783
 Atom   126 has atomic number 17 and mass  34.96885
 Molecular mass:  1039.34417 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --  ******************************
           X            1.00000  -0.00078   0.00001
           Y            0.00078   1.00000   0.00068
           Z           -0.00001  -0.00068   1.00000
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.00110     0.00036     0.00027
 Rotational constants (GHZ):           0.02301     0.00750     0.00569
 Zero-point vibrational energy    2594895.9 (Joules/Mol)
                                  620.19501 (Kcal/Mol)
 Warning -- explicit consideration of  99 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:      6.45    11.51    14.06    14.95    15.38
          (Kelvin)             17.20    22.86    26.85    32.94    39.69
                               52.07    64.36    71.29    72.30    74.17
                               92.91    95.67   102.89   111.59   122.84
                              127.32   137.50   147.37   155.77   159.02
                              159.38   163.89   168.18   174.01   213.86
                              217.12   219.04   220.08   223.64   228.74
                              250.46   284.21   286.36   307.57   315.16
                              329.83   337.80   349.40   357.97   369.54
                              389.84   404.76   423.95   424.24   424.32
                              426.06   439.81   469.84   478.98   497.50
                              526.69   531.91   555.89   558.18   589.18
                              600.11   603.90   610.60   613.30   614.16
                              614.81   623.41   625.40   627.69   628.90
                              629.59   631.31   636.38   641.01   660.10
                              660.81   661.41   661.91   670.03   690.24
                              701.88   710.40   721.91   754.72   763.21
                              765.88   768.74   780.89   790.73   792.89
                              830.79   830.81   831.11   838.85   838.94
                              839.06   873.47   880.36   891.18   897.49
                              900.77   902.20   904.20   912.80   912.89
                              918.90   922.21   925.66   935.03   948.15
                              953.89   957.04   968.76   969.61   982.41
                             1014.67  1039.00  1040.18  1044.05  1063.72
                             1064.36  1064.54  1066.20  1067.46  1078.88
                             1082.21  1084.77  1086.99  1087.35  1088.42
                             1090.08  1099.95  1100.31  1100.38  1104.07
                             1105.83  1116.86  1124.45  1134.53  1134.76
                             1134.88  1143.39  1153.39  1177.10  1220.98
                             1222.77  1223.44  1224.77  1225.59  1225.93
                             1246.52  1247.40  1248.03  1253.55  1254.22
                             1254.67  1257.67  1258.85  1262.66  1272.23
                             1288.40  1304.68  1310.05  1342.82  1342.85
                             1343.21  1346.40  1346.50  1347.23  1347.48
                             1348.46  1348.71  1352.93  1373.21  1373.44
                             1373.94  1399.46  1400.04  1400.54  1401.04
                             1401.92  1402.61  1408.47  1408.87  1409.79
                             1410.31  1411.85  1413.16  1416.58  1438.58
                             1439.36  1461.97  1468.43  1468.55  1468.65
                             1472.52  1483.96  1487.82  1502.70  1508.22
                             1508.51  1508.75  1513.94  1518.50  1518.72
                             1519.05  1532.49  1536.13  1556.81  1583.45
                             1624.59  1624.81  1624.97  1645.44  1647.75
                             1648.16  1651.39  1651.62  1651.78  1668.32
                             1696.26  1698.42  1698.78  1698.89  1709.22
                             1709.37  1709.50  1713.31  1726.20  1726.57
                             1727.01  1751.33  1752.69  1754.27  1781.04
                             1803.78  1804.21  1804.43  1805.11  1814.88
                             1822.57  1822.84  1823.10  1843.74  1853.23
                             1859.75  1881.37  1888.03  1896.04  1897.17
                             1904.86  1906.31  1909.67  1923.62  1929.49
                             1935.99  1936.04  1936.09  1938.70  1943.37
                             1943.67  1944.79  1962.13  1978.04  1988.19
                             1990.56  1991.21  1992.75  1999.81  2000.04
                             2000.24  2009.60  2013.47  2014.18  2016.26
                             2066.91  2074.13  2076.58  2092.71  2103.54
                             2108.30  2123.99  2139.85  2140.22  2141.15
                             2147.61  2154.40  2154.65  2155.71  2185.71
                             2186.39  2186.49  2187.89  2202.22  2203.32
                             2203.75  2206.65  2226.54  2244.37  2246.14
                             2255.13  2271.28  2291.03  2309.09  2318.65
                             2322.70  2330.35  2344.53  2344.63  2344.81
                             2348.39  2348.41  2348.70  2355.61  2375.27
                             2376.28  2376.39  2376.58  2382.96  2384.86
                             2391.88  2397.81  2402.42  2408.63  2408.81
                             2409.01  2852.92  4530.88  4577.22  4577.35
                             4577.77  4578.69  4578.90  4579.25  4589.11
                             4589.26  4589.77  4591.22  4591.70  4591.77
                             4591.95  4594.41  4594.71  4595.16  4597.61
                             4598.12  4601.27  4607.48  4610.74  4610.79
                             4611.23  4611.59  4611.94  4612.12  4619.53
                             4620.02  4623.41  4623.86  4624.96  4625.03
                             4626.62  4626.92  4628.19  4628.82  4629.34
                             4630.01  4631.40  4631.42  4632.39  4634.13
                             4650.76  4658.92
 
 Zero-point correction=                           0.988344 (Hartree/Particle)
 Thermal correction to Energy=                    1.047627
 Thermal correction to Enthalpy=                  1.048571
 Thermal correction to Gibbs Free Energy=         0.884190
 Sum of electronic and zero-point Energies=          -3580.793079
 Sum of electronic and thermal Energies=             -3580.733796
 Sum of electronic and thermal Enthalpies=           -3580.732852
 Sum of electronic and thermal Free Energies=        -3580.897233
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  657.396            243.857            345.970
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             46.697
 Rotational               0.889              2.981             43.899
 Vibrational            655.618            237.896            255.374
 Vibration     1          0.593              1.987              9.604
 Vibration     2          0.593              1.987              8.455
 Vibration     3          0.593              1.987              8.056
 Vibration     4          0.593              1.987              7.935
 Vibration     5          0.593              1.987              7.878
 Vibration     6          0.593              1.987              7.656
 Vibration     7          0.593              1.986              7.091
 Vibration     8          0.593              1.986              6.772
 Vibration     9          0.593              1.985              6.366
 Vibration    10          0.593              1.984              5.996
 Vibration    11          0.594              1.982              5.457
 Vibration    12          0.595              1.980              5.038
 Vibration    13          0.595              1.978              4.835
 Vibration    14          0.595              1.977              4.808
 Vibration    15          0.596              1.977              4.757
 Vibration    16          0.597              1.971              4.312
 Vibration    17          0.598              1.970              4.255
 Vibration    18          0.598              1.968              4.111
 Vibration    19          0.599              1.964              3.952
 Vibration    20          0.601              1.959              3.763
 Vibration    21          0.601              1.957              3.693
 Vibration    22          0.603              1.952              3.543
 Vibration    23          0.604              1.947              3.408
 Vibration    24          0.606              1.943              3.300
 Vibration    25          0.606              1.941              3.260
 Vibration    26          0.607              1.941              3.255
 Vibration    27          0.607              1.938              3.201
 Vibration    28          0.608              1.935              3.151
 Vibration    29          0.609              1.932              3.085
 Vibration    30          0.618              1.904              2.690
 Vibration    31          0.618              1.902              2.661
 Vibration    32          0.619              1.900              2.644
 Vibration    33          0.619              1.899              2.635
 Vibration    34          0.620              1.897              2.605
 Vibration    35          0.621              1.893              2.562
 Vibration    36          0.627              1.874              2.391
 Vibration    37          0.637              1.843              2.156
 Vibration    38          0.637              1.841              2.142
 Vibration    39          0.644              1.820              2.011
 Vibration    40          0.647              1.812              1.967
 Vibration    41          0.652              1.796              1.885
 Vibration    42          0.655              1.788              1.842
 Vibration    43          0.659              1.775              1.782
 Vibration    44          0.662              1.765              1.739
 Vibration    45          0.666              1.751              1.683
 Vibration    46          0.675              1.727              1.590
 Vibration    47          0.681              1.708              1.526
 Vibration    48          0.689              1.684              1.447
 Vibration    49          0.689              1.683              1.446
 Vibration    50          0.689              1.683              1.446
 Vibration    51          0.690              1.681              1.439
 Vibration    52          0.696              1.663              1.386
 Vibration    53          0.710              1.622              1.277
 Vibration    54          0.715              1.610              1.246
 Vibration    55          0.724              1.584              1.185
 Vibration    56          0.739              1.542              1.096
 Vibration    57          0.742              1.534              1.081
 Vibration    58          0.755              1.499              1.014
 Vibration    59          0.756              1.496              1.008
 Vibration    60          0.774              1.450              0.928
 Vibration    61          0.780              1.433              0.902
 Vibration    62          0.782              1.427              0.893
 Vibration    63          0.786              1.417              0.877
 Vibration    64          0.788              1.413              0.871
 Vibration    65          0.789              1.412              0.869
 Vibration    66          0.789              1.411              0.867
 Vibration    67          0.794              1.398              0.848
 Vibration    68          0.795              1.395              0.844
 Vibration    69          0.797              1.391              0.838
 Vibration    70          0.797              1.389              0.836
 Vibration    71          0.798              1.388              0.834
 Vibration    72          0.799              1.386              0.830
 Vibration    73          0.802              1.378              0.819
 Vibration    74          0.805              1.371              0.809
 Vibration    75          0.817              1.341              0.770
 Vibration    76          0.817              1.340              0.768
 Vibration    77          0.818              1.339              0.767
 Vibration    78          0.818              1.339              0.766
 Vibration    79          0.823              1.326              0.750
 Vibration    80          0.836              1.295              0.711
 Vibration    81          0.844              1.277              0.689
 Vibration    82          0.849              1.264              0.674
 Vibration    83          0.857              1.246              0.654
 Vibration    84          0.880              1.196              0.599
 Vibration    85          0.885              1.183              0.586
 Vibration    86          0.887              1.179              0.582
 Vibration    87          0.889              1.174              0.578
 Vibration    88          0.898              1.156              0.559
 Vibration    89          0.905              1.141              0.545
 Vibration    90          0.906              1.137              0.542
 Vibration    91          0.934              1.080              0.490
 Vibration    92          0.934              1.080              0.490
 Vibration    93          0.934              1.080              0.490
 Vibration    94          0.940              1.068              0.480
 Vibration    95          0.940              1.068              0.480
 Vibration    96          0.940              1.068              0.480
 Vibration    97          0.966              1.017              0.438
 Vibration    98          0.971              1.007              0.430
 Vibration    99          0.979              0.991              0.417
                       Q            Log10(Q)             Ln(Q)
 Total Bot                          -406.698675       -936.458307
 Total V=0                            47.907447        110.310973
 Vib (Bot)                          -424.760787       -978.047855
 Vib (Bot)    1  0.461913D+02          1.664560          3.832792
 Vib (Bot)    2  0.259105D+02          1.413476          3.254648
 Vib (Bot)    3  0.211998D+02          1.326332          3.053992
 Vib (Bot)    4  0.199381D+02          1.299684          2.992632
 Vib (Bot)    5  0.193801D+02          1.287355          2.964244
 Vib (Bot)    6  0.173273D+02          1.238731          2.852284
 Vib (Bot)    7  0.130372D+02          1.115184          2.567807
 Vib (Bot)    8  0.110998D+02          1.045315          2.406926
 Vib (Bot)    9  0.904755D+01          0.956531          2.202494
 Vib (Bot)   10  0.750620D+01          0.875420          2.015730
 Vib (Bot)   11  0.571884D+01          0.757308          1.743766
 Vib (Bot)   12  0.462360D+01          0.664980          1.531173
 Vib (Bot)   13  0.417240D+01          0.620386          1.428491
 Vib (Bot)   14  0.411378D+01          0.614241          1.414343
 Vib (Bot)   15  0.400968D+01          0.603110          1.388711
 Vib (Bot)   16  0.319594D+01          0.504599          1.161882
 Vib (Bot)   17  0.310304D+01          0.491788          1.132383
 Vib (Bot)   18  0.288330D+01          0.459889          1.058934
 Vib (Bot)   19  0.265621D+01          0.424262          0.976899
 Vib (Bot)   20  0.241007D+01          0.382030          0.879656
 Vib (Bot)   21  0.232400D+01          0.366236          0.843290
 Vib (Bot)   22  0.214922D+01          0.332280          0.765104
 Vib (Bot)   23  0.200274D+01          0.301624          0.694515
 Vib (Bot)   24  0.189247D+01          0.277030          0.637884
 Vib (Bot)   25  0.185291D+01          0.267855          0.616759
 Vib (Bot)   26  0.184860D+01          0.266844          0.614430
 Vib (Bot)   27  0.179651D+01          0.254429          0.585844
 Vib (Bot)   28  0.174951D+01          0.242917          0.559337
 Vib (Bot)   29  0.168930D+01          0.227707          0.524315
 Vib (Bot)   30  0.136467D+01          0.135028          0.310913
 Vib (Bot)   31  0.134331D+01          0.128177          0.295139
 Vib (Bot)   32  0.133103D+01          0.124188          0.285953
 Vib (Bot)   33  0.132447D+01          0.122041          0.281010
 Vib (Bot)   34  0.130245D+01          0.114760          0.264245
 Vib (Bot)   35  0.127199D+01          0.104484          0.240584
 Vib (Bot)   36  0.115609D+01          0.062992          0.145044
 Vib (Bot)   37  0.101036D+01          0.004477          0.010309
 Vib (Bot)   38  0.100220D+01          0.000954          0.002196
 Vib (Bot)   39  0.927701D+00         -0.032592         -0.075045
 Vib (Bot)   40  0.903378D+00         -0.044130         -0.101614
 Vib (Bot)   41  0.859450D+00         -0.065779         -0.151462
 Vib (Bot)   42  0.837129D+00         -0.077208         -0.177777
 Vib (Bot)   43  0.806373D+00         -0.093464         -0.215209
 Vib (Bot)   44  0.784899D+00         -0.105186         -0.242201
 Vib (Bot)   45  0.757392D+00         -0.120679         -0.277874
 Vib (Bot)   46  0.712914D+00         -0.146963         -0.338394
 Vib (Bot)   47  0.682937D+00         -0.165619         -0.381352
 Vib (Bot)   48  0.647337D+00         -0.188870         -0.434888
 Vib (Bot)   49  0.646817D+00         -0.189218         -0.435692
 Vib (Bot)   50  0.646683D+00         -0.189309         -0.435899
 Vib (Bot)   51  0.643599D+00         -0.191385         -0.440680
 Vib (Bot)   52  0.620127D+00         -0.207520         -0.477831
 Vib (Bot)   53  0.573384D+00         -0.241554         -0.556199
 Vib (Bot)   54  0.560244D+00         -0.251623         -0.579383
 Vib (Bot)   55  0.535032D+00         -0.271621         -0.625429
 Vib (Bot)   56  0.498666D+00         -0.302190         -0.695819
 Vib (Bot)   57  0.492560D+00         -0.307541         -0.708139
 Vib (Bot)   58  0.465878D+00         -0.331728         -0.763832
 Vib (Bot)   59  0.463438D+00         -0.334009         -0.769083
 Vib (Bot)   60  0.432207D+00         -0.364309         -0.838852
 Vib (Bot)   61  0.421914D+00         -0.374776         -0.862954
 Vib (Bot)   62  0.418425D+00         -0.378383         -0.871258
 Vib (Bot)   63  0.412356D+00         -0.384727         -0.885868
 Vib (Bot)   64  0.409943D+00         -0.387276         -0.891737
 Vib (Bot)   65  0.409185D+00         -0.388080         -0.893587
 Vib (Bot)   66  0.408606D+00         -0.388695         -0.895004
 Vib (Bot)   67  0.401091D+00         -0.396757         -0.913568
 Vib (Bot)   68  0.399378D+00         -0.398615         -0.917846
 Vib (Bot)   69  0.397428D+00         -0.400741         -0.922741
 Vib (Bot)   70  0.396399D+00         -0.401867         -0.925334
 Vib (Bot)   71  0.395811D+00         -0.402512         -0.926818
 Vib (Bot)   72  0.394364D+00         -0.404103         -0.930480
 Vib (Bot)   73  0.390124D+00         -0.408797         -0.941291
 Vib (Bot)   74  0.386306D+00         -0.413069         -0.951126
 Vib (Bot)   75  0.371103D+00         -0.430505         -0.991275
 Vib (Bot)   76  0.370548D+00         -0.431155         -0.992771
 Vib (Bot)   77  0.370087D+00         -0.431696         -0.994016
 Vib (Bot)   78  0.369698D+00         -0.432153         -0.995070
 Vib (Bot)   79  0.363508D+00         -0.439485         -1.011953
 Vib (Bot)   80  0.348694D+00         -0.457556         -1.053561
 Vib (Bot)   81  0.340528D+00         -0.467848         -1.077259
 Vib (Bot)   82  0.334705D+00         -0.475338         -1.094506
 Vib (Bot)   83  0.327050D+00         -0.485386         -1.117643
 Vib (Bot)   84  0.306424D+00         -0.513677         -1.182786
 Vib (Bot)   85  0.301366D+00         -0.520905         -1.199428
 Vib (Bot)   86  0.299793D+00         -0.523178         -1.204662
 Vib (Bot)   87  0.298120D+00         -0.525609         -1.210260
 Vib (Bot)   88  0.291156D+00         -0.535875         -1.233897
 Vib (Bot)   89  0.285660D+00         -0.544151         -1.252953
 Vib (Bot)   90  0.284474D+00         -0.545958         -1.257115
 Vib (Bot)   91  0.264578D+00         -0.577446         -1.329618
 Vib (Bot)   92  0.264567D+00         -0.577465         -1.329661
 Vib (Bot)   93  0.264415D+00         -0.577713         -1.330234
 Vib (Bot)   94  0.260566D+00         -0.584082         -1.344898
 Vib (Bot)   95  0.260522D+00         -0.584156         -1.345068
 Vib (Bot)   96  0.260464D+00         -0.584253         -1.345291
 Vib (Bot)   97  0.244163D+00         -0.612321         -1.409921
 Vib (Bot)   98  0.241047D+00         -0.617898         -1.422762
 Vib (Bot)   99  0.236251D+00         -0.626626         -1.442861
 Vib (V=0)                            29.845336         68.721425
 Vib (V=0)    1  0.466940D+02          1.669261          3.843616
 Vib (V=0)    2  0.264153D+02          1.421856          3.273944
 Vib (V=0)    3  0.217057D+02          1.336574          3.077575
 Vib (V=0)    4  0.204444D+02          1.310574          3.017707
 Vib (V=0)    5  0.198865D+02          1.298558          2.990041
 Vib (V=0)    6  0.178345D+02          1.251261          2.881136
 Vib (V=0)    7  0.135468D+02          1.131836          2.606149
 Vib (V=0)    8  0.116110D+02          1.064871          2.451957
 Vib (V=0)    9  0.956136D+01          0.980520          2.257730
 Vib (V=0)   10  0.802284D+01          0.904328          2.082292
 Vib (V=0)   11  0.624066D+01          0.795230          1.831085
 Vib (V=0)   12  0.515055D+01          0.711854          1.639104
 Vib (V=0)   13  0.470225D+01          0.672306          1.548041
 Vib (V=0)   14  0.464406D+01          0.666898          1.535588
 Vib (V=0)   15  0.454073D+01          0.657126          1.513089
 Vib (V=0)   16  0.373482D+01          0.572269          1.317699
 Vib (V=0)   17  0.364307D+01          0.561467          1.292826
 Vib (V=0)   18  0.342633D+01          0.534829          1.231489
 Vib (V=0)   19  0.320286D+01          0.505538          1.164043
 Vib (V=0)   20  0.296139D+01          0.471495          1.085658
 Vib (V=0)   21  0.287718D+01          0.458967          1.056810
 Vib (V=0)   22  0.270661D+01          0.432426          0.995698
 Vib (V=0)   23  0.256421D+01          0.408953          0.941650
 Vib (V=0)   24  0.245741D+01          0.390478          0.899108
 Vib (V=0)   25  0.241919D+01          0.383670          0.883432
 Vib (V=0)   26  0.241503D+01          0.382922          0.881711
 Vib (V=0)   27  0.236479D+01          0.373792          0.860688
 Vib (V=0)   28  0.231956D+01          0.365405          0.841376
 Vib (V=0)   29  0.226174D+01          0.354443          0.816136
 Vib (V=0)   30  0.195338D+01          0.290788          0.669563
 Vib (V=0)   31  0.193335D+01          0.286310          0.659254
 Vib (V=0)   32  0.192184D+01          0.283718          0.653285
 Vib (V=0)   33  0.191570D+01          0.282328          0.650084
 Vib (V=0)   34  0.189512D+01          0.277637          0.639284
 Vib (V=0)   35  0.186673D+01          0.271082          0.624190
 Vib (V=0)   36  0.175958D+01          0.245409          0.565076
 Vib (V=0)   37  0.162731D+01          0.211471          0.486929
 Vib (V=0)   38  0.162000D+01          0.209515          0.482427
 Vib (V=0)   39  0.155386D+01          0.191413          0.440745
 Vib (V=0)   40  0.153252D+01          0.185405          0.426912
 Vib (V=0)   41  0.149431D+01          0.174441          0.401665
 Vib (V=0)   42  0.147508D+01          0.168816          0.388714
 Vib (V=0)   43  0.144881D+01          0.161011          0.370741
 Vib (V=0)   44  0.143063D+01          0.155526          0.358113
 Vib (V=0)   45  0.140755D+01          0.148463          0.341849
 Vib (V=0)   46  0.137077D+01          0.136966          0.315375
 Vib (V=0)   47  0.134641D+01          0.129176          0.297439
 Vib (V=0)   48  0.131795D+01          0.119900          0.276079
 Vib (V=0)   49  0.131754D+01          0.119764          0.275767
 Vib (V=0)   50  0.131743D+01          0.119729          0.275686
 Vib (V=0)   51  0.131500D+01          0.118925          0.273834
 Vib (V=0)   52  0.129659D+01          0.112803          0.259738
 Vib (V=0)   53  0.126077D+01          0.100635          0.231722
 Vib (V=0)   54  0.125091D+01          0.097228          0.223875
 Vib (V=0)   55  0.123230D+01          0.090715          0.208880
 Vib (V=0)   56  0.120616D+01          0.081406          0.187445
 Vib (V=0)   57  0.120187D+01          0.079856          0.183875
 Vib (V=0)   58  0.118340D+01          0.073133          0.168396
 Vib (V=0)   59  0.118174D+01          0.072523          0.166991
 Vib (V=0)   60  0.116091D+01          0.064799          0.149204
 Vib (V=0)   61  0.115423D+01          0.062291          0.143430
 Vib (V=0)   62  0.115198D+01          0.061445          0.141483
 Vib (V=0)   63  0.114810D+01          0.059981          0.138111
 Vib (V=0)   64  0.114657D+01          0.059401          0.136775
 Vib (V=0)   65  0.114609D+01          0.059219          0.136356
 Vib (V=0)   66  0.114572D+01          0.059080          0.136036
 Vib (V=0)   67  0.114099D+01          0.057283          0.131900
 Vib (V=0)   68  0.113992D+01          0.056876          0.130962
 Vib (V=0)   69  0.113871D+01          0.056413          0.129895
 Vib (V=0)   70  0.113807D+01          0.056169          0.129333
 Vib (V=0)   71  0.113770D+01          0.056029          0.129012
 Vib (V=0)   72  0.113681D+01          0.055687          0.128223
 Vib (V=0)   73  0.113419D+01          0.054686          0.125919
 Vib (V=0)   74  0.113185D+01          0.053788          0.123852
 Vib (V=0)   75  0.112267D+01          0.050252          0.115709
 Vib (V=0)   76  0.112234D+01          0.050124          0.115415
 Vib (V=0)   77  0.112206D+01          0.050018          0.115171
 Vib (V=0)   78  0.112183D+01          0.049928          0.114964
 Vib (V=0)   79  0.111817D+01          0.048509          0.111696
 Vib (V=0)   80  0.110958D+01          0.045159          0.103981
 Vib (V=0)   81  0.110495D+01          0.043341          0.099796
 Vib (V=0)   82  0.110169D+01          0.042058          0.096843
 Vib (V=0)   83  0.109746D+01          0.040390          0.093001
 Vib (V=0)   84  0.108643D+01          0.036000          0.082894
 Vib (V=0)   85  0.108380D+01          0.034949          0.080473
 Vib (V=0)   86  0.108299D+01          0.034624          0.079725
 Vib (V=0)   87  0.108213D+01          0.034279          0.078931
 Vib (V=0)   88  0.107859D+01          0.032858          0.075659
 Vib (V=0)   89  0.107585D+01          0.031751          0.073110
 Vib (V=0)   90  0.107526D+01          0.031514          0.072563
 Vib (V=0)   91  0.106569D+01          0.027630          0.063620
 Vib (V=0)   92  0.106568D+01          0.027627          0.063615
 Vib (V=0)   93  0.106561D+01          0.027599          0.063548
 Vib (V=0)   94  0.106382D+01          0.026869          0.061868
 Vib (V=0)   95  0.106380D+01          0.026860          0.061848
 Vib (V=0)   96  0.106377D+01          0.026849          0.061823
 Vib (V=0)   97  0.105643D+01          0.023841          0.054896
 Vib (V=0)   98  0.105507D+01          0.023282          0.053608
 Vib (V=0)   99  0.105300D+01          0.022430          0.051648
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.131702D+10          9.119593         20.998639
 Rotational      0.876028D+09          8.942518         20.590909
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000000986    0.000002090   -0.000000316
      2        6           0.000000086    0.000000037    0.000002922
      3        6          -0.000002309   -0.000005577    0.000000544
      4        6           0.000003263    0.000001937   -0.000001152
      5        6           0.000000982   -0.000001121    0.000001445
      6        6          -0.000000869    0.000000218   -0.000003172
      7        6          -0.000002872    0.000005275   -0.000001462
      8        6           0.000004092   -0.000000347    0.000001919
      9        6          -0.000006013   -0.000005386    0.000000118
     10        6          -0.000001938    0.000002038   -0.000000629
     11        6           0.000000421    0.000000232   -0.000002442
     12        6          -0.000001019   -0.000001898    0.000000266
     13        6           0.000000131   -0.000000439    0.000002672
     14        6          -0.000000173    0.000000187    0.000000371
     15        7           0.000010211   -0.000005495    0.000003691
     16        6          -0.000000680   -0.000001024    0.000000890
     17        6          -0.000005829    0.000005866   -0.000001551
     18        7           0.000005637   -0.000001699   -0.000000967
     19        6          -0.000001481   -0.000000895   -0.000000389
     20        6           0.000001037    0.000003293    0.000000818
     21        6          -0.000000287   -0.000003543   -0.000000013
     22        6           0.000000109   -0.000000077    0.000000134
     23        6           0.000001939   -0.000000819    0.000000369
     24        6           0.000001262    0.000000425   -0.000000409
     25        6           0.000001498    0.000000749    0.000000013
     26        6          -0.000000123   -0.000000070   -0.000001981
     27        6           0.000000572    0.000000122   -0.000000103
     28        6          -0.000001983   -0.000000882    0.000000530
     29        6           0.000000165   -0.000000237    0.000000156
     30        6           0.000000017    0.000000370    0.000002699
     31        6          -0.000000829   -0.000000069    0.000001548
     32        6           0.000001413    0.000000098   -0.000000302
     33        6          -0.000004690    0.000001860   -0.000001444
     34        6           0.000000005   -0.000000512    0.000000573
     35        6           0.000000556    0.000000008   -0.000002095
     36        6          -0.000000624   -0.000000514    0.000000927
     37        6          -0.000000029    0.000000231   -0.000000510
     38        6           0.000002171    0.000002037    0.000001257
     39        6          -0.000000204   -0.000000401    0.000000525
     40        6          -0.000000898    0.000000628   -0.000000036
     41        7          -0.000002945    0.000001966    0.000000831
     42        7          -0.000005709   -0.000003597   -0.000000994
     43        7           0.000005301    0.000002058   -0.000003206
     44        6           0.000003664    0.000007991    0.000001244
     45        6          -0.000003068   -0.000000274    0.000000763
     46        6          -0.000001419   -0.000002741   -0.000000524
     47        6           0.000008908   -0.000000489   -0.000000346
     48        6           0.000007462    0.000000162    0.000000290
     49        6          -0.000001824    0.000001905   -0.000000054
     50        6          -0.000002629    0.000000387   -0.000000713
     51        6           0.000003808   -0.000006558    0.000000293
     52        6          -0.000003260   -0.000007326   -0.000000847
     53        6           0.000003452   -0.000000232   -0.000002223
     54        6           0.000001381    0.000003600    0.000002641
     55        6          -0.000008841    0.000000790    0.000002711
     56        6          -0.000000582    0.000001101   -0.000000662
     57        6          -0.000001321   -0.000001482    0.000001224
     58        6           0.000001700    0.000001100   -0.000000203
     59        6          -0.000001345    0.000000490    0.000000936
     60        6          -0.000000005   -0.000001621   -0.000001025
     61        6           0.000001774    0.000000805    0.000000481
     62        6          -0.000002038   -0.000000468   -0.000001127
     63        6           0.000000955   -0.000001231    0.000000831
     64        6           0.000000734    0.000000915   -0.000000896
     65        6          -0.000002186    0.000000329    0.000000858
     66        6           0.000001648   -0.000000794   -0.000000265
     67        6          -0.000000420    0.000001434    0.000000845
     68        6          -0.000001246   -0.000000599   -0.000000927
     69        6           0.000001486   -0.000001053    0.000000597
     70        6          -0.000001278    0.000001317   -0.000001383
     71        6          -0.000000641   -0.000001158    0.000000780
     72        6           0.000000755   -0.000001547   -0.000000264
     73        6           0.000001074    0.000001781   -0.000001163
     74        6          -0.000000928   -0.000001196    0.000000317
     75        6           0.000001085   -0.000000740   -0.000001691
     76        6          -0.000000074    0.000001068    0.000000894
     77        6          -0.000001730   -0.000000390   -0.000000376
     78        6           0.000001636    0.000000419    0.000001001
     79        6          -0.000001057    0.000001455    0.000000117
     80        1          -0.000002921    0.000006298   -0.000002133
     81        1          -0.000000704    0.000000254    0.000000317
     82        1          -0.000000075    0.000000115   -0.000000436
     83        1          -0.000000637    0.000000284    0.000001044
     84        1          -0.000000753   -0.000000505   -0.000001123
     85        1          -0.000000629   -0.000000124   -0.000000501
     86        1           0.000000447   -0.000000051   -0.000000184
     87        1          -0.000000305   -0.000000082    0.000000448
     88        1          -0.000000132   -0.000000677   -0.000001510
     89        1           0.000000145    0.000000176   -0.000000217
     90        1           0.000000422    0.000000264    0.000000188
     91        1          -0.000000067   -0.000000260    0.000000099
     92        1          -0.000000329    0.000000113   -0.000000040
     93        1           0.000000552    0.000000501   -0.000000309
     94        1           0.000000250   -0.000000046    0.000000139
     95        1           0.000000030    0.000000249    0.000000008
     96        1          -0.000000185   -0.000000389   -0.000000036
     97        1           0.000000211   -0.000000464    0.000000187
     98        1           0.000000307    0.000000339   -0.000000536
     99        1           0.000000281   -0.000000171    0.000000234
    100        1          -0.000000293    0.000000476   -0.000000362
    101        1           0.000000128    0.000000178    0.000000304
    102        1           0.000000208   -0.000000205    0.000000567
    103        1           0.000000318   -0.000000002   -0.000000553
    104        1          -0.000000055   -0.000000192    0.000000278
    105        1           0.000000216    0.000000163   -0.000000014
    106        1           0.000000377    0.000000103    0.000000197
    107        1          -0.000000041   -0.000000002   -0.000000196
    108        1           0.000000318    0.000000238    0.000000685
    109        1           0.000000065    0.000000242   -0.000000356
    110        1          -0.000000055   -0.000000354    0.000000456
    111        1           0.000000248   -0.000000362   -0.000000647
    112        1          -0.000000189   -0.000000091    0.000000221
    113        1           0.000000286    0.000000001   -0.000000201
    114        1           0.000000078   -0.000000295    0.000000203
    115        1          -0.000000021    0.000000012   -0.000000320
    116        1           0.000000228   -0.000000117    0.000000619
    117        1           0.000000267    0.000000027   -0.000000491
    118        1          -0.000000329    0.000000193   -0.000000329
    119        1          -0.000000365   -0.000000030    0.000000450
    120        1           0.000000072    0.000000294   -0.000000191
    121        1          -0.000000273   -0.000000114    0.000000140
    122        1          -0.000000245   -0.000000083   -0.000000002
    123        1           0.000000209    0.000000050    0.000000125
    124        1          -0.000000265   -0.000000143   -0.000000599
    125        1          -0.000000027   -0.000000144    0.000000189
    126       17          -0.000000772    0.000000055    0.000000009
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000010211 RMS     0.000001891
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Internal  Forces:  Max     0.000005818 RMS     0.000000866
 Search for a local minimum.
 Step number   1 out of a maximum of    2
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Second derivative matrix not updated -- analytic derivatives used.
 ITU=  0
     Eigenvalues ---    0.00177   0.00397   0.00403   0.00404   0.00439
     Eigenvalues ---    0.00717   0.00737   0.00741   0.00753   0.00795
     Eigenvalues ---    0.00825   0.00844   0.00925   0.01162   0.01168
     Eigenvalues ---    0.01175   0.01387   0.01388   0.01391   0.01466
     Eigenvalues ---    0.01511   0.01560   0.01588   0.01611   0.01625
     Eigenvalues ---    0.01628   0.01629   0.01645   0.01659   0.01661
     Eigenvalues ---    0.01662   0.01663   0.01687   0.01703   0.01706
     Eigenvalues ---    0.01709   0.01712   0.01734   0.01769   0.01784
     Eigenvalues ---    0.01786   0.01788   0.01797   0.01798   0.01801
     Eigenvalues ---    0.01874   0.01877   0.01879   0.01888   0.01940
     Eigenvalues ---    0.01940   0.01941   0.01951   0.01965   0.01984
     Eigenvalues ---    0.01995   0.02001   0.02016   0.02021   0.02026
     Eigenvalues ---    0.02082   0.02083   0.02084   0.02097   0.02161
     Eigenvalues ---    0.02181   0.02216   0.02260   0.02264   0.02268
     Eigenvalues ---    0.02278   0.02309   0.02314   0.02340   0.02345
     Eigenvalues ---    0.02347   0.02349   0.02364   0.02384   0.02388
     Eigenvalues ---    0.02391   0.02394   0.02412   0.02424   0.02434
     Eigenvalues ---    0.02438   0.02444   0.02452   0.02456   0.02471
     Eigenvalues ---    0.02524   0.02537   0.02538   0.02550   0.02654
     Eigenvalues ---    0.02669   0.02696   0.02703   0.02704   0.02723
     Eigenvalues ---    0.02726   0.02728   0.02768   0.02769   0.02770
     Eigenvalues ---    0.02770   0.02776   0.02777   0.02778   0.02800
     Eigenvalues ---    0.02852   0.02855   0.02856   0.02896   0.02896
     Eigenvalues ---    0.02896   0.02955   0.02956   0.02957   0.03008
     Eigenvalues ---    0.03098   0.03100   0.03104   0.04987   0.10013
     Eigenvalues ---    0.10944   0.10945   0.10946   0.11017   0.11019
     Eigenvalues ---    0.11022   0.11029   0.11151   0.11158   0.11160
     Eigenvalues ---    0.11261   0.11308   0.11344   0.11388   0.11405
     Eigenvalues ---    0.11416   0.11438   0.11459   0.11614   0.11635
     Eigenvalues ---    0.11672   0.11723   0.11905   0.12014   0.12068
     Eigenvalues ---    0.12135   0.12240   0.12242   0.12243   0.12279
     Eigenvalues ---    0.12334   0.12336   0.12338   0.12358   0.12359
     Eigenvalues ---    0.12359   0.12381   0.12382   0.12383   0.12456
     Eigenvalues ---    0.12595   0.12783   0.12883   0.12918   0.13163
     Eigenvalues ---    0.13665   0.16085   0.16089   0.16092   0.16991
     Eigenvalues ---    0.17453   0.17567   0.17629   0.17731   0.17746
     Eigenvalues ---    0.17754   0.18246   0.18491   0.18701   0.18751
     Eigenvalues ---    0.18768   0.18788   0.18825   0.18996   0.19125
     Eigenvalues ---    0.19166   0.19169   0.19170   0.19199   0.19251
     Eigenvalues ---    0.19268   0.19282   0.19318   0.19342   0.19345
     Eigenvalues ---    0.19348   0.19365   0.19432   0.19504   0.19515
     Eigenvalues ---    0.19668   0.19877   0.20081   0.20084   0.20110
     Eigenvalues ---    0.20124   0.20151   0.20231   0.20292   0.20380
     Eigenvalues ---    0.21019   0.21233   0.21471   0.21521   0.21527
     Eigenvalues ---    0.22531   0.22780   0.22992   0.22997   0.22997
     Eigenvalues ---    0.23076   0.23173   0.23267   0.23726   0.23999
     Eigenvalues ---    0.24019   0.25424   0.26974   0.27235   0.27296
     Eigenvalues ---    0.27460   0.28081   0.28290   0.28304   0.28306
     Eigenvalues ---    0.29186   0.29664   0.30189   0.30202   0.30276
     Eigenvalues ---    0.30620   0.30777   0.30943   0.31777   0.32016
     Eigenvalues ---    0.32449   0.32517   0.34364   0.34812   0.34922
     Eigenvalues ---    0.34931   0.34936   0.35040   0.35405   0.35410
     Eigenvalues ---    0.35412   0.35607   0.35621   0.35631   0.35737
     Eigenvalues ---    0.35907   0.35913   0.35919   0.35998   0.36019
     Eigenvalues ---    0.36088   0.36118   0.36119   0.36124   0.36135
     Eigenvalues ---    0.36138   0.36145   0.36150   0.36208   0.36223
     Eigenvalues ---    0.36232   0.36236   0.36273   0.36288   0.36297
     Eigenvalues ---    0.36307   0.36367   0.36379   0.36383   0.36383
     Eigenvalues ---    0.36389   0.36394   0.36499   0.36521   0.36525
     Eigenvalues ---    0.36541   0.36590   0.36625   0.36633   0.36644
     Eigenvalues ---    0.36649   0.36701   0.36872   0.36981   0.37068
     Eigenvalues ---    0.37554   0.37945   0.38052   0.38233   0.38282
     Eigenvalues ---    0.38358   0.38393   0.38675   0.39882   0.40844
     Eigenvalues ---    0.41385   0.41436   0.41438   0.41440   0.41939
     Eigenvalues ---    0.41976   0.42003   0.42202   0.42243   0.42277
     Eigenvalues ---    0.42514   0.42690   0.42754   0.43186   0.43724
     Eigenvalues ---    0.44053   0.44263   0.44271   0.44302   0.44328
     Eigenvalues ---    0.44343   0.44605   0.45606   0.45611   0.45630
     Eigenvalues ---    0.45956   0.45978   0.45999   0.46558   0.46808
     Eigenvalues ---    0.46958   0.46996   0.47007   0.47028   0.47150
     Eigenvalues ---    0.47212   0.47356   0.47358   0.47360   0.47725
     Eigenvalues ---    0.48214   0.49632   0.50106   0.50797   0.50802
     Eigenvalues ---    0.50806   0.50837   0.50909   0.51088   0.51092
     Eigenvalues ---    0.51094   0.51400   0.51422   0.51426   0.51990
     Eigenvalues ---    0.57034   0.66607
 Angle between quadratic step and forces=  66.37 degrees.
 Linear search not attempted -- first point.
 Iteration  1 RMS(Cart)=  0.00041841 RMS(Int)=  0.00000002
 Iteration  2 RMS(Cart)=  0.00000008 RMS(Int)=  0.00000000
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        2.63841   0.00000   0.00000  -0.00000  -0.00000   2.63841
    R2        2.66660  -0.00000   0.00000  -0.00000  -0.00000   2.66659
    R3        2.80167  -0.00000   0.00000  -0.00001  -0.00001   2.80166
    R4        2.65884   0.00000   0.00000   0.00000   0.00000   2.65884
    R5        2.04518   0.00000   0.00000   0.00000   0.00000   2.04519
    R6        2.67234   0.00000   0.00000   0.00001   0.00001   2.67235
    R7        2.78319  -0.00000   0.00000  -0.00002  -0.00002   2.78317
    R8        2.65969  -0.00000   0.00000  -0.00000  -0.00000   2.65968
    R9        2.75834  -0.00000   0.00000  -0.00001  -0.00001   2.75833
   R10        2.60942   0.00000   0.00000   0.00000   0.00000   2.60942
   R11        2.04705   0.00000   0.00000  -0.00000  -0.00000   2.04705
   R12        2.05057   0.00000   0.00000   0.00000   0.00000   2.05057
   R13        2.69565   0.00000   0.00000   0.00001   0.00001   2.69567
   R14        2.65186   0.00000   0.00000   0.00000   0.00000   2.65186
   R15        2.74376  -0.00000   0.00000  -0.00001  -0.00001   2.74375
   R16        2.66944   0.00000   0.00000   0.00000   0.00000   2.66944
   R17        2.72940   0.00000   0.00000   0.00001   0.00001   2.72941
   R18        2.54155   0.00000   0.00000   0.00001   0.00001   2.54156
   R19        2.50453   0.00000   0.00000   0.00001   0.00001   2.50454
   R20        2.64108   0.00000   0.00000  -0.00000  -0.00000   2.64108
   R21        2.04476   0.00000   0.00000   0.00000   0.00000   2.04476
   R22        2.66200  -0.00000   0.00000  -0.00000  -0.00000   2.66200
   R23        2.79849  -0.00000   0.00000  -0.00001  -0.00001   2.79848
   R24        2.60953   0.00000   0.00000   0.00000   0.00000   2.60953
   R25        2.04982   0.00000   0.00000   0.00000   0.00000   2.04982
   R26        2.05462   0.00000   0.00000   0.00000   0.00000   2.05462
   R27        2.57883  -0.00000   0.00000  -0.00001  -0.00001   2.57882
   R28        2.11457  -0.00000   0.00000  -0.00007  -0.00007   2.11450
   R29        5.52769  -0.00000   0.00000   0.00003   0.00003   5.52773
   R30        2.69568   0.00000   0.00000   0.00001   0.00001   2.69569
   R31        2.67478  -0.00000   0.00000  -0.00000  -0.00000   2.67478
   R32        2.55305  -0.00000   0.00000  -0.00001  -0.00001   2.55303
   R33        2.67554   0.00000   0.00000   0.00000   0.00000   2.67554
   R34        2.59706   0.00000   0.00000   0.00000   0.00000   2.59706
   R35        2.05225   0.00000   0.00000   0.00000   0.00000   2.05225
   R36        2.70426  -0.00000   0.00000  -0.00001  -0.00001   2.70426
   R37        2.05029  -0.00000   0.00000  -0.00000  -0.00000   2.05029
   R38        2.61594   0.00000   0.00000   0.00000   0.00000   2.61594
   R39        2.79930   0.00000   0.00000   0.00000   0.00000   2.79931
   R40        2.04864   0.00000   0.00000   0.00000   0.00000   2.04864
   R41        2.65574   0.00000   0.00000  -0.00000  -0.00000   2.65574
   R42        2.65582   0.00000   0.00000  -0.00000  -0.00000   2.65582
   R43        2.65653   0.00000   0.00000  -0.00000  -0.00000   2.65653
   R44        2.65639   0.00000   0.00000  -0.00000  -0.00000   2.65639
   R45        2.65601  -0.00000   0.00000  -0.00000  -0.00000   2.65601
   R46        2.65621   0.00000   0.00000   0.00000   0.00000   2.65621
   R47        2.62794  -0.00000   0.00000   0.00000   0.00000   2.62794
   R48        2.05098   0.00000   0.00000   0.00000   0.00000   2.05098
   R49        2.64852   0.00000   0.00000   0.00000   0.00000   2.64852
   R50        2.04951   0.00000   0.00000   0.00000   0.00000   2.04951
   R51        2.64865   0.00000   0.00000   0.00000   0.00000   2.64865
   R52        2.67547  -0.00000   0.00000   0.00000   0.00000   2.67547
   R53        2.62796   0.00000   0.00000   0.00000   0.00000   2.62796
   R54        2.04962   0.00000   0.00000   0.00000   0.00000   2.04962
   R55        2.05153   0.00000   0.00000   0.00000   0.00000   2.05153
   R56        2.62869  -0.00000   0.00000  -0.00000  -0.00000   2.62869
   R57        2.05141   0.00000   0.00000   0.00000   0.00000   2.05142
   R58        2.64797   0.00000   0.00000   0.00001   0.00001   2.64797
   R59        2.04970   0.00000   0.00000   0.00000   0.00000   2.04970
   R60        2.64808   0.00000   0.00000   0.00000   0.00000   2.64808
   R61        2.67654  -0.00000   0.00000  -0.00001  -0.00001   2.67653
   R62        2.62865   0.00000   0.00000   0.00000   0.00000   2.62865
   R63        2.04973   0.00000   0.00000   0.00000   0.00000   2.04973
   R64        2.05157   0.00000   0.00000   0.00000   0.00000   2.05157
   R65        2.62835   0.00000   0.00000   0.00000   0.00000   2.62835
   R66        2.05123  -0.00000   0.00000  -0.00000  -0.00000   2.05123
   R67        2.64825   0.00000   0.00000  -0.00000  -0.00000   2.64825
   R68        2.04942   0.00000   0.00000   0.00000   0.00000   2.04942
   R69        2.64927   0.00000   0.00000   0.00000   0.00000   2.64927
   R70        2.67445  -0.00000   0.00000  -0.00000  -0.00000   2.67445
   R71        2.62724  -0.00000   0.00000  -0.00000  -0.00000   2.62723
   R72        2.04950   0.00000   0.00000   0.00000   0.00000   2.04950
   R73        2.05131   0.00000   0.00000  -0.00000  -0.00000   2.05131
   R74        2.64964  -0.00000   0.00000  -0.00001  -0.00001   2.64963
   R75        2.64976  -0.00000   0.00000  -0.00001  -0.00001   2.64975
   R76        2.65089  -0.00001   0.00000  -0.00002  -0.00002   2.65087
   R77        2.64975  -0.00001   0.00000  -0.00002  -0.00002   2.64973
   R78        2.65067  -0.00001   0.00000  -0.00002  -0.00002   2.65065
   R79        2.65125  -0.00001   0.00000  -0.00002  -0.00002   2.65124
   R80        2.67864   0.00000   0.00000   0.00001   0.00001   2.67865
   R81        2.64085   0.00000   0.00000   0.00000   0.00000   2.64085
   R82        2.73674  -0.00000   0.00000  -0.00000  -0.00000   2.73674
   R83        2.64469   0.00000   0.00000   0.00000   0.00000   2.64469
   R84        2.67907   0.00000   0.00000   0.00001   0.00001   2.67908
   R85        2.64447   0.00000   0.00000   0.00000   0.00000   2.64448
   R86        2.64093   0.00000   0.00000   0.00000   0.00000   2.64093
   R87        2.67900   0.00000   0.00000   0.00001   0.00001   2.67900
   R88        2.64084   0.00000   0.00000   0.00000   0.00000   2.64084
   R89        2.73673  -0.00000   0.00000  -0.00000  -0.00000   2.73673
   R90        2.64464   0.00000   0.00000   0.00000   0.00000   2.64464
   R91        2.67898   0.00000   0.00000   0.00001   0.00001   2.67898
   R92        2.64466   0.00000   0.00000   0.00000   0.00000   2.64466
   R93        2.64084   0.00000   0.00000   0.00000   0.00000   2.64085
   R94        2.67875   0.00000   0.00000   0.00001   0.00001   2.67876
   R95        2.64083   0.00000   0.00000   0.00000   0.00000   2.64083
   R96        2.73684  -0.00000   0.00000  -0.00000  -0.00000   2.73684
   R97        2.64448   0.00000   0.00000   0.00000   0.00000   2.64448
   R98        2.67854   0.00000   0.00000   0.00001   0.00001   2.67855
   R99        2.64458   0.00000   0.00000   0.00000   0.00000   2.64458
   R100       2.64079   0.00000   0.00000   0.00000   0.00000   2.64079
   R101       2.62985  -0.00000   0.00000  -0.00000  -0.00000   2.62985
   R102       2.05260   0.00000   0.00000   0.00000   0.00000   2.05260
   R103       2.65468   0.00000   0.00000   0.00000   0.00000   2.65468
   R104       2.05138  -0.00000   0.00000  -0.00000  -0.00000   2.05138
   R105       2.63305  -0.00000   0.00000  -0.00000  -0.00000   2.63304
   R106       2.05227  -0.00000   0.00000  -0.00000  -0.00000   2.05227
   R107       2.04879   0.00000   0.00000   0.00000   0.00000   2.04879
   R108       2.63285  -0.00000   0.00000  -0.00000  -0.00000   2.63285
   R109       2.04868   0.00000   0.00000   0.00000   0.00000   2.04868
   R110       2.65489   0.00000   0.00000   0.00000   0.00000   2.65490
   R111       2.05206  -0.00000   0.00000  -0.00000  -0.00000   2.05206
   R112       2.62955  -0.00000   0.00000  -0.00000  -0.00000   2.62955
   R113       2.05135  -0.00000   0.00000  -0.00000  -0.00000   2.05135
   R114       2.05262  -0.00000   0.00000   0.00000   0.00000   2.05262
   R115       2.62969  -0.00000   0.00000  -0.00000  -0.00000   2.62968
   R116       2.05259  -0.00000   0.00000  -0.00000  -0.00000   2.05259
   R117       2.65489   0.00000   0.00000   0.00000   0.00000   2.65489
   R118       2.05135  -0.00000   0.00000  -0.00000  -0.00000   2.05135
   R119       2.63292  -0.00000   0.00000  -0.00000  -0.00000   2.63291
   R120       2.05219  -0.00000   0.00000  -0.00000  -0.00000   2.05219
   R121       2.04883   0.00000   0.00000   0.00000   0.00000   2.04883
   R122       2.63294  -0.00000   0.00000  -0.00000  -0.00000   2.63294
   R123       2.04885   0.00000   0.00000   0.00000   0.00000   2.04885
   R124       2.65487   0.00000   0.00000   0.00000   0.00000   2.65487
   R125       2.05221  -0.00000   0.00000  -0.00000  -0.00000   2.05221
   R126       2.62972  -0.00000   0.00000  -0.00000  -0.00000   2.62971
   R127       2.05134  -0.00000   0.00000  -0.00000  -0.00000   2.05134
   R128       2.05259  -0.00000   0.00000  -0.00000  -0.00000   2.05259
   R129       2.62964  -0.00000   0.00000  -0.00000  -0.00000   2.62964
   R130       2.05257  -0.00000   0.00000  -0.00000  -0.00000   2.05257
   R131       2.65471   0.00000   0.00000   0.00000   0.00000   2.65471
   R132       2.05132  -0.00000   0.00000  -0.00000  -0.00000   2.05132
   R133       2.63297   0.00000   0.00000  -0.00000  -0.00000   2.63297
   R134       2.05208  -0.00000   0.00000  -0.00000  -0.00000   2.05208
   R135       2.04868   0.00000   0.00000   0.00000   0.00000   2.04868
   R136       2.63307  -0.00000   0.00000  -0.00000  -0.00000   2.63306
   R137       2.04873   0.00000   0.00000   0.00000   0.00000   2.04873
   R138       2.65462   0.00000   0.00000   0.00000   0.00000   2.65463
   R139       2.05218  -0.00000   0.00000  -0.00000  -0.00000   2.05218
   R140       2.62978  -0.00000   0.00000  -0.00000  -0.00000   2.62978
   R141       2.05135  -0.00000   0.00000  -0.00000  -0.00000   2.05135
   R142       2.05257  -0.00000   0.00000   0.00000   0.00000   2.05257
   R143       3.43363   0.00000   0.00000   0.00011   0.00011   3.43374
    A1        2.06426   0.00000   0.00000   0.00001   0.00001   2.06427
    A2        2.10891  -0.00000   0.00000  -0.00001  -0.00001   2.10890
    A3        2.11002  -0.00000   0.00000  -0.00000  -0.00000   2.11001
    A4        2.13792   0.00000   0.00000  -0.00000  -0.00000   2.13791
    A5        2.05396  -0.00000   0.00000  -0.00001  -0.00001   2.05396
    A6        2.09087   0.00000   0.00000   0.00001   0.00001   2.09088
    A7        2.05880  -0.00000   0.00000  -0.00000  -0.00000   2.05879
    A8        2.13523   0.00000   0.00000   0.00000   0.00000   2.13523
    A9        2.08912   0.00000   0.00000   0.00000   0.00000   2.08912
   A10        2.09120   0.00000   0.00000   0.00000   0.00000   2.09120
   A11        2.10005  -0.00000   0.00000  -0.00001  -0.00001   2.10005
   A12        2.09194  -0.00000   0.00000   0.00000   0.00000   2.09194
   A13        2.11091  -0.00000   0.00000  -0.00000  -0.00000   2.11091
   A14        2.06329   0.00000   0.00000   0.00000   0.00000   2.06330
   A15        2.10892  -0.00000   0.00000   0.00000   0.00000   2.10892
   A16        2.10327  -0.00000   0.00000  -0.00000  -0.00000   2.10327
   A17        2.08985  -0.00000   0.00000  -0.00001  -0.00001   2.08984
   A18        2.08971   0.00000   0.00000   0.00001   0.00001   2.08972
   A19        2.10654   0.00000   0.00000   0.00000   0.00000   2.10654
   A20        2.11599   0.00000   0.00000   0.00000   0.00000   2.11599
   A21        2.06063  -0.00000   0.00000  -0.00001  -0.00001   2.06062
   A22        2.08065  -0.00000   0.00000  -0.00001  -0.00001   2.08065
   A23        2.08030   0.00000   0.00000   0.00001   0.00001   2.08030
   A24        2.12223  -0.00000   0.00000   0.00000   0.00000   2.12223
   A25        2.10283   0.00000   0.00000   0.00000   0.00000   2.10283
   A26        2.13595   0.00000   0.00000   0.00001   0.00001   2.13595
   A27        2.04441  -0.00000   0.00000  -0.00001  -0.00001   2.04439
   A28        2.08714  -0.00000   0.00000   0.00000   0.00000   2.08715
   A29        2.06449  -0.00000   0.00000  -0.00000  -0.00000   2.06449
   A30        2.13155   0.00000   0.00000   0.00000   0.00000   2.13155
   A31        2.14320  -0.00000   0.00000  -0.00000  -0.00000   2.14319
   A32        2.08514   0.00000   0.00000   0.00001   0.00001   2.08515
   A33        2.05437  -0.00000   0.00000  -0.00001  -0.00001   2.05437
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   D275       0.00617  -0.00000   0.00000  -0.00000  -0.00000   0.00617
   D276      -3.14090   0.00000   0.00000   0.00001   0.00001  -3.14089
   D277       3.11973   0.00000   0.00000   0.00001   0.00001   3.11974
   D278      -0.01379   0.00000   0.00000   0.00002   0.00002  -0.01377
   D279       0.01889  -0.00000   0.00000  -0.00001  -0.00001   0.01888
   D280      -3.11463  -0.00000   0.00000   0.00000   0.00000  -3.11463
   D281      -0.00247  -0.00000   0.00000  -0.00002  -0.00002  -0.00249
   D282       3.12725   0.00000   0.00000   0.00002   0.00002   3.12727
   D283      -3.10892  -0.00000   0.00000  -0.00005  -0.00005  -3.10897
   D284       0.02080  -0.00000   0.00000  -0.00001  -0.00001   0.02079
   D285      -3.11855  -0.00000   0.00000  -0.00002  -0.00002  -3.11857
   D286       0.01419  -0.00000   0.00000  -0.00002  -0.00002   0.01417
   D287      -0.02007   0.00000   0.00000   0.00002   0.00002  -0.02005
   D288       3.11267   0.00000   0.00000   0.00002   0.00002   3.11269
   D289       0.00294   0.00000   0.00000   0.00000   0.00000   0.00295
   D290      -3.12472  -0.00000   0.00000  -0.00005  -0.00005  -3.12476
   D291      -3.12442  -0.00000   0.00000  -0.00004  -0.00004  -3.12446
   D292       0.03111  -0.00000   0.00000  -0.00009  -0.00009   0.03102
   D293      -0.00635   0.00000   0.00000  -0.00000  -0.00000  -0.00635
   D294       3.14103  -0.00000   0.00000  -0.00001  -0.00001   3.14103
   D295       3.11959   0.00000   0.00000   0.00004   0.00004   3.11964
   D296      -0.01621   0.00000   0.00000   0.00004   0.00004  -0.01617
   D297      -0.00236   0.00000   0.00000   0.00001   0.00001  -0.00235
   D298      -3.10915  -0.00000   0.00000  -0.00005  -0.00005  -3.10920
   D299       3.12761   0.00000   0.00000   0.00005   0.00005   3.12766
   D300       0.02082  -0.00000   0.00000  -0.00001  -0.00001   0.02081
   D301       3.11991   0.00000   0.00000   0.00005   0.00005   3.11996
   D302      -0.01611   0.00000   0.00000   0.00004   0.00004  -0.01607
   D303      -0.00636  -0.00000   0.00000  -0.00001  -0.00001  -0.00636
   D304       3.14081  -0.00000   0.00000  -0.00001  -0.00001   3.14080
   D305      -3.11900  -0.00000   0.00000  -0.00005  -0.00005  -3.11905
   D306       0.01419  -0.00000   0.00000  -0.00006  -0.00006   0.01413
   D307      -0.02011   0.00000   0.00000   0.00002   0.00002  -0.02008
   D308       3.11308   0.00000   0.00000   0.00001   0.00001   3.11310
   D309       0.00766  -0.00000   0.00000  -0.00001  -0.00001   0.00766
   D310      -3.14029  -0.00000   0.00000  -0.00001  -0.00001  -3.14030
   D311      -3.12808  -0.00000   0.00000  -0.00002  -0.00002  -3.12809
   D312       0.00716  -0.00000   0.00000  -0.00002  -0.00002   0.00713
   D313      -0.00837   0.00000   0.00000   0.00000   0.00000  -0.00837
   D314       3.12909   0.00000   0.00000   0.00001   0.00001   3.12910
   D315       3.13957   0.00000   0.00000   0.00001   0.00001   3.13957
   D316      -0.00616   0.00000   0.00000   0.00002   0.00002  -0.00615
   D317      -0.00527   0.00000   0.00000   0.00001   0.00001  -0.00526
   D318       3.12761   0.00000   0.00000   0.00001   0.00001   3.12762
   D319       3.14044   0.00000   0.00000   0.00000   0.00000   3.14044
   D320      -0.00986  -0.00000   0.00000  -0.00000  -0.00000  -0.00986
   D321      -0.00551   0.00000   0.00000   0.00001   0.00001  -0.00550
   D322       3.13952   0.00000   0.00000   0.00000   0.00000   3.13952
   D323       3.12813   0.00000   0.00000   0.00000   0.00000   3.12813
   D324      -0.01003  -0.00000   0.00000  -0.00000  -0.00000  -0.01003
   D325      -0.00819   0.00000   0.00000   0.00000   0.00000  -0.00819
   D326       3.13923   0.00000   0.00000   0.00001   0.00001   3.13923
   D327       3.12995   0.00000   0.00000   0.00001   0.00001   3.12996
   D328      -0.00582   0.00000   0.00000   0.00002   0.00002  -0.00580
   D329       0.00769  -0.00000   0.00000  -0.00001  -0.00001   0.00768
   D330      -3.12846  -0.00000   0.00000  -0.00002  -0.00002  -3.12848
   D331      -3.13974  -0.00000   0.00000  -0.00001  -0.00001  -3.13976
   D332       0.00729  -0.00000   0.00000  -0.00002  -0.00002   0.00726
   D333       0.00731  -0.00000   0.00000  -0.00000  -0.00000   0.00731
   D334      -3.14009  -0.00000   0.00000  -0.00001  -0.00001  -3.14011
   D335      -3.12880  -0.00000   0.00000  -0.00001  -0.00001  -3.12881
   D336       0.00698  -0.00000   0.00000  -0.00002  -0.00002   0.00696
   D337      -0.00798   0.00000   0.00000  -0.00000  -0.00000  -0.00799
   D338       3.13001   0.00000   0.00000   0.00001   0.00001   3.13001
   D339       3.13940   0.00000   0.00000   0.00001   0.00001   3.13941
   D340      -0.00579   0.00000   0.00000   0.00002   0.00002  -0.00577
   D341      -0.00511   0.00000   0.00000   0.00001   0.00001  -0.00510
   D342       3.12845   0.00000   0.00000  -0.00000  -0.00000   3.12845
   D343       3.14007   0.00000   0.00000   0.00000   0.00000   3.14007
   D344      -0.00955  -0.00000   0.00000  -0.00001  -0.00001  -0.00956
   D345      -0.00500   0.00000   0.00000   0.00001   0.00001  -0.00499
   D346       3.14038   0.00000   0.00000  -0.00000  -0.00000   3.14038
   D347       3.12847  -0.00000   0.00000  -0.00000  -0.00000   3.12847
   D348      -0.00934  -0.00000   0.00000  -0.00001  -0.00001  -0.00935
   D349      -0.00801   0.00000   0.00000  -0.00000  -0.00000  -0.00801
   D350       3.13947   0.00000   0.00000   0.00001   0.00001   3.13948
   D351       3.12978   0.00000   0.00000   0.00000   0.00000   3.12979
   D352      -0.00593   0.00000   0.00000   0.00002   0.00002  -0.00591
   D353       0.00724  -0.00000   0.00000  -0.00000  -0.00000   0.00724
   D354      -3.12876  -0.00000   0.00000  -0.00001  -0.00001  -3.12876
   D355      -3.14026  -0.00000   0.00000  -0.00001  -0.00001  -3.14027
   D356       0.00694  -0.00000   0.00000  -0.00002  -0.00002   0.00692
   D357      -0.00786   0.00000   0.00000   0.00001   0.00001  -0.00785
   D358       3.13980   0.00000   0.00000   0.00001   0.00001   3.13981
   D359       3.12815   0.00000   0.00000   0.00002   0.00002   3.12817
   D360      -0.00737   0.00000   0.00000   0.00002   0.00002  -0.00736
   D361       0.00840  -0.00000   0.00000   0.00000   0.00000   0.00840
   D362      -3.12959  -0.00000   0.00000  -0.00001  -0.00001  -3.12960
   D363      -3.13924  -0.00000   0.00000  -0.00000  -0.00000  -3.13924
   D364       0.00595  -0.00000   0.00000  -0.00001  -0.00001   0.00594
   D365       0.00557  -0.00000   0.00000  -0.00002  -0.00002   0.00555
   D366      -3.12768  -0.00000   0.00000  -0.00001  -0.00001  -3.12768
   D367      -3.13961  -0.00000   0.00000  -0.00001  -0.00001  -3.13962
   D368       0.01033  -0.00000   0.00000   0.00000   0.00000   0.01033
   D369       0.00553  -0.00000   0.00000  -0.00001  -0.00001   0.00552
   D370      -3.13998  -0.00000   0.00000  -0.00000  -0.00000  -3.13998
   D371      -3.12726  -0.00000   0.00000  -0.00001  -0.00001  -3.12727
   D372       0.01042  -0.00000   0.00000  -0.00000  -0.00000   0.01041
   D373       0.00843  -0.00000   0.00000  -0.00000  -0.00000   0.00843
   D374      -3.13947  -0.00000   0.00000  -0.00001  -0.00001  -3.13948
   D375      -3.12923  -0.00000   0.00000  -0.00001  -0.00001  -3.12924
   D376       0.00605  -0.00000   0.00000  -0.00001  -0.00001   0.00603
   D377      -0.00787   0.00000   0.00000   0.00001   0.00001  -0.00786
   D378       3.12792   0.00000   0.00000   0.00002   0.00002   3.12794
   D379       3.14005   0.00000   0.00000   0.00001   0.00001   3.14007
   D380      -0.00734   0.00000   0.00000   0.00002   0.00002  -0.00732
         Item               Value     Threshold  Converged?
 Maximum Force            0.000006     0.000450     YES
 RMS     Force            0.000001     0.000300     YES
 Maximum Displacement     0.002764     0.001800     NO 
 RMS     Displacement     0.000418     0.001200     YES
 Predicted change in Energy=-5.663224D-09
                           ----------------------------
                           ! Non-Optimized Parameters !
                           ! (Angstroms and Degrees)  !
 --------------------------                            --------------------------
 ! Name  Definition              Value          Derivative Info.                !
 --------------------------------------------------------------------------------
 ! R1    R(1,2)                  1.3962         -DE/DX =    0.0                 !
 ! R2    R(1,6)                  1.4111         -DE/DX =    0.0                 !
 ! R3    R(1,23)                 1.4826         -DE/DX =    0.0                 !
 ! R4    R(2,3)                  1.407          -DE/DX =    0.0                 !
 ! R5    R(2,81)                 1.0823         -DE/DX =    0.0                 !
 ! R6    R(3,4)                  1.4141         -DE/DX =    0.0                 !
 ! R7    R(3,7)                  1.4728         -DE/DX =    0.0                 !
 ! R8    R(4,5)                  1.4074         -DE/DX =    0.0                 !
 ! R9    R(4,10)                 1.4596         -DE/DX =    0.0                 !
 ! R10   R(5,6)                  1.3808         -DE/DX =    0.0                 !
 ! R11   R(5,82)                 1.0833         -DE/DX =    0.0                 !
 ! R12   R(6,83)                 1.0851         -DE/DX =    0.0                 !
 ! R13   R(7,8)                  1.4265         -DE/DX =    0.0                 !
 ! R14   R(7,11)                 1.4033         -DE/DX =    0.0                 !
 ! R15   R(8,9)                  1.4519         -DE/DX =    0.0                 !
 ! R16   R(8,14)                 1.4126         -DE/DX =    0.0                 !
 ! R17   R(9,10)                 1.4443         -DE/DX =    0.0                 !
 ! R18   R(9,15)                 1.3449         -DE/DX =    0.0                 !
 ! R19   R(10,18)                1.3253         -DE/DX =    0.0                 !
 ! R20   R(11,12)                1.3976         -DE/DX =    0.0                 !
 ! R21   R(11,84)                1.082          -DE/DX =    0.0                 !
 ! R22   R(12,13)                1.4087         -DE/DX =    0.0                 !
 ! R23   R(12,24)                1.4809         -DE/DX =    0.0                 !
 ! R24   R(13,14)                1.3809         -DE/DX =    0.0                 !
 ! R25   R(13,85)                1.0847         -DE/DX =    0.0                 !
 ! R26   R(14,86)                1.0873         -DE/DX =    0.0                 !
 ! R27   R(15,16)                1.3647         -DE/DX =    0.0                 !
 ! R28   R(15,80)                1.1189         -DE/DX =    0.0                 !
 ! R29   R(15,126)               2.9251         -DE/DX =    0.0                 !
 ! R30   R(16,17)                1.4265         -DE/DX =    0.0                 !
 ! R31   R(16,19)                1.4154         -DE/DX =    0.0                 !
 ! R32   R(17,18)                1.351          -DE/DX =    0.0                 !
 ! R33   R(17,22)                1.4158         -DE/DX =    0.0                 !
 ! R34   R(19,20)                1.3743         -DE/DX =    0.0                 !
 ! R35   R(19,87)                1.086          -DE/DX =    0.0                 !
 ! R36   R(20,21)                1.431          -DE/DX =    0.0                 !
 ! R37   R(20,88)                1.085          -DE/DX =    0.0                 !
 ! R38   R(21,22)                1.3843         -DE/DX =    0.0                 !
 ! R39   R(21,25)                1.4813         -DE/DX =    0.0                 !
 ! R40   R(22,89)                1.0841         -DE/DX =    0.0                 !
 ! R41   R(23,31)                1.4054         -DE/DX =    0.0                 !
 ! R42   R(23,35)                1.4054         -DE/DX =    0.0                 !
 ! R43   R(24,26)                1.4058         -DE/DX =    0.0                 !
 ! R44   R(24,30)                1.4057         -DE/DX =    0.0                 !
 ! R45   R(25,36)                1.4055         -DE/DX =    0.0                 !
 ! R46   R(25,40)                1.4056         -DE/DX =    0.0                 !
 ! R47   R(26,27)                1.3906         -DE/DX =    0.0                 !
 ! R48   R(26,90)                1.0853         -DE/DX =    0.0                 !
 ! R49   R(27,28)                1.4015         -DE/DX =    0.0                 !
 ! R50   R(27,91)                1.0846         -DE/DX =    0.0                 !
 ! R51   R(28,29)                1.4016         -DE/DX =    0.0                 !
 ! R52   R(28,42)                1.4158         -DE/DX =    0.0                 !
 ! R53   R(29,30)                1.3907         -DE/DX =    0.0                 !
 ! R54   R(29,92)                1.0846         -DE/DX =    0.0                 !
 ! R55   R(30,93)                1.0856         -DE/DX =    0.0                 !
 ! R56   R(31,32)                1.391          -DE/DX =    0.0                 !
 ! R57   R(31,94)                1.0856         -DE/DX =    0.0                 !
 ! R58   R(32,33)                1.4012         -DE/DX =    0.0                 !
 ! R59   R(32,95)                1.0847         -DE/DX =    0.0                 !
 ! R60   R(33,34)                1.4013         -DE/DX =    0.0                 !
 ! R61   R(33,41)                1.4164         -DE/DX =    0.0                 !
 ! R62   R(34,35)                1.391          -DE/DX =    0.0                 !
 ! R63   R(34,96)                1.0847         -DE/DX =    0.0                 !
 ! R64   R(35,97)                1.0856         -DE/DX =    0.0                 !
 ! R65   R(36,37)                1.3909         -DE/DX =    0.0                 !
 ! R66   R(36,98)                1.0855         -DE/DX =    0.0                 !
 ! R67   R(37,38)                1.4014         -DE/DX =    0.0                 !
 ! R68   R(37,99)                1.0845         -DE/DX =    0.0                 !
 ! R69   R(38,39)                1.4019         -DE/DX =    0.0                 !
 ! R70   R(38,43)                1.4153         -DE/DX =    0.0                 !
 ! R71   R(39,40)                1.3903         -DE/DX =    0.0                 !
 ! R72   R(39,100)               1.0845         -DE/DX =    0.0                 !
 ! R73   R(40,101)               1.0855         -DE/DX =    0.0                 !
 ! R74   R(41,48)                1.4021         -DE/DX =    0.0                 !
 ! R75   R(41,51)                1.4022         -DE/DX =    0.0                 !
 ! R76   R(42,44)                1.4028         -DE/DX =    0.0                 !
 ! R77   R(42,47)                1.4022         -DE/DX =    0.0                 !
 ! R78   R(43,52)                1.4027         -DE/DX =    0.0                 !
 ! R79   R(43,55)                1.403          -DE/DX =    0.0                 !
 ! R80   R(44,45)                1.4175         -DE/DX =    0.0                 !
 ! R81   R(44,60)                1.3975         -DE/DX =    0.0                 !
 ! R82   R(45,46)                1.4482         -DE/DX =    0.0                 !
 ! R83   R(45,63)                1.3995         -DE/DX =    0.0                 !
 ! R84   R(46,47)                1.4177         -DE/DX =    0.0                 !
 ! R85   R(46,56)                1.3994         -DE/DX =    0.0                 !
 ! R86   R(47,59)                1.3975         -DE/DX =    0.0                 !
 ! R87   R(48,49)                1.4177         -DE/DX =    0.0                 !
 ! R88   R(48,68)                1.3975         -DE/DX =    0.0                 !
 ! R89   R(49,50)                1.4482         -DE/DX =    0.0                 !
 ! R90   R(49,71)                1.3995         -DE/DX =    0.0                 !
 ! R91   R(50,51)                1.4177         -DE/DX =    0.0                 !
 ! R92   R(50,64)                1.3995         -DE/DX =    0.0                 !
 ! R93   R(51,67)                1.3975         -DE/DX =    0.0                 !
 ! R94   R(52,53)                1.4175         -DE/DX =    0.0                 !
 ! R95   R(52,76)                1.3975         -DE/DX =    0.0                 !
 ! R96   R(53,54)                1.4483         -DE/DX =    0.0                 !
 ! R97   R(53,79)                1.3994         -DE/DX =    0.0                 !
 ! R98   R(54,55)                1.4174         -DE/DX =    0.0                 !
 ! R99   R(54,72)                1.3995         -DE/DX =    0.0                 !
 ! R100  R(55,75)                1.3974         -DE/DX =    0.0                 !
 ! R101  R(56,57)                1.3917         -DE/DX =    0.0                 !
 ! R102  R(56,102)               1.0862         -DE/DX =    0.0                 !
 ! R103  R(57,58)                1.4048         -DE/DX =    0.0                 !
 ! R104  R(57,103)               1.0855         -DE/DX =    0.0                 !
 ! R105  R(58,59)                1.3933         -DE/DX =    0.0                 !
 ! R106  R(58,104)               1.086          -DE/DX =    0.0                 !
 ! R107  R(59,105)               1.0842         -DE/DX =    0.0                 !
 ! R108  R(60,61)                1.3932         -DE/DX =    0.0                 !
 ! R109  R(60,106)               1.0841         -DE/DX =    0.0                 !
 ! R110  R(61,62)                1.4049         -DE/DX =    0.0                 !
 ! R111  R(61,107)               1.0859         -DE/DX =    0.0                 !
 ! R112  R(62,63)                1.3915         -DE/DX =    0.0                 !
 ! R113  R(62,108)               1.0855         -DE/DX =    0.0                 !
 ! R114  R(63,109)               1.0862         -DE/DX =    0.0                 !
 ! R115  R(64,65)                1.3916         -DE/DX =    0.0                 !
 ! R116  R(64,110)               1.0862         -DE/DX =    0.0                 !
 ! R117  R(65,66)                1.4049         -DE/DX =    0.0                 !
 ! R118  R(65,111)               1.0855         -DE/DX =    0.0                 !
 ! R119  R(66,67)                1.3933         -DE/DX =    0.0                 !
 ! R120  R(66,112)               1.086          -DE/DX =    0.0                 !
 ! R121  R(67,113)               1.0842         -DE/DX =    0.0                 !
 ! R122  R(68,69)                1.3933         -DE/DX =    0.0                 !
 ! R123  R(68,114)               1.0842         -DE/DX =    0.0                 !
 ! R124  R(69,70)                1.4049         -DE/DX =    0.0                 !
 ! R125  R(69,115)               1.086          -DE/DX =    0.0                 !
 ! R126  R(70,71)                1.3916         -DE/DX =    0.0                 !
 ! R127  R(70,116)               1.0855         -DE/DX =    0.0                 !
 ! R128  R(71,117)               1.0862         -DE/DX =    0.0                 !
 ! R129  R(72,73)                1.3915         -DE/DX =    0.0                 !
 ! R130  R(72,118)               1.0862         -DE/DX =    0.0                 !
 ! R131  R(73,74)                1.4048         -DE/DX =    0.0                 !
 ! R132  R(73,119)               1.0855         -DE/DX =    0.0                 !
 ! R133  R(74,75)                1.3933         -DE/DX =    0.0                 !
 ! R134  R(74,120)               1.0859         -DE/DX =    0.0                 !
 ! R135  R(75,121)               1.0841         -DE/DX =    0.0                 !
 ! R136  R(76,77)                1.3934         -DE/DX =    0.0                 !
 ! R137  R(76,122)               1.0841         -DE/DX =    0.0                 !
 ! R138  R(77,78)                1.4048         -DE/DX =    0.0                 !
 ! R139  R(77,123)               1.086          -DE/DX =    0.0                 !
 ! R140  R(78,79)                1.3916         -DE/DX =    0.0                 !
 ! R141  R(78,124)               1.0855         -DE/DX =    0.0                 !
 ! R142  R(79,125)               1.0862         -DE/DX =    0.0                 !
 ! R143  R(80,126)               1.8171         -DE/DX =    0.0                 !
 ! A1    A(2,1,6)              118.2738         -DE/DX =    0.0                 !
 ! A2    A(2,1,23)             120.8312         -DE/DX =    0.0                 !
 ! A3    A(6,1,23)             120.8949         -DE/DX =    0.0                 !
 ! A4    A(1,2,3)              122.4933         -DE/DX =    0.0                 !
 ! A5    A(1,2,81)             117.683          -DE/DX =    0.0                 !
 ! A6    A(3,2,81)             119.7983         -DE/DX =    0.0                 !
 ! A7    A(2,3,4)              117.9602         -DE/DX =    0.0                 !
 ! A8    A(2,3,7)              122.3396         -DE/DX =    0.0                 !
 ! A9    A(4,3,7)              119.6977         -DE/DX =    0.0                 !
 ! A10   A(3,4,5)              119.817          -DE/DX =    0.0                 !
 ! A11   A(3,4,10)             120.3237         -DE/DX =    0.0                 !
 ! A12   A(5,4,10)             119.8592         -DE/DX =    0.0                 !
 ! A13   A(4,5,6)              120.9463         -DE/DX =    0.0                 !
 ! A14   A(4,5,82)             118.2182         -DE/DX =    0.0                 !
 ! A15   A(6,5,82)             120.8323         -DE/DX =    0.0                 !
 ! A16   A(1,6,5)              120.5082         -DE/DX =    0.0                 !
 ! A17   A(1,6,83)             119.7391         -DE/DX =    0.0                 !
 ! A18   A(5,6,83)             119.7322         -DE/DX =    0.0                 !
 ! A19   A(3,7,8)              120.696          -DE/DX =    0.0                 !
 ! A20   A(3,7,11)             121.2373         -DE/DX =    0.0                 !
 ! A21   A(8,7,11)             118.065          -DE/DX =    0.0                 !
 ! A22   A(7,8,9)              119.2122         -DE/DX =    0.0                 !
 ! A23   A(7,8,14)             119.1927         -DE/DX =    0.0                 !
 ! A24   A(9,8,14)             121.5951         -DE/DX =    0.0                 !
 ! A25   A(8,9,10)             120.4835         -DE/DX =    0.0                 !
 ! A26   A(8,9,15)             122.3812         -DE/DX =    0.0                 !
 ! A27   A(10,9,15)            117.1352         -DE/DX =    0.0                 !
 ! A28   A(4,10,9)             119.5846         -DE/DX =    0.0                 !
 ! A29   A(4,10,18)            118.2865         -DE/DX =    0.0                 !
 ! A30   A(9,10,18)            122.1289         -DE/DX =    0.0                 !
 ! A31   A(7,11,12)            122.7959         -DE/DX =    0.0                 !
 ! A32   A(7,11,84)            119.4701         -DE/DX =    0.0                 !
 ! A33   A(12,11,84)           117.7065         -DE/DX =    0.0                 !
 ! A34   A(11,12,13)           118.0058         -DE/DX =    0.0                 !
 ! A35   A(11,12,24)           120.9062         -DE/DX =    0.0                 !
 ! A36   A(13,12,24)           121.0878         -DE/DX =    0.0                 !
 ! A37   A(12,13,14)           120.9577         -DE/DX =    0.0                 !
 ! A38   A(12,13,85)           120.1286         -DE/DX =    0.0                 !
 ! A39   A(14,13,85)           118.8933         -DE/DX =    0.0                 !
 ! A40   A(8,14,13)            120.9815         -DE/DX =    0.0                 !
 ! A41   A(8,14,86)            120.7073         -DE/DX =    0.0                 !
 ! A42   A(13,14,86)           118.3098         -DE/DX =    0.0                 !
 ! A43   A(9,15,16)            122.2722         -DE/DX =    0.0                 !
 ! A44   A(9,15,80)            124.1517         -DE/DX =    0.0                 !
 ! A45   A(9,15,126)           130.4288         -DE/DX =    0.0                 !
 ! A46   A(16,15,80)           113.5725         -DE/DX =    0.0                 !
 ! A47   A(16,15,126)          107.292          -DE/DX =    0.0                 !
 ! A48   A(15,16,17)           118.1383         -DE/DX =    0.0                 !
 ! A49   A(15,16,19)           121.7129         -DE/DX =    0.0                 !
 ! A50   A(17,16,19)           120.1487         -DE/DX =    0.0                 !
 ! A51   A(16,17,18)           120.8697         -DE/DX =    0.0                 !
 ! A52   A(16,17,22)           119.3079         -DE/DX =    0.0                 !
 ! A53   A(18,17,22)           119.8195         -DE/DX =    0.0                 !
 ! A54   A(10,18,17)           119.4518         -DE/DX =    0.0                 !
 ! A55   A(16,19,20)           118.6699         -DE/DX =    0.0                 !
 ! A56   A(16,19,87)           118.8124         -DE/DX =    0.0                 !
 ! A57   A(20,19,87)           122.5147         -DE/DX =    0.0                 !
 ! A58   A(19,20,21)           122.6196         -DE/DX =    0.0                 !
 ! A59   A(19,20,88)           118.6433         -DE/DX =    0.0                 !
 ! A60   A(21,20,88)           118.7173         -DE/DX =    0.0                 !
 ! A61   A(20,21,22)           118.3792         -DE/DX =    0.0                 !
 ! A62   A(20,21,25)           120.2998         -DE/DX =    0.0                 !
 ! A63   A(22,21,25)           121.3209         -DE/DX =    0.0                 !
 ! A64   A(17,22,21)           120.8743         -DE/DX =    0.0                 !
 ! A65   A(17,22,89)           117.288          -DE/DX =    0.0                 !
 ! A66   A(21,22,89)           121.8159         -DE/DX =    0.0                 !
 ! A67   A(1,23,31)            120.9758         -DE/DX =    0.0                 !
 ! A68   A(1,23,35)            121.2163         -DE/DX =    0.0                 !
 ! A69   A(31,23,35)           117.8079         -DE/DX =    0.0                 !
 ! A70   A(12,24,26)           120.8776         -DE/DX =    0.0                 !
 ! A71   A(12,24,30)           121.2842         -DE/DX =    0.0                 !
 ! A72   A(26,24,30)           117.8382         -DE/DX =    0.0                 !
 ! A73   A(21,25,36)           121.1187         -DE/DX =    0.0                 !
 ! A74   A(21,25,40)           121.0186         -DE/DX =    0.0                 !
 ! A75   A(36,25,40)           117.8624         -DE/DX =    0.0                 !
 ! A76   A(24,26,27)           121.2457         -DE/DX =    0.0                 !
 ! A77   A(24,26,90)           119.635          -DE/DX =    0.0                 !
 ! A78   A(27,26,90)           119.0686         -DE/DX =    0.0                 !
 ! A79   A(26,27,28)           120.2612         -DE/DX =    0.0                 !
 ! A80   A(26,27,91)           120.226          -DE/DX =    0.0                 !
 ! A81   A(28,27,91)           119.5002         -DE/DX =    0.0                 !
 ! A82   A(27,28,29)           119.1346         -DE/DX =    0.0                 !
 ! A83   A(27,28,42)           120.4587         -DE/DX =    0.0                 !
 ! A84   A(29,28,42)           120.4066         -DE/DX =    0.0                 !
 ! A85   A(28,29,30)           120.224          -DE/DX =    0.0                 !
 ! A86   A(28,29,92)           119.4673         -DE/DX =    0.0                 !
 ! A87   A(30,29,92)           120.2904         -DE/DX =    0.0                 !
 ! A88   A(24,30,29)           121.2838         -DE/DX =    0.0                 !
 ! A89   A(24,30,93)           119.6234         -DE/DX =    0.0                 !
 ! A90   A(29,30,93)           119.0272         -DE/DX =    0.0                 !
 ! A91   A(23,31,32)           121.2847         -DE/DX =    0.0                 !
 ! A92   A(23,31,94)           119.5996         -DE/DX =    0.0                 !
 ! A93   A(32,31,94)           119.0629         -DE/DX =    0.0                 !
 ! A94   A(31,32,33)           120.2426         -DE/DX =    0.0                 !
 ! A95   A(31,32,95)           120.2778         -DE/DX =    0.0                 !
 ! A96   A(33,32,95)           119.4658         -DE/DX =    0.0                 !
 ! A97   A(32,33,34)           119.1273         -DE/DX =    0.0                 !
 ! A98   A(32,33,41)           120.4426         -DE/DX =    0.0                 !
 ! A99   A(34,33,41)           120.4301         -DE/DX =    0.0                 !
 ! A100  A(33,34,35)           120.2343         -DE/DX =    0.0                 !
 ! A101  A(33,34,96)           119.4605         -DE/DX =    0.0                 !
 ! A102  A(35,34,96)           120.2883         -DE/DX =    0.0                 !
 ! A103  A(23,35,34)           121.2928         -DE/DX =    0.0                 !
 ! A104  A(23,35,97)           119.5744         -DE/DX =    0.0                 !
 ! A105  A(34,35,97)           119.0744         -DE/DX =    0.0                 !
 ! A106  A(25,36,37)           121.2334         -DE/DX =    0.0                 !
 ! A107  A(25,36,98)           119.7969         -DE/DX =    0.0                 !
 ! A108  A(37,36,98)           118.9131         -DE/DX =    0.0                 !
 ! A109  A(36,37,38)           120.2659         -DE/DX =    0.0                 !
 ! A110  A(36,37,99)           120.2155         -DE/DX =    0.0                 !
 ! A111  A(38,37,99)           119.5054         -DE/DX =    0.0                 !
 ! A112  A(37,38,39)           119.1129         -DE/DX =    0.0                 !
 ! A113  A(37,38,43)           120.465          -DE/DX =    0.0                 !
 ! A114  A(39,38,43)           120.4219         -DE/DX =    0.0                 !
 ! A115  A(38,39,40)           120.2456         -DE/DX =    0.0                 !
 ! A116  A(38,39,100)          119.4778         -DE/DX =    0.0                 !
 ! A117  A(40,39,100)          120.2582         -DE/DX =    0.0                 !
 ! A118  A(25,40,39)           121.268          -DE/DX =    0.0                 !
 ! A119  A(25,40,101)          119.572          -DE/DX =    0.0                 !
 ! A120  A(39,40,101)          119.1045         -DE/DX =    0.0                 !
 ! A121  A(33,41,48)           125.8251         -DE/DX =    0.0                 !
 ! A122  A(33,41,51)           125.8446         -DE/DX =    0.0                 !
 ! A123  A(48,41,51)           108.3303         -DE/DX =    0.0                 !
 ! A124  A(28,42,44)           125.8473         -DE/DX =    0.0                 !
 ! A125  A(28,42,47)           125.831          -DE/DX =    0.0                 !
 ! A126  A(44,42,47)           108.3217         -DE/DX =    0.0                 !
 ! A127  A(38,43,52)           125.8205         -DE/DX =    0.0                 !
 ! A128  A(38,43,55)           125.8591         -DE/DX =    0.0                 !
 ! A129  A(52,43,55)           108.3203         -DE/DX =    0.0                 !
 ! A130  A(42,44,45)           108.9025         -DE/DX =    0.0                 !
 ! A131  A(42,44,60)           129.52           -DE/DX =    0.0                 !
 ! A132  A(45,44,60)           121.5424         -DE/DX =    0.0                 !
 ! A133  A(44,45,46)           106.9344         -DE/DX =    0.0                 !
 ! A134  A(44,45,63)           119.5698         -DE/DX =    0.0                 !
 ! A135  A(46,45,63)           133.4914         -DE/DX =    0.0                 !
 ! A136  A(45,46,47)           106.9272         -DE/DX =    0.0                 !
 ! A137  A(45,46,56)           133.5029         -DE/DX =    0.0                 !
 ! A138  A(47,46,56)           119.5654         -DE/DX =    0.0                 !
 ! A139  A(42,47,46)           108.9139         -DE/DX =    0.0                 !
 ! A140  A(42,47,59)           129.5395         -DE/DX =    0.0                 !
 ! A141  A(46,47,59)           121.5111         -DE/DX =    0.0                 !
 ! A142  A(41,48,49)           108.9148         -DE/DX =    0.0                 !
 ! A143  A(41,48,68)           129.5182         -DE/DX =    0.0                 !
 ! A144  A(49,48,68)           121.5338         -DE/DX =    0.0                 !
 ! A145  A(48,49,50)           106.9202         -DE/DX =    0.0                 !
 ! A146  A(48,49,71)           119.5575         -DE/DX =    0.0                 !
 ! A147  A(50,49,71)           133.5181         -DE/DX =    0.0                 !
 ! A148  A(49,50,51)           106.923          -DE/DX =    0.0                 !
 ! A149  A(49,50,64)           133.5144         -DE/DX =    0.0                 !
 ! A150  A(51,50,64)           119.5585         -DE/DX =    0.0                 !
 ! A151  A(41,51,50)           108.9115         -DE/DX =    0.0                 !
 ! A152  A(41,51,67)           129.5161         -DE/DX =    0.0                 !
 ! A153  A(50,51,67)           121.5394         -DE/DX =    0.0                 !
 ! A154  A(43,52,53)           108.9005         -DE/DX =    0.0                 !
 ! A155  A(43,52,76)           129.5399         -DE/DX =    0.0                 !
 ! A156  A(53,52,76)           121.5227         -DE/DX =    0.0                 !
 ! A157  A(52,53,54)           106.9404         -DE/DX =    0.0                 !
 ! A158  A(52,53,79)           119.5691         -DE/DX =    0.0                 !
 ! A159  A(54,53,79)           133.4859         -DE/DX =    0.0                 !
 ! A160  A(53,54,55)           106.9442         -DE/DX =    0.0                 !
 ! A161  A(53,54,72)           133.4779         -DE/DX =    0.0                 !
 ! A162  A(55,54,72)           119.5734         -DE/DX =    0.0                 !
 ! A163  A(43,55,54)           108.8943         -DE/DX =    0.0                 !
 ! A164  A(43,55,75)           129.5381         -DE/DX =    0.0                 !
 ! A165  A(54,55,75)           121.5315         -DE/DX =    0.0                 !
 ! A166  A(46,56,57)           119.1706         -DE/DX =    0.0                 !
 ! A167  A(46,56,102)          120.3251         -DE/DX =    0.0                 !
 ! A168  A(57,56,102)          120.5034         -DE/DX =    0.0                 !
 ! A169  A(56,57,58)           120.541          -DE/DX =    0.0                 !
 ! A170  A(56,57,103)          119.8591         -DE/DX =    0.0                 !
 ! A171  A(58,57,103)          119.5988         -DE/DX =    0.0                 !
 ! A172  A(57,58,59)           121.443          -DE/DX =    0.0                 !
 ! A173  A(57,58,104)          119.4763         -DE/DX =    0.0                 !
 ! A174  A(59,58,104)          119.0803         -DE/DX =    0.0                 !
 ! A175  A(47,59,58)           117.7575         -DE/DX =    0.0                 !
 ! A176  A(47,59,105)          121.3623         -DE/DX =    0.0                 !
 ! A177  A(58,59,105)          120.8783         -DE/DX =    0.0                 !
 ! A178  A(44,60,61)           117.7203         -DE/DX =    0.0                 !
 ! A179  A(44,60,106)          121.4349         -DE/DX =    0.0                 !
 ! A180  A(61,60,106)          120.8432         -DE/DX =    0.0                 !
 ! A181  A(60,61,62)           121.458          -DE/DX =    0.0                 !
 ! A182  A(60,61,107)          119.0489         -DE/DX =    0.0                 !
 ! A183  A(62,61,107)          119.4928         -DE/DX =    0.0                 !
 ! A184  A(61,62,63)           120.5537         -DE/DX =    0.0                 !
 ! A185  A(61,62,108)          119.5855         -DE/DX =    0.0                 !
 ! A186  A(63,62,108)          119.8599         -DE/DX =    0.0                 !
 ! A187  A(45,63,62)           119.1443         -DE/DX =    0.0                 !
 ! A188  A(45,63,109)          120.3381         -DE/DX =    0.0                 !
 ! A189  A(62,63,109)          120.5169         -DE/DX =    0.0                 !
 ! A190  A(50,64,65)           119.1571         -DE/DX =    0.0                 !
 ! A191  A(50,64,110)          120.3348         -DE/DX =    0.0                 !
 ! A192  A(65,64,110)          120.5073         -DE/DX =    0.0                 !
 ! A193  A(64,65,66)           120.5512         -DE/DX =    0.0                 !
 ! A194  A(64,65,111)          119.8566         -DE/DX =    0.0                 !
 ! A195  A(66,65,111)          119.5915         -DE/DX =    0.0                 !
 ! A196  A(65,66,67)           121.4514         -DE/DX =    0.0                 !
 ! A197  A(65,66,112)          119.4769         -DE/DX =    0.0                 !
 ! A198  A(67,66,112)          119.0713         -DE/DX =    0.0                 !
 ! A199  A(51,67,66)           117.7318         -DE/DX =    0.0                 !
 ! A200  A(51,67,113)          121.3808         -DE/DX =    0.0                 !
 ! A201  A(66,67,113)          120.8857         -DE/DX =    0.0                 !
 ! A202  A(48,68,69)           117.7408         -DE/DX =    0.0                 !
 ! A203  A(48,68,114)          121.3642         -DE/DX =    0.0                 !
 ! A204  A(69,68,114)          120.8933         -DE/DX =    0.0                 !
 ! A205  A(68,69,70)           121.4456         -DE/DX =    0.0                 !
 ! A206  A(68,69,115)          119.0825         -DE/DX =    0.0                 !
 ! A207  A(70,69,115)          119.4715         -DE/DX =    0.0                 !
 ! A208  A(69,70,71)           120.5503         -DE/DX =    0.0                 !
 ! A209  A(69,70,116)          119.59           -DE/DX =    0.0                 !
 ! A210  A(71,70,116)          119.8588         -DE/DX =    0.0                 !
 ! A211  A(49,71,70)           119.1615         -DE/DX =    0.0                 !
 ! A212  A(49,71,117)          120.3337         -DE/DX =    0.0                 !
 ! A213  A(70,71,117)          120.504          -DE/DX =    0.0                 !
 ! A214  A(54,72,73)           119.1495         -DE/DX =    0.0                 !
 ! A215  A(54,72,118)          120.3351         -DE/DX =    0.0                 !
 ! A216  A(73,72,118)          120.5145         -DE/DX =    0.0                 !
 ! A217  A(72,73,74)           120.5494         -DE/DX =    0.0                 !
 ! A218  A(72,73,119)          119.8605         -DE/DX =    0.0                 !
 ! A219  A(74,73,119)          119.5892         -DE/DX =    0.0                 !
 ! A220  A(73,74,75)           121.4525         -DE/DX =    0.0                 !
 ! A221  A(73,74,120)          119.4913         -DE/DX =    0.0                 !
 ! A222  A(75,74,120)          119.0559         -DE/DX =    0.0                 !
 ! A223  A(55,75,74)           117.7317         -DE/DX =    0.0                 !
 ! A224  A(55,75,121)          121.4336         -DE/DX =    0.0                 !
 ! A225  A(74,75,121)          120.8329         -DE/DX =    0.0                 !
 ! A226  A(52,76,77)           117.7435         -DE/DX =    0.0                 !
 ! A227  A(52,76,122)          121.4038         -DE/DX =    0.0                 !
 ! A228  A(77,76,122)          120.8507         -DE/DX =    0.0                 !
 ! A229  A(76,77,78)           121.4473         -DE/DX =    0.0                 !
 ! A230  A(76,77,123)          119.0668         -DE/DX =    0.0                 !
 ! A231  A(78,77,123)          119.4855         -DE/DX =    0.0                 !
 ! A232  A(77,78,79)           120.545          -DE/DX =    0.0                 !
 ! A233  A(77,78,124)          119.5971         -DE/DX =    0.0                 !
 ! A234  A(79,78,124)          119.857          -DE/DX =    0.0                 !
 ! A235  A(53,79,78)           119.1605         -DE/DX =    0.0                 !
 ! A236  A(53,79,125)          120.3302         -DE/DX =    0.0                 !
 ! A237  A(78,79,125)          120.5084         -DE/DX =    0.0                 !
 ! D1    D(6,1,2,3)             -0.2992         -DE/DX =    0.0                 !
 ! D2    D(6,1,2,81)           177.8641         -DE/DX =    0.0                 !
 ! D3    D(23,1,2,3)           179.8188         -DE/DX =    0.0                 !
 ! D4    D(23,1,2,81)           -2.018          -DE/DX =    0.0                 !
 ! D5    D(2,1,6,5)              0.0212         -DE/DX =    0.0                 !
 ! D6    D(2,1,6,83)           178.3695         -DE/DX =    0.0                 !
 ! D7    D(23,1,6,5)           179.9031         -DE/DX =    0.0                 !
 ! D8    D(23,1,6,83)           -1.7486         -DE/DX =    0.0                 !
 ! D9    D(2,1,23,31)          143.0072         -DE/DX =    0.0                 !
 ! D10   D(2,1,23,35)          -37.0449         -DE/DX =    0.0                 !
 ! D11   D(6,1,23,31)          -36.8717         -DE/DX =    0.0                 !
 ! D12   D(6,1,23,35)          143.0762         -DE/DX =    0.0                 !
 ! D13   D(1,2,3,4)              0.3952         -DE/DX =    0.0                 !
 ! D14   D(1,2,3,7)            179.8113         -DE/DX =    0.0                 !
 ! D15   D(81,2,3,4)          -177.7305         -DE/DX =    0.0                 !
 ! D16   D(81,2,3,7)             1.6856         -DE/DX =    0.0                 !
 ! D17   D(2,3,4,5)             -0.2164         -DE/DX =    0.0                 !
 ! D18   D(2,3,4,10)           179.7826         -DE/DX =    0.0                 !
 ! D19   D(7,3,4,5)           -179.6484         -DE/DX =    0.0                 !
 ! D20   D(7,3,4,10)             0.3506         -DE/DX =    0.0                 !
 ! D21   D(2,3,7,8)           -179.7974         -DE/DX =    0.0                 !
 ! D22   D(2,3,7,11)             0.6943         -DE/DX =    0.0                 !
 ! D23   D(4,3,7,8)             -0.3912         -DE/DX =    0.0                 !
 ! D24   D(4,3,7,11)          -179.8995         -DE/DX =    0.0                 !
 ! D25   D(3,4,5,6)             -0.0466         -DE/DX =    0.0                 !
 ! D26   D(3,4,5,82)          -179.406          -DE/DX =    0.0                 !
 ! D27   D(10,4,5,6)           179.9543         -DE/DX =    0.0                 !
 ! D28   D(10,4,5,82)            0.5949         -DE/DX =    0.0                 !
 ! D29   D(3,4,10,9)             0.0417         -DE/DX =    0.0                 !
 ! D30   D(3,4,10,18)         -179.9325         -DE/DX =    0.0                 !
 ! D31   D(5,4,10,9)          -179.9593         -DE/DX =    0.0                 !
 ! D32   D(5,4,10,18)            0.0666         -DE/DX =    0.0                 !
 ! D33   D(4,5,6,1)              0.1476         -DE/DX =    0.0                 !
 ! D34   D(4,5,6,83)          -178.2009         -DE/DX =    0.0                 !
 ! D35   D(82,5,6,1)           179.4902         -DE/DX =    0.0                 !
 ! D36   D(82,5,6,83)            1.1417         -DE/DX =    0.0                 !
 ! D37   D(3,7,8,9)              0.0309         -DE/DX =    0.0                 !
 ! D38   D(3,7,8,14)          -179.9327         -DE/DX =    0.0                 !
 ! D39   D(11,7,8,9)           179.5543         -DE/DX =    0.0                 !
 ! D40   D(11,7,8,14)           -0.4092         -DE/DX =    0.0                 !
 ! D41   D(3,7,11,12)          179.9573         -DE/DX =    0.0                 !
 ! D42   D(3,7,11,84)            1.9116         -DE/DX =    0.0                 !
 ! D43   D(8,7,11,12)            0.4365         -DE/DX =    0.0                 !
 ! D44   D(8,7,11,84)         -177.6091         -DE/DX =    0.0                 !
 ! D45   D(7,8,9,10)             0.3663         -DE/DX =    0.0                 !
 ! D46   D(7,8,9,15)          -179.5562         -DE/DX =    0.0                 !
 ! D47   D(14,8,9,10)         -179.6711         -DE/DX =    0.0                 !
 ! D48   D(14,8,9,15)            0.4065         -DE/DX =    0.0                 !
 ! D49   D(7,8,14,13)            0.1431         -DE/DX =    0.0                 !
 ! D50   D(7,8,14,86)         -179.4192         -DE/DX =    0.0                 !
 ! D51   D(9,8,14,13)         -179.8196         -DE/DX =    0.0                 !
 ! D52   D(9,8,14,86)            0.6181         -DE/DX =    0.0                 !
 ! D53   D(8,9,10,4)            -0.4063         -DE/DX =    0.0                 !
 ! D54   D(8,9,10,18)          179.5669         -DE/DX =    0.0                 !
 ! D55   D(15,9,10,4)          179.5202         -DE/DX =    0.0                 !
 ! D56   D(15,9,10,18)          -0.5067         -DE/DX =    0.0                 !
 ! D57   D(8,9,15,16)         -179.7154         -DE/DX =    0.0                 !
 ! D58   D(8,9,15,80)            1.0215         -DE/DX =    0.0                 !
 ! D59   D(8,9,15,126)           1.3736         -DE/DX =    0.0                 !
 ! D60   D(10,9,15,16)           0.3596         -DE/DX =    0.0                 !
 ! D61   D(10,9,15,80)        -178.9034         -DE/DX =    0.0                 !
 ! D62   D(10,9,15,126)       -178.5513         -DE/DX =    0.0                 !
 ! D63   D(4,10,18,17)        -179.9443         -DE/DX =    0.0                 !
 ! D64   D(9,10,18,17)           0.0823         -DE/DX =    0.0                 !
 ! D65   D(7,11,12,13)          -0.1802         -DE/DX =    0.0                 !
 ! D66   D(7,11,12,24)         179.9789         -DE/DX =    0.0                 !
 ! D67   D(84,11,12,13)        177.898          -DE/DX =    0.0                 !
 ! D68   D(84,11,12,24)         -1.9429         -DE/DX =    0.0                 !
 ! D69   D(11,12,13,14)         -0.1066         -DE/DX =    0.0                 !
 ! D70   D(11,12,13,85)        178.2309         -DE/DX =    0.0                 !
 ! D71   D(24,12,13,14)        179.7341         -DE/DX =    0.0                 !
 ! D72   D(24,12,13,85)         -1.9285         -DE/DX =    0.0                 !
 ! D73   D(11,12,24,26)        144.4152         -DE/DX =    0.0                 !
 ! D74   D(11,12,24,30)        -35.6705         -DE/DX =    0.0                 !
 ! D75   D(13,12,24,26)        -35.4209         -DE/DX =    0.0                 !
 ! D76   D(13,12,24,30)        144.4935         -DE/DX =    0.0                 !
 ! D77   D(12,13,14,8)           0.1211         -DE/DX =    0.0                 !
 ! D78   D(12,13,14,86)        179.6936         -DE/DX =    0.0                 !
 ! D79   D(85,13,14,8)        -178.2366         -DE/DX =    0.0                 !
 ! D80   D(85,13,14,86)          1.336          -DE/DX =    0.0                 !
 ! D81   D(9,15,16,17)           0.1692         -DE/DX =    0.0                 !
 ! D82   D(9,15,16,19)        -179.9578         -DE/DX =    0.0                 !
 ! D83   D(80,15,16,17)        179.5039         -DE/DX =    0.0                 !
 ! D84   D(80,15,16,19)         -0.6232         -DE/DX =    0.0                 !
 ! D85   D(126,15,16,17)       179.301          -DE/DX =    0.0                 !
 ! D86   D(126,15,16,19)        -0.8261         -DE/DX =    0.0                 !
 ! D87   D(15,16,17,18)         -0.6142         -DE/DX =    0.0                 !
 ! D88   D(15,16,17,22)       -179.9847         -DE/DX =    0.0                 !
 ! D89   D(19,16,17,18)        179.5109         -DE/DX =    0.0                 !
 ! D90   D(19,16,17,22)          0.1403         -DE/DX =    0.0                 !
 ! D91   D(15,16,19,20)       -179.8433         -DE/DX =    0.0                 !
 ! D92   D(15,16,19,87)         -0.4488         -DE/DX =    0.0                 !
 ! D93   D(17,16,19,20)          0.0271         -DE/DX =    0.0                 !
 ! D94   D(17,16,19,87)        179.4216         -DE/DX =    0.0                 !
 ! D95   D(16,17,18,10)          0.4802         -DE/DX =    0.0                 !
 ! D96   D(22,17,18,10)        179.8476         -DE/DX =    0.0                 !
 ! D97   D(16,17,22,21)         -0.2448         -DE/DX =    0.0                 !
 ! D98   D(16,17,22,89)        178.0865         -DE/DX =    0.0                 !
 ! D99   D(18,17,22,21)       -179.6221         -DE/DX =    0.0                 !
 ! D100  D(18,17,22,89)         -1.2908         -DE/DX =    0.0                 !
 ! D101  D(16,19,20,21)         -0.0975         -DE/DX =    0.0                 !
 ! D102  D(16,19,20,88)        178.264          -DE/DX =    0.0                 !
 ! D103  D(87,19,20,21)       -179.4684         -DE/DX =    0.0                 !
 ! D104  D(87,19,20,88)         -1.1069         -DE/DX =    0.0                 !
 ! D105  D(19,20,21,22)         -0.0033         -DE/DX =    0.0                 !
 ! D106  D(19,20,21,25)        179.8809         -DE/DX =    0.0                 !
 ! D107  D(88,20,21,22)       -178.3637         -DE/DX =    0.0                 !
 ! D108  D(88,20,21,25)          1.5205         -DE/DX =    0.0                 !
 ! D109  D(20,21,22,17)          0.1768         -DE/DX =    0.0                 !
 ! D110  D(20,21,22,89)       -178.078          -DE/DX =    0.0                 !
 ! D111  D(25,21,22,17)       -179.7062         -DE/DX =    0.0                 !
 ! D112  D(25,21,22,89)          2.0391         -DE/DX =    0.0                 !
 ! D113  D(20,21,25,36)         35.3471         -DE/DX =    0.0                 !
 ! D114  D(20,21,25,40)       -144.8296         -DE/DX =    0.0                 !
 ! D115  D(22,21,25,36)       -144.7722         -DE/DX =    0.0                 !
 ! D116  D(22,21,25,40)         35.0511         -DE/DX =    0.0                 !
 ! D117  D(1,23,31,32)        -179.375          -DE/DX =    0.0                 !
 ! D118  D(1,23,31,94)          -2.0435         -DE/DX =    0.0                 !
 ! D119  D(35,23,31,32)          0.6754         -DE/DX =    0.0                 !
 ! D120  D(35,23,31,94)        178.0069         -DE/DX =    0.0                 !
 ! D121  D(1,23,35,34)        -179.6657         -DE/DX =    0.0                 !
 ! D122  D(1,23,35,97)          -2.473          -DE/DX =    0.0                 !
 ! D123  D(31,23,35,34)          0.2838         -DE/DX =    0.0                 !
 ! D124  D(31,23,35,97)        177.4765         -DE/DX =    0.0                 !
 ! D125  D(12,24,26,27)       -179.3509         -DE/DX =    0.0                 !
 ! D126  D(12,24,26,90)         -1.9666         -DE/DX =    0.0                 !
 ! D127  D(30,24,26,27)          0.7319         -DE/DX =    0.0                 !
 ! D128  D(30,24,26,90)        178.1162         -DE/DX =    0.0                 !
 ! D129  D(12,24,30,29)       -179.6004         -DE/DX =    0.0                 !
 ! D130  D(12,24,30,93)         -2.5752         -DE/DX =    0.0                 !
 ! D131  D(26,24,30,29)          0.3165         -DE/DX =    0.0                 !
 ! D132  D(26,24,30,93)        177.3417         -DE/DX =    0.0                 !
 ! D133  D(21,25,36,37)        179.0734         -DE/DX =    0.0                 !
 ! D134  D(21,25,36,98)          1.8402         -DE/DX =    0.0                 !
 ! D135  D(40,25,36,37)         -0.7553         -DE/DX =    0.0                 !
 ! D136  D(40,25,36,98)       -177.9885         -DE/DX =    0.0                 !
 ! D137  D(21,25,40,39)        179.9175         -DE/DX =    0.0                 !
 ! D138  D(21,25,40,101)         2.6504         -DE/DX =    0.0                 !
 ! D139  D(36,25,40,39)         -0.2536         -DE/DX =    0.0                 !
 ! D140  D(36,25,40,101)      -177.5207         -DE/DX =    0.0                 !
 ! D141  D(24,26,27,28)         -1.1216         -DE/DX =    0.0                 !
 ! D142  D(24,26,27,91)        177.5838         -DE/DX =    0.0                 !
 ! D143  D(90,26,27,28)       -178.5205         -DE/DX =    0.0                 !
 ! D144  D(90,26,27,91)          0.1849         -DE/DX =    0.0                 !
 ! D145  D(26,27,28,29)          0.4504         -DE/DX =    0.0                 !
 ! D146  D(26,27,28,42)       -179.4264         -DE/DX =    0.0                 !
 ! D147  D(91,27,28,29)       -178.2643         -DE/DX =    0.0                 !
 ! D148  D(91,27,28,42)          1.8588         -DE/DX =    0.0                 !
 ! D149  D(27,28,29,30)          0.583          -DE/DX =    0.0                 !
 ! D150  D(27,28,29,92)       -177.8659         -DE/DX =    0.0                 !
 ! D151  D(42,28,29,30)       -179.5401         -DE/DX =    0.0                 !
 ! D152  D(42,28,29,92)          2.011          -DE/DX =    0.0                 !
 ! D153  D(27,28,42,44)         52.0799         -DE/DX =    0.0                 !
 ! D154  D(27,28,42,47)       -127.9103         -DE/DX =    0.0                 !
 ! D155  D(29,28,42,44)       -127.7953         -DE/DX =    0.0                 !
 ! D156  D(29,28,42,47)         52.2144         -DE/DX =    0.0                 !
 ! D157  D(28,29,30,24)         -0.9744         -DE/DX =    0.0                 !
 ! D158  D(28,29,30,93)       -178.0169         -DE/DX =    0.0                 !
 ! D159  D(92,29,30,24)        177.4617         -DE/DX =    0.0                 !
 ! D160  D(92,29,30,93)          0.4191         -DE/DX =    0.0                 !
 ! D161  D(23,31,32,33)         -1.0344         -DE/DX =    0.0                 !
 ! D162  D(23,31,32,95)        177.6065         -DE/DX =    0.0                 !
 ! D163  D(94,31,32,33)       -178.3799         -DE/DX =    0.0                 !
 ! D164  D(94,31,32,95)          0.261          -DE/DX =    0.0                 !
 ! D165  D(31,32,33,34)          0.4217         -DE/DX =    0.0                 !
 ! D166  D(31,32,33,41)       -179.5067         -DE/DX =    0.0                 !
 ! D167  D(95,32,33,34)       -178.2302         -DE/DX =    0.0                 !
 ! D168  D(95,32,33,41)          1.8414         -DE/DX =    0.0                 !
 ! D169  D(32,33,34,35)          0.5234         -DE/DX =    0.0                 !
 ! D170  D(32,33,34,96)       -177.9871         -DE/DX =    0.0                 !
 ! D171  D(41,33,34,35)       -179.5482         -DE/DX =    0.0                 !
 ! D172  D(41,33,34,96)          1.9413         -DE/DX =    0.0                 !
 ! D173  D(32,33,41,48)       -127.2043         -DE/DX =    0.0                 !
 ! D174  D(32,33,41,51)         52.7558         -DE/DX =    0.0                 !
 ! D175  D(34,33,41,48)         52.8683         -DE/DX =    0.0                 !
 ! D176  D(34,33,41,51)       -127.1716         -DE/DX =    0.0                 !
 ! D177  D(33,34,35,23)         -0.8836         -DE/DX =    0.0                 !
 ! D178  D(33,34,35,97)       -178.0901         -DE/DX =    0.0                 !
 ! D179  D(96,34,35,23)        177.6145         -DE/DX =    0.0                 !
 ! D180  D(96,34,35,97)          0.408          -DE/DX =    0.0                 !
 ! D181  D(25,36,37,38)          1.1334         -DE/DX =    0.0                 !
 ! D182  D(25,36,37,99)       -177.5409         -DE/DX =    0.0                 !
 ! D183  D(98,36,37,38)        178.3905         -DE/DX =    0.0                 !
 ! D184  D(98,36,37,99)         -0.2838         -DE/DX =    0.0                 !
 ! D185  D(36,37,38,39)         -0.4882         -DE/DX =    0.0                 !
 ! D186  D(36,37,38,43)        179.3732         -DE/DX =    0.0                 !
 ! D187  D(99,37,38,39)        178.1955         -DE/DX =    0.0                 !
 ! D188  D(99,37,38,43)         -1.9431         -DE/DX =    0.0                 !
 ! D189  D(37,38,39,40)         -0.5067         -DE/DX =    0.0                 !
 ! D190  D(37,38,39,100)       177.9342         -DE/DX =    0.0                 !
 ! D191  D(43,38,39,40)        179.6318         -DE/DX =    0.0                 !
 ! D192  D(43,38,39,100)        -1.9273         -DE/DX =    0.0                 !
 ! D193  D(37,38,43,52)        128.2463         -DE/DX =    0.0                 !
 ! D194  D(37,38,43,55)        -51.8431         -DE/DX =    0.0                 !
 ! D195  D(39,38,43,52)        -51.8941         -DE/DX =    0.0                 !
 ! D196  D(39,38,43,55)        128.0164         -DE/DX =    0.0                 !
 ! D197  D(38,39,40,25)          0.884          -DE/DX =    0.0                 !
 ! D198  D(38,39,40,101)       178.1636         -DE/DX =    0.0                 !
 ! D199  D(100,39,40,25)      -177.5447         -DE/DX =    0.0                 !
 ! D200  D(100,39,40,101)       -0.265          -DE/DX =    0.0                 !
 ! D201  D(33,41,48,49)        179.9157         -DE/DX =    0.0                 !
 ! D202  D(33,41,48,68)          2.0253         -DE/DX =    0.0                 !
 ! D203  D(51,41,48,49)         -0.0503         -DE/DX =    0.0                 !
 ! D204  D(51,41,48,68)       -177.9407         -DE/DX =    0.0                 !
 ! D205  D(33,41,51,50)        179.9806         -DE/DX =    0.0                 !
 ! D206  D(33,41,51,67)          2.0832         -DE/DX =    0.0                 !
 ! D207  D(48,41,51,50)         -0.0534         -DE/DX =    0.0                 !
 ! D208  D(48,41,51,67)       -177.9508         -DE/DX =    0.0                 !
 ! D209  D(28,42,44,45)        179.9502         -DE/DX =    0.0                 !
 ! D210  D(28,42,44,60)          2.1192         -DE/DX =    0.0                 !
 ! D211  D(47,42,44,45)         -0.0582         -DE/DX =    0.0                 !
 ! D212  D(47,42,44,60)       -177.8891         -DE/DX =    0.0                 !
 ! D213  D(28,42,47,46)        179.9432         -DE/DX =    0.0                 !
 ! D214  D(28,42,47,59)          2.1247         -DE/DX =    0.0                 !
 ! D215  D(44,42,47,46)         -0.0485         -DE/DX =    0.0                 !
 ! D216  D(44,42,47,59)       -177.8669         -DE/DX =    0.0                 !
 ! D217  D(38,43,52,53)        179.9843         -DE/DX =    0.0                 !
 ! D218  D(38,43,52,76)         -2.2392         -DE/DX =    0.0                 !
 ! D219  D(55,43,52,53)          0.0607         -DE/DX =    0.0                 !
 ! D220  D(55,43,52,76)        177.8372         -DE/DX =    0.0                 !
 ! D221  D(38,43,55,54)       -179.8756         -DE/DX =    0.0                 !
 ! D222  D(38,43,55,75)         -2.0757         -DE/DX =    0.0                 !
 ! D223  D(52,43,55,54)          0.048          -DE/DX =    0.0                 !
 ! D224  D(52,43,55,75)        177.8478         -DE/DX =    0.0                 !
 ! D225  D(42,44,45,46)          0.1388         -DE/DX =    0.0                 !
 ! D226  D(42,44,45,63)       -179.2056         -DE/DX =    0.0                 !
 ! D227  D(60,44,45,46)        178.1756         -DE/DX =    0.0                 !
 ! D228  D(60,44,45,63)         -1.1687         -DE/DX =    0.0                 !
 ! D229  D(42,44,60,61)        178.722          -DE/DX =    0.0                 !
 ! D230  D(42,44,60,106)        -0.819          -DE/DX =    0.0                 !
 ! D231  D(45,44,60,61)          1.1299         -DE/DX =    0.0                 !
 ! D232  D(45,44,60,106)      -178.4111         -DE/DX =    0.0                 !
 ! D233  D(44,45,46,47)         -0.1655         -DE/DX =    0.0                 !
 ! D234  D(44,45,46,56)        179.0348         -DE/DX =    0.0                 !
 ! D235  D(63,45,46,47)        179.0484         -DE/DX =    0.0                 !
 ! D236  D(63,45,46,56)         -1.7513         -DE/DX =    0.0                 !
 ! D237  D(44,45,63,62)          0.3564         -DE/DX =    0.0                 !
 ! D238  D(44,45,63,109)      -179.9542         -DE/DX =    0.0                 !
 ! D239  D(46,45,63,62)       -178.7791         -DE/DX =    0.0                 !
 ! D240  D(46,45,63,109)         0.9104         -DE/DX =    0.0                 !
 ! D241  D(45,46,47,42)          0.1329         -DE/DX =    0.0                 !
 ! D242  D(45,46,47,59)        178.1596         -DE/DX =    0.0                 !
 ! D243  D(56,46,47,42)       -179.2003         -DE/DX =    0.0                 !
 ! D244  D(56,46,47,59)         -1.1735         -DE/DX =    0.0                 !
 ! D245  D(45,46,56,57)       -178.7549         -DE/DX =    0.0                 !
 ! D246  D(45,46,56,102)         0.9109         -DE/DX =    0.0                 !
 ! D247  D(47,46,56,57)          0.3655         -DE/DX =    0.0                 !
 ! D248  D(47,46,56,102)      -179.9687         -DE/DX =    0.0                 !
 ! D249  D(42,47,59,58)        178.7029         -DE/DX =    0.0                 !
 ! D250  D(42,47,59,105)        -0.7954         -DE/DX =    0.0                 !
 ! D251  D(46,47,59,58)          1.1238         -DE/DX =    0.0                 !
 ! D252  D(46,47,59,105)      -178.3745         -DE/DX =    0.0                 !
 ! D253  D(41,48,49,50)          0.1311         -DE/DX =    0.0                 !
 ! D254  D(41,48,49,71)       -179.2198         -DE/DX =    0.0                 !
 ! D255  D(68,48,49,50)        178.2219         -DE/DX =    0.0                 !
 ! D256  D(68,48,49,71)         -1.129          -DE/DX =    0.0                 !
 ! D257  D(41,48,68,69)        178.7345         -DE/DX =    0.0                 !
 ! D258  D(41,48,68,114)        -0.797          -DE/DX =    0.0                 !
 ! D259  D(49,48,68,69)          1.076          -DE/DX =    0.0                 !
 ! D260  D(49,48,68,114)      -178.4555         -DE/DX =    0.0                 !
 ! D261  D(48,49,50,51)         -0.1609         -DE/DX =    0.0                 !
 ! D262  D(48,49,50,64)        179.0711         -DE/DX =    0.0                 !
 ! D263  D(71,49,50,51)        179.0605         -DE/DX =    0.0                 !
 ! D264  D(71,49,50,64)         -1.7075         -DE/DX =    0.0                 !
 ! D265  D(48,49,71,70)          0.3577         -DE/DX =    0.0                 !
 ! D266  D(48,49,71,117)      -179.9621         -DE/DX =    0.0                 !
 ! D267  D(50,49,71,70)       -178.786          -DE/DX =    0.0                 !
 ! D268  D(50,49,71,117)         0.8942         -DE/DX =    0.0                 !
 ! D269  D(49,50,51,41)          0.133          -DE/DX =    0.0                 !
 ! D270  D(49,50,51,67)        178.23           -DE/DX =    0.0                 !
 ! D271  D(64,50,51,41)       -179.2267         -DE/DX =    0.0                 !
 ! D272  D(64,50,51,67)         -1.1298         -DE/DX =    0.0                 !
 ! D273  D(49,50,64,65)       -178.8021         -DE/DX =    0.0                 !
 ! D274  D(49,50,64,110)         0.8848         -DE/DX =    0.0                 !
 ! D275  D(51,50,64,65)          0.3533         -DE/DX =    0.0                 !
 ! D276  D(51,50,64,110)      -179.9599         -DE/DX =    0.0                 !
 ! D277  D(41,51,67,66)        178.748          -DE/DX =    0.0                 !
 ! D278  D(41,51,67,113)        -0.7888         -DE/DX =    0.0                 !
 ! D279  D(50,51,67,66)          1.0819         -DE/DX =    0.0                 !
 ! D280  D(50,51,67,113)      -178.4549         -DE/DX =    0.0                 !
 ! D281  D(43,52,53,54)         -0.1424         -DE/DX =    0.0                 !
 ! D282  D(43,52,53,79)        179.1794         -DE/DX =    0.0                 !
 ! D283  D(76,52,53,54)       -178.1309         -DE/DX =    0.0                 !
 ! D284  D(76,52,53,79)          1.1909         -DE/DX =    0.0                 !
 ! D285  D(43,52,76,77)       -178.6809         -DE/DX =    0.0                 !
 ! D286  D(43,52,76,122)         0.8119         -DE/DX =    0.0                 !
 ! D287  D(53,52,76,77)         -1.1488         -DE/DX =    0.0                 !
 ! D288  D(53,52,76,122)       178.344          -DE/DX =    0.0                 !
 ! D289  D(52,53,54,55)          0.1689         -DE/DX =    0.0                 !
 ! D290  D(52,53,54,72)       -179.0358         -DE/DX =    0.0                 !
 ! D291  D(79,53,54,55)       -179.0182         -DE/DX =    0.0                 !
 ! D292  D(79,53,54,72)          1.7772         -DE/DX =    0.0                 !
 ! D293  D(52,53,79,78)         -0.3639         -DE/DX =    0.0                 !
 ! D294  D(52,53,79,125)       179.9676         -DE/DX =    0.0                 !
 ! D295  D(54,53,79,78)        178.7419         -DE/DX =    0.0                 !
 ! D296  D(54,53,79,125)        -0.9266         -DE/DX =    0.0                 !
 ! D297  D(53,54,55,43)         -0.1346         -DE/DX =    0.0                 !
 ! D298  D(53,54,55,75)       -178.144          -DE/DX =    0.0                 !
 ! D299  D(72,54,55,43)        179.2018         -DE/DX =    0.0                 !
 ! D300  D(72,54,55,75)          1.1924         -DE/DX =    0.0                 !
 ! D301  D(53,54,72,73)        178.7606         -DE/DX =    0.0                 !
 ! D302  D(53,54,72,118)        -0.9205         -DE/DX =    0.0                 !
 ! D303  D(55,54,72,73)         -0.3647         -DE/DX =    0.0                 !
 ! D304  D(55,54,72,118)       179.9543         -DE/DX =    0.0                 !
 ! D305  D(43,55,75,74)       -178.7083         -DE/DX =    0.0                 !
 ! D306  D(43,55,75,121)         0.8098         -DE/DX =    0.0                 !
 ! D307  D(54,55,75,74)         -1.1507         -DE/DX =    0.0                 !
 ! D308  D(54,55,75,121)       178.3674         -DE/DX =    0.0                 !
 ! D309  D(46,56,57,58)          0.4386         -DE/DX =    0.0                 !
 ! D310  D(46,56,57,103)      -179.9261         -DE/DX =    0.0                 !
 ! D311  D(102,56,57,58)      -179.2265         -DE/DX =    0.0                 !
 ! D312  D(102,56,57,103)        0.4087         -DE/DX =    0.0                 !
 ! D313  D(56,57,58,59)         -0.4794         -DE/DX =    0.0                 !
 ! D314  D(56,57,58,104)       179.284          -DE/DX =    0.0                 !
 ! D315  D(103,57,58,59)       179.8844         -DE/DX =    0.0                 !
 ! D316  D(103,57,58,104)       -0.3522         -DE/DX =    0.0                 !
 ! D317  D(57,58,59,47)         -0.3015         -DE/DX =    0.0                 !
 ! D318  D(57,58,59,105)       179.1994         -DE/DX =    0.0                 !
 ! D319  D(104,58,59,47)       179.9342         -DE/DX =    0.0                 !
 ! D320  D(104,58,59,105)       -0.5649         -DE/DX =    0.0                 !
 ! D321  D(44,60,61,62)         -0.315          -DE/DX =    0.0                 !
 ! D322  D(44,60,61,107)       179.8814         -DE/DX =    0.0                 !
 ! D323  D(106,60,61,62)       179.2289         -DE/DX =    0.0                 !
 ! D324  D(106,60,61,107)       -0.5747         -DE/DX =    0.0                 !
 ! D325  D(60,61,62,63)         -0.4694         -DE/DX =    0.0                 !
 ! D326  D(60,61,62,108)       179.8648         -DE/DX =    0.0                 !
 ! D327  D(107,61,62,63)       179.3333         -DE/DX =    0.0                 !
 ! D328  D(107,61,62,108)       -0.3325         -DE/DX =    0.0                 !
 ! D329  D(61,62,63,45)          0.4403         -DE/DX =    0.0                 !
 ! D330  D(61,62,63,109)      -179.2486         -DE/DX =    0.0                 !
 ! D331  D(108,62,63,45)      -179.8949         -DE/DX =    0.0                 !
 ! D332  D(108,62,63,109)        0.4162         -DE/DX =    0.0                 !
 ! D333  D(50,64,65,66)          0.4187         -DE/DX =    0.0                 !
 ! D334  D(50,64,65,111)      -179.9148         -DE/DX =    0.0                 !
 ! D335  D(110,64,65,66)      -179.2676         -DE/DX =    0.0                 !
 ! D336  D(110,64,65,111)        0.3989         -DE/DX =    0.0                 !
 ! D337  D(64,65,66,67)         -0.4576         -DE/DX =    0.0                 !
 ! D338  D(64,65,66,112)       179.3366         -DE/DX =    0.0                 !
 ! D339  D(111,65,66,67)       179.875          -DE/DX =    0.0                 !
 ! D340  D(111,65,66,112)       -0.3308         -DE/DX =    0.0                 !
 ! D341  D(65,66,67,51)         -0.2922         -DE/DX =    0.0                 !
 ! D342  D(65,66,67,113)       179.2471         -DE/DX =    0.0                 !
 ! D343  D(112,66,67,51)       179.9128         -DE/DX =    0.0                 !
 ! D344  D(112,66,67,113)       -0.5479         -DE/DX =    0.0                 !
 ! D345  D(48,68,69,70)         -0.2859         -DE/DX =    0.0                 !
 ! D346  D(48,68,69,115)       179.9306         -DE/DX =    0.0                 !
 ! D347  D(114,68,69,70)       179.2479         -DE/DX =    0.0                 !
 ! D348  D(114,68,69,115)       -0.5355         -DE/DX =    0.0                 !
 ! D349  D(68,69,70,71)         -0.4591         -DE/DX =    0.0                 !
 ! D350  D(68,69,70,116)       179.8788         -DE/DX =    0.0                 !
 ! D351  D(115,69,70,71)       179.3236         -DE/DX =    0.0                 !
 ! D352  D(115,69,70,116)       -0.3386         -DE/DX =    0.0                 !
 ! D353  D(69,70,71,49)          0.4147         -DE/DX =    0.0                 !
 ! D354  D(69,70,71,117)      -179.265          -DE/DX =    0.0                 !
 ! D355  D(116,70,71,49)      -179.9241         -DE/DX =    0.0                 !
 ! D356  D(116,70,71,117)        0.3963         -DE/DX =    0.0                 !
 ! D357  D(54,72,73,74)         -0.4495         -DE/DX =    0.0                 !
 ! D358  D(54,72,73,119)       179.8981         -DE/DX =    0.0                 !
 ! D359  D(118,72,73,74)       179.2309         -DE/DX =    0.0                 !
 ! D360  D(118,72,73,119)       -0.4214         -DE/DX =    0.0                 !
 ! D361  D(72,73,74,75)          0.4815         -DE/DX =    0.0                 !
 ! D362  D(72,73,74,120)      -179.3129         -DE/DX =    0.0                 !
 ! D363  D(119,73,74,75)      -179.8652         -DE/DX =    0.0                 !
 ! D364  D(119,73,74,120)        0.3404         -DE/DX =    0.0                 !
 ! D365  D(73,74,75,55)          0.318          -DE/DX =    0.0                 !
 ! D366  D(73,74,75,121)      -179.2031         -DE/DX =    0.0                 !
 ! D367  D(120,74,75,55)      -179.8867         -DE/DX =    0.0                 !
 ! D368  D(120,74,75,121)        0.5921         -DE/DX =    0.0                 !
 ! D369  D(52,76,77,78)          0.3162         -DE/DX =    0.0                 !
 ! D370  D(52,76,77,123)      -179.9076         -DE/DX =    0.0                 !
 ! D371  D(122,76,77,78)      -179.1796         -DE/DX =    0.0                 !
 ! D372  D(122,76,77,123)        0.5966         -DE/DX =    0.0                 !
 ! D373  D(76,77,78,79)          0.4828         -DE/DX =    0.0                 !
 ! D374  D(76,77,78,124)      -179.879          -DE/DX =    0.0                 !
 ! D375  D(123,77,78,79)      -179.2925         -DE/DX =    0.0                 !
 ! D376  D(123,77,78,124)        0.3457         -DE/DX =    0.0                 !
 ! D377  D(77,78,79,53)         -0.4502         -DE/DX =    0.0                 !
 ! D378  D(77,78,79,125)       179.2177         -DE/DX =    0.0                 !
 ! D379  D(124,78,79,53)       179.9125         -DE/DX =    0.0                 !
 ! D380  D(124,78,79,125)       -0.4196         -DE/DX =    0.0                 !
 --------------------------------------------------------------------------------
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad


 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.305660D+01      0.776911D+01      0.259150D+02
   x         -0.931177D+00     -0.236682D+01     -0.789485D+01
   y          0.289165D+01      0.734983D+01      0.245164D+02
   z         -0.337806D+00     -0.858618D+00     -0.286404D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.110070D+04      0.163107D+03      0.181482D+03
   aniso      0.129196D+04      0.191449D+03      0.213016D+03
   xx         0.175650D+04      0.260286D+03      0.289607D+03
   yx         0.181175D+03      0.268473D+02      0.298717D+02
   yy         0.118077D+04      0.174972D+03      0.194683D+03
   zx         0.993115D+02      0.147164D+02      0.163742D+02
   zy        -0.157223D+03     -0.232981D+02     -0.259226D+02
   zz         0.364843D+03      0.540641D+02      0.601544D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6         -5.31189764          1.44853581          7.66183865
     6         -6.01248805          1.63442545          5.12494893
     6         -4.36252661          1.00395935          3.13759940
     6         -1.91438135          0.13798863          3.76853809
     6         -1.19903407         -0.05992039          6.32256199
     6         -2.85556846          0.58240889          8.23368004
     6         -5.11091770          1.19512456          0.46374582
     6         -3.38632339          0.53114841         -1.49876808
     6         -0.87175293         -0.34176553         -0.83305627
     6         -0.12657293         -0.55115066          1.78428926
     6         -7.52307339          2.04985395         -0.23143876
     6         -8.29708047          2.25701791         -2.74804283
     6         -6.56148550          1.57959228         -4.64937500
     6         -4.16618109          0.74014203         -4.04318710
     7          0.85451988         -0.98306190         -2.58468006
     6          3.21316108         -1.81342005         -1.95404639
     6          3.83692348         -2.00335136          0.66159081
     7          2.14632535         -1.35589385          2.46179586
     6          5.01337346         -2.48099824         -3.81631201
     6          7.35206753         -3.30893580         -3.04835867
     6          8.04050445         -3.51912934         -0.44165451
     6          6.27131843         -2.85906069          1.36870699
     6         -7.10491821          2.13880103          9.70094365
     6        -10.86343473          3.16827095         -3.39224438
     6         10.58865290         -4.42809949          0.27724421
     6        -11.27730047          4.66672434         -5.54643217
     6        -13.67687749          5.55123315         -6.15119254
     6        -15.75341643          4.92163476         -4.63256174
     6        -15.37412231          3.40753158         -2.49270364
     6        -12.96176062          2.56471514         -1.87924285
     6         -7.18202635          0.76898947         11.97484142
     6         -8.87602207          1.39085338         13.88630439
     6        -10.52549674          3.44123812         13.59153573
     6        -10.45460415          4.83979069         11.34401495
     6         -8.78006646          4.18148773          9.42767905
     6         12.72429466         -3.82150063         -1.18065432
     6         15.12378632         -4.64237296         -0.49012658
     6         15.45196875         -6.14085444          1.66858922
     6         13.33508539         -6.78126509          3.12712176
     6         10.94849356         -5.92025501          2.44506182
     7        -12.23995957          4.09358993         15.54061325
     7        -18.20346639          5.79890895         -5.25367201
     7         17.88667927         -7.00129301          2.36465486
     6        -19.39630131          5.53637720         -7.60642344
     6        -21.82670536          6.65505655         -7.47677916
     6        -22.11572987          7.64198823         -4.94060238
     6        -19.85250751          7.07934889         -3.62200991
     6        -14.85596603          4.41008576         15.26327729
     6        -15.90978457          5.05336728         17.64081293
     6        -13.84261269          5.13525539         19.43240592
     6        -11.61185026          4.53167157         18.07730478
     6         19.00295549         -6.73185487          4.75366620
     6         21.44323413         -7.83545489          4.70065251
     6         21.81838644         -8.82025342          2.17484142
     6         19.59529081         -8.27189116          0.78498134
     6        -24.05283109          8.95341594         -3.70729918
     6        -23.70996868          9.69335223         -1.20708501
     6        -21.44288075          9.14868003          0.06215607
     6        -19.48527275          7.84473729         -1.12124413
     6        -18.54365938          4.33480174         -9.79807198
     6        -20.14972728          4.30846634        -11.88415654
     6        -22.55175638          5.43596061        -11.79773958
     6        -23.40256891          6.60250187         -9.60004655
     6        -13.69203531          5.68376202         22.01517515
     6        -11.34474442          5.63849389         23.19983887
     6         -9.14858240          5.06652075         21.82210725
     6         -9.24573685          4.51242318         19.24999134
     6        -16.36766916          4.10464643         13.11956565
     6        -18.95816355          4.49642955         13.38075226
     6        -20.02931508          5.16481063         15.71618018
     6        -18.51794773          5.43742291         17.85086004
     6         23.80229393        -10.11943793          1.00436235
     6         23.54345178        -10.86101777         -1.50523138
     6         21.31433605        -10.33077422         -2.84588648
     6         19.31163685         -9.03962066         -1.72577877
     6         18.07574040         -5.53463039          6.91720990
     6         19.61552689         -5.49769940          9.05279641
     6         22.02548124         -6.61081139          9.04201390
     6         22.95131341         -7.77266433          6.87205971
     1          0.52615451         -0.87396451         -4.67074578
     1         -7.92201129          2.23679664          4.70823980
     1          0.69406686         -0.71110383          6.74981861
     1         -2.24660235          0.46828570         10.18840807
     1         -8.83991986          2.63458676          1.21943561
     1         -7.11179447          1.66350204         -6.62215674
     1         -2.89581149          0.22976601         -5.57522581
     1          4.48891120         -2.33781726         -5.79524011
     1          8.71273108         -3.87171933         -4.47509128
     1          6.69966933         -2.92246855          3.37105649
     1         -9.68803474          5.21421622         -6.72159298
     1        -13.94868044          6.76603934         -7.77934332
     1        -16.98302977          2.85958396         -1.34723515
     1        -12.71866596          1.34345272         -0.24884757
     1         -5.95544707         -0.85689331         12.22041731
     1         -8.95950464          0.26779106         15.59891621
     1        -11.68315593          6.46648299         11.12972948
     1         -8.71344838          5.32492455          7.72560183
     1         12.52374907         -2.62147578         -2.83209829
     1         16.75957425         -4.09347439         -1.59603386
     1         13.56711769         -7.99282771          4.76380007
     1          9.32619289         -6.48386828          3.56683021
     1        -25.79692417          9.39589919         -4.69497403
     1        -25.19966067         10.70969402         -0.22931345
     1        -21.20164266          9.76080544          2.00610184
     1        -17.73336466          7.45487169         -0.13313120
     1        -16.70320556          3.43846937         -9.87807991
     1        -19.52674699          3.38907942        -13.60972533
     1        -23.75469598          5.38532521        -13.45858086
     1        -25.26894411          7.45372953         -9.52731248
     1        -15.38625560          6.14806957         23.07686330
     1        -11.20349973          6.05794117         25.20287407
     1         -7.33129877          5.06050959         22.77548896
     1         -7.53730728          4.09578376         18.19862317
     1        -15.56179940          3.56697373         11.31422633
     1        -20.17128718          4.27223809         11.74073541
     1        -22.05459733          5.46000354         15.85427956
     1        -19.35047860          5.93222890         19.66060824
     1         25.51694931        -10.55064900          2.04699030
     1         25.06992778        -11.86714940         -2.43554401
     1         21.13878401        -10.94312644         -4.79658847
     1         17.59040813         -8.66173786         -2.77061202
     1         16.22888400         -4.64806771          6.93815794
     1         18.93408526         -4.58064217         10.75752243
     1         23.17616671         -6.55220785         10.73922769
     1         24.82439361         -8.61195900          6.85778192
    17          0.56991288         -0.88072610         -8.10409127

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.305660D+01      0.776911D+01      0.259150D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.305660D+01      0.776911D+01      0.259150D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.110070D+04      0.163107D+03      0.181482D+03
   aniso      0.129196D+04      0.191449D+03      0.213016D+03
   xx         0.164415D+04      0.243638D+03      0.271084D+03
   yx        -0.465452D+03     -0.689729D+02     -0.767427D+02
   yy         0.498589D+03      0.738833D+02      0.822063D+02
   zx         0.352406D+01      0.522212D+00      0.581040D+00
   zy         0.952513D+02      0.141148D+02      0.157048D+02
   zz         0.115937D+04      0.171801D+03      0.191154D+03

 ----------------------------------------------------------------------
 1\1\GINC-W1503\Freq\RB3LYP\6-31G(d,p)\C74H46Cl1N5\SC70848\21-Jun-2022\
 0\\#N Geom=AllCheck Guess=TCheck SCRF=Check GenChk RB3LYP/6-31G(d,p) F
 req\\Title Card Required\\0,1\C,-4.0101232221,2.9573863786,-0.31691625
 35\C,-3.9664310271,1.5720648537,-0.1486683134\C,-2.759311403,0.8685080
 405,0.0171894247\C,-1.5548643168,1.609521017,0.0191438601\C,-1.5925116
 825,3.0066813268,-0.1464679802\C,-2.7921587414,3.6699540979,-0.3127467
 667\C,-2.7174447226,-0.5924866425,0.1985123678\C,-1.4735334131,-1.2699
 189753,0.3676617747\C,-0.2415255175,-0.5016624136,0.3603500149\C,-0.27
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 OUR LITTLE SYSTEMS HAVE THEIR DAY,    
   THEY HAVE THEIR DAY AND CEASE TO BE.
   THEY ARE BUT BROKEN LIGHTS OF THEE, 
 AND THOU, OH LORD, ART MORE THAN THEY.
          -------------------          
 LET KNOWLEDGE GROW FROM MORE TO MORE, 
   BUT MORE OF REVERENCE IN US DWELL.  
   THAT MIND AND SOUL, ACCORDING WELL, 
 MAY MAKE ONE MUSIC AS BEFORE.....     
          -------------------          
                    LORD TENNYSON      
 Job cpu time:       1 days 11 hours 28 minutes 43.8 seconds.
 Elapsed time:       0 days  0 hours 33 minutes 21.2 seconds.
 File lengths (MBytes):  RWF=  25110 Int=      0 D2E=      0 Chk=    171 Scr=      1
 Normal termination of Gaussian 16 at Tue Jun 21 11:06:22 2022.
